Model name: model_name=MEAM_LAMMPS_KimKimLee_2009_AlMg__MO_058537087384_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650822877884
cohesive_energy=3.3602642806077516
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.06278639450866e-19, 2.6524835264187e-19, 3.0828281703111e-19, 3.42542159995932e-19, 3.7098079524943198e-19, 3.94765107381162e-19, 4.1539633589717995e-19, 4.3350093186138e-19, 4.49357674008078e-19, 4.63291804193976e-19, 4.755500576207099e-19, 4.86327899837628e-19, 4.95782344154862e-19, 5.040431668797659e-19, 5.1121450949355e-19, 5.17389298240986e-19, 5.22644437600506e-19, 5.2704401463747e-19, 5.3064891206397e-19, 5.335087973556599e-19, 5.356685314582919e-19, 5.371681687877159e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.37030381597192e-19, 5.35229535060576e-19, 5.32472189073462e-19, 5.285869107360119e-19, 5.23362212732538e-19, 5.16548155508136e-19, 5.078355189724439e-19, 4.968542003230079e-19, 4.831459770425039e-19, 4.661420764258619e-19, 4.45142347284024e-19, 4.19262388115022e-19, 3.87383879628324e-19, 3.48079282443036e-19, 2.9950288907678997e-19, 2.3924502587205e-19, 1.6410935044398598e-19, 6.98005874545074e-20, -4.955259958934219e-20, -2.02137012851976e-19, -3.99602078639208e-19, -6.58964034327762e-19, -1.005825662528958e-18, -1.4800314939537417e-18, -2.1462758189064e-18, -3.11512805125254e-18, -4.58810516148678e-18, -6.96430934913852e-18, -1.112867083446498e-17]
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: 0.012680026309792609
Energy: 0.32208067032187115
Energy: 0.3215942300494096
Energy: 0.5876730993406226
Energy: 0.6093631998690531
Energy: 0.254841436961
Energy: 0.013233785216496492
Energy: 0.06633840608668581
Energy: 0.6062942779423216
Energy: 0.2945843973409705
Energy: 0.32179438078907074
Energy: 0.32152784915463384
Energy: 0.013273589893056013
Energy: 0.06688648981563601
Energy: 0.01391191661446332
Energy: 0.44989780679925917
Energy: 0.5929145569540156
Energy: 0.3215542036328604
Energy: 0.3214644074216138
Energy: 0.06594953505070217
Energy: 0.0678614969829206
Energy: 0.014535409895902306
Energy: 0.32256659086262474
Energy: 0.5009487107956315
Energy: 0.5876172283205204
Energy: 0.6097389268642711
Energy: 0.06589052315617594
Energy: 0.01311700086627498
Energy: 0.32952305656913045
Energy: 0.6058835414272379
Energy: 0.2961862650064947
Energy: 0.3215097296429846
Energy: 0.3215276186603771
Energy: 0.013317690185720623
Energy: 0.06592858150113809
Energy: 0.012881429905848438
Energy: 0.32157134181973385
Energy: 0.5935757226786599
Energy: 0.5023373714750614
Energy: 0.43332790237339136
Energy: 0.06594246902276786
Energy: 0.06735098354758358

minimum gb energy = 0.012680026309792609 eV
minimum distance =  2.83404874857058 Angstroms
sigma value = 5


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

Energy: 0.6983818406181422
Energy: 0.7711941663754667
Energy: 0.7202805148922617
Energy: 0.7156837761395881
Energy: 0.7557680027804474
Energy: 0.7471210637652115
Energy: 0.7220090535161786
Energy: 0.6423507877774582
Energy: 0.6905326822509291
Energy: 0.686974484320203
Energy: 0.68649331230396
Energy: 0.6999429824151042
Energy: 0.665127056573601
Energy: 0.6789625204518805
Energy: 0.7298296910619934
Energy: 0.6954505917985471
Energy: 0.728969166375001
Energy: 0.6695102264596856
Energy: 0.6934532860645309
Energy: 0.7298767768011186
Energy: 0.6833597738430263
Energy: 0.6287292509838286
Energy: 0.7145140131359091
Energy: 0.6673771790225441
Energy: 0.7235091093939344
Energy: 0.7288108102797295
Energy: 0.6729649243802914
Energy: 0.7038708543664268
Energy: 0.7199633529575207
Energy: 0.793116465262922
Energy: 0.6958829492160278
Energy: 0.7098127756557056
Energy: 0.7213098368886277
Energy: 0.7363180805646059
Energy: 0.7397294132162157
Energy: 0.6573125191095142
Energy: 0.7546796425173271
Energy: 0.6655003942274992
Energy: 0.6889593356712379
Energy: 0.7397087916018088
Energy: 0.6490410017566208
Energy: 0.7391766149719061
Energy: 0.7527039447382008
Energy: 0.6880140548958598
Energy: 0.7057720686351598
Energy: 0.6804833986620611
Energy: 0.7092604746478748
Energy: 0.6910165240359736
Energy: 0.7118215047861299
Energy: 0.6663521782145597
Energy: 0.6970444895107529
Energy: 0.7115067486764538
Energy: 0.6976185115545318
Energy: 0.7279082912518644
Energy: 0.6658149523463756
Energy: 0.6812711807571785
Energy: 0.6973217397951265
Energy: 0.7274752129499842
Energy: 0.7030748130174199
Energy: 0.7025456750229604
Energy: 0.6943224384334817
Energy: 0.6928198592837789
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Energy: 0.752988760322832
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Energy: 0.7082838410849239
Energy: 0.6851728797022737
Energy: 0.760864090748712
Energy: 0.6719240117263009
Energy: 0.6289779856668486
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Energy: 0.7638286219758721
Energy: 0.7237411564613964
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Energy: 0.6558458454655545
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Energy: 0.7015974874711877
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Energy: 0.7510830531851888
Energy: 0.6613604512973804
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Energy: 0.7015939890850089
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Energy: 0.6998441451334488
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Energy: 0.7296316458677099
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Energy: 0.7536999023830458
Energy: 0.6718656082108487
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Energy: 0.7191061235312046
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Energy: 0.7694074020832541
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Energy: 0.7165923675802767
Energy: 0.6689406163156096
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Energy: 0.7540092929169122
Energy: 0.6715335149614072
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Energy: 0.6770527577784797
Energy: 0.7031416823135123
Energy: 0.6900038135970216
Energy: 0.7035529061665108
Energy: 0.7063761857979943
Energy: 0.7424351696774382
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Energy: 0.6883815556510615
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Energy: 0.704671505280783
Energy: 0.6411452260052516
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Energy: 0.6902396409195889
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Energy: 0.7067197480600627
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Energy: 0.7255900900971618
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Energy: 0.7223597838693729
Energy: 0.761536662751583
Energy: 0.6387885916306228
Energy: 0.7598003727164097
Energy: 0.666840907834448
Energy: 0.7085672454167837
Energy: 0.7016198477926797
Energy: 0.6528289980507449
Energy: 0.6661002414931819
Energy: 0.682355655879339
Energy: 0.7003742111500036
Energy: 0.7305853935346426
Energy: 0.6963326345357933
Energy: 0.7155853970225743
Energy: 0.7308700999487178
Energy: 0.691321229775556
Energy: 0.6297748023622511
Energy: 0.6933194843222404
Energy: 0.6773371591996282
Energy: 0.7216198212860494
Energy: 0.727717460558417
Energy: 0.6728968819310989
Energy: 0.6750229798108125
Energy: 0.6590202945557565
Energy: 0.7769249634885672
Energy: 0.6906833411411358
Energy: 0.6943200252471757
Energy: 0.7446035129747275
Energy: 0.6836988425791696
Energy: 0.7016932822580763
Energy: 0.6577877774385543
Energy: 0.7572495359895659
Energy: 0.6900459338101065
Energy: 0.6922876190503596
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Energy: 0.7270886243601319
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Energy: 0.6829399262875652
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Energy: 0.6757408624541467
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Energy: 0.7036051679498735
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Energy: 0.6876102859246835
Energy: 0.6773817633410252
Energy: 0.7470272234188963
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Energy: 0.7136546169954215
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Energy: 0.6486113996184102
Energy: 0.7428287208459984
Energy: 0.7192464592325276
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Energy: 0.7117459312957687
Energy: 0.7162154961987622
Energy: 0.7043083595399878
Energy: 0.7168776368557709
Energy: 0.7048047346459344
Energy: 0.6722339955775949
Energy: 0.6578945124605685
Energy: 0.6776515714204671
Energy: 0.7046998653041361
Energy: 0.6897054407787652
Energy: 0.703074932631398
Energy: 0.6381471355930319
Energy: 0.7411441935890244
Energy: 0.7071424577141526
Energy: 0.6842793602285997
Energy: 0.6685883981293178
Energy: 0.7182390673051483
Energy: 0.7331585016032457
Energy: 0.743152494604052
Energy: 0.6640600681224392
Energy: 0.6938495483646409
Energy: 0.6433016871840347
Energy: 0.7170039176159861
Energy: 0.7081387850744851
Energy: 0.6387673004392171
Energy: 0.7198923004130703
Energy: 0.7318782247558047
Energy: 0.7588942126574604
Energy: 0.7016615990975402
Energy: 0.7026201246761415
Energy: 0.6922035610208711
Energy: 0.7140149935434609
Energy: 0.6910291267548199
Energy: 0.6305267835582182
Energy: 0.6618065113160345
Energy: 0.6593650616405606
Energy: 0.7195361544767458
Energy: 0.7542386684969559
Energy: 0.6518775464797989
Energy: 0.7541674824892818
Energy: 0.7018273221477511
Energy: 0.6718749913179114
Energy: 0.7078132969542149
Energy: 0.660668860578453
Energy: 0.682394580559975
Energy: 0.7311099589380204
Energy: 0.6424655930635638
Energy: 0.6352805814924148
Energy: 0.6833359857028278
Energy: 0.647428618181538
Energy: 0.7752784061569729
Energy: 0.70090783683731
Energy: 0.6788967377799559
Energy: 0.6815585896500125
Energy: 0.6715219762631782
Energy: 0.7550135539863793
Energy: 0.7272252362900355
Energy: 0.7081727504033055
Energy: 0.7350458438862082
Energy: 0.6878909050860071
Energy: 0.7597158816676142

minimum gb energy = 0.612953092178423 eV
minimum distance =  2.53604261536624 Angstroms
sigma value = 401


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

Energy: 0.6992136945324045
Energy: 0.7846589234800286
Energy: 0.7247364216004306
Energy: 0.7909703650266878
Energy: 0.803985467471546
Energy: 0.7346128772693087
Energy: 0.6864715023240389
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Energy: 0.657980597797244
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Energy: 0.7539320477339724
Energy: 0.6558818629589862
Energy: 0.7209990915511734
Energy: 0.6554365835549902
Energy: 0.696609225514523
Energy: 0.6954814028042791
Energy: 0.6875037119677694
Energy: 0.6272946557418695
Energy: 0.6595391845531007
Energy: 0.7331939228726261
Energy: 0.7434395608439736
Energy: 0.6899003060373008
Energy: 0.6934551039969818
Energy: 0.6961543045691831
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Energy: 0.6362815511628745
Energy: 0.6694132845662736
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Energy: 0.6292074646029853
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Energy: 0.8082348018119306
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Energy: 0.7067200095710949
Energy: 0.6325152712367349
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Energy: 0.6962272652533504
Energy: 0.7454079931389157
Energy: 0.7280150472132028
Energy: 0.6494930465783638
Energy: 0.7237898734063395
Energy: 0.702223244226405
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Energy: 0.7080502551753105
Energy: 0.6533585383196322
Energy: 0.6863389499503838
Energy: 0.6965016265409418
Energy: 0.751741199343799
Energy: 0.7209205836714511
Energy: 0.745879196016959
Energy: 0.6573695533932796
Energy: 0.6950753506796195
Energy: 0.7085260809834167
Energy: 0.6570406357147256
Energy: 0.6274481293595886
Energy: 0.6892951547103998
Energy: 0.7533684073932977
Energy: 0.6852823956114323
Energy: 0.6971580802468812
Energy: 0.6767095266468371
Energy: 0.6479108463492881
Energy: 0.7285027245189336
Energy: 0.6827180396039415
Energy: 0.665266217712188
Energy: 0.6625907270157388
Energy: 0.68532228729869
Energy: 0.6532113931299686
Energy: 0.7288493896371944
Energy: 0.6941147453706031
Energy: 0.6385056631317546
Energy: 0.6661051758638068
Energy: 0.6831616886135384
Energy: 0.7490427546181174
Energy: 0.8125688548708231
Energy: 0.7336515089803732
Energy: 0.7116793609536939
Energy: 0.6513697238616486
Energy: 0.6528814362142208
Energy: 0.653570379087818
Energy: 0.6621491715042535
Energy: 0.6699903442488341
Energy: 0.6520789193565625
Energy: 0.7067114457713779
Energy: 0.6362030647933348
Energy: 0.6567450590819334
Energy: 0.6870422839754222
Energy: 0.7599542030545625
Energy: 0.7579639338089137
Energy: 0.7324404682641562
Energy: 0.7086212869261356
Energy: 0.6759379850856595
Energy: 0.6417003917765447
Energy: 0.6528462817928806
Energy: 0.6563099157344705
Energy: 0.6966028053927535
Energy: 0.7501870503970133
Energy: 0.6784448742631756
Energy: 0.6416480272906405
Energy: 0.7206301758770967
Energy: 0.6825674386371317
Energy: 0.7075056363469642
Energy: 0.6727360166808036
Energy: 0.6545622290842062
Energy: 0.7122368932797744
Energy: 0.657249547437162
Energy: 0.6263912003374547
Energy: 0.686514826473945
Energy: 0.6540008662089429
Energy: 0.6713441183508814
Energy: 0.6552668519233449
Energy: 0.6486364882052545
Energy: 0.7120600896223237
Energy: 0.7297876069151789
Energy: 0.6615391204365165
Energy: 0.6983093738072824
Energy: 0.6911219518394117
Energy: 0.6975403951351967
Energy: 0.7505080309223958
Energy: 0.7463533468233305
Energy: 0.6389967622228023
Energy: 0.6719641576711628
Energy: 0.6466805582656919
Energy: 0.6872021247209378
Energy: 0.6471723318180966
Energy: 0.6417369140093294
Energy: 0.7086614129559881
Energy: 0.7468936557158183
Energy: 0.7111289330790534
Energy: 0.6930550840760693
Energy: 0.6835156484015489
Energy: 0.6480802553626883
Energy: 0.7237573774079005
Energy: 0.697333687098566
Energy: 0.6684106692873115
Energy: 0.6607812505621266
Energy: 0.6529992673269525
Energy: 0.66978525268226
Energy: 0.7029525596310541
Energy: 0.7623450974679242
Energy: 0.6369071563373894
Energy: 0.6820853403188112
Energy: 0.6695944577421306
Energy: 0.7476676482805825
Energy: 0.6826342085882751
Energy: 0.6991608219579982
Energy: 0.7043174928162295
Energy: 0.6443674293237489
Energy: 0.6324001002180394
Energy: 0.6547618454042424
Energy: 0.6588671519999317
Energy: 0.6331166162666103
Energy: 0.6626524547063621
Energy: 0.6376342668883695
Energy: 0.6484155983177158

minimum gb energy = 0.6263912003374547 eV
minimum distance =  2.52150876202189 Angstroms
sigma value = 311


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

Energy: 0.7052617591409717
Energy: 0.713515084164295
Energy: 0.7019532074336589
Energy: 0.6726106818252064
Energy: 0.7083112648129792
Energy: 0.7123113749722586
Energy: 0.6744615654860108
Energy: 0.6457270574163303
Energy: 0.6731466487084764
Energy: 0.6532420098625583
Energy: 0.6562570228533888
Energy: 0.6471232446012173
Energy: 0.6348706627418156
Energy: 0.6945434243387208
Energy: 0.696654868803004
Energy: 0.6848723251439236
Energy: 0.6491474065224524
Energy: 0.6679571182705
Energy: 0.669753658581287
Energy: 0.6601761626130896
Energy: 0.6850367897772749
Energy: 0.6548722167066536
Energy: 0.6834878825073206
Energy: 0.6883082127397164
Energy: 0.7238659112132793
Energy: 0.7240370304600396
Energy: 0.6899540645403207
Energy: 0.7000630536834374
Energy: 0.6772333442271974
Energy: 0.7121523693171232
Energy: 0.7236302530496497
Energy: 0.6908027633379145
Energy: 0.6590828188419161
Energy: 0.6581990762590343
Energy: 0.6940585116248122
Energy: 0.6668845036940808
Energy: 0.6716865766750032
Energy: 0.6389574223442849
Energy: 0.6815382001111789
Energy: 0.6953843896445971
Energy: 0.6431740783466597
Energy: 0.6979897394871116
Energy: 0.726828041620948
Energy: 0.6893485078197746
Energy: 0.6971992353340047
Energy: 0.6480912281401616
Energy: 0.677047621054713
Energy: 0.7067667955792112
Energy: 0.7102179602322025
Energy: 0.6548718973871942
Energy: 0.6600237828278438
Energy: 0.6866540430987274
Energy: 0.6830300875429028
Energy: 0.6651492181916854
Energy: 0.6494672049802419
Energy: 0.7081442026807548
Energy: 0.6989220498842671
Energy: 0.6767247312394143
Energy: 0.6923219503031935
Energy: 0.6494173302616219
Energy: 0.6641808795410774
Energy: 0.6669812926371789
Energy: 0.6882606844631998
Energy: 0.6958529132386807
Energy: 0.7141956663159459
Energy: 0.689306334704563
Energy: 0.7327086298614971
Energy: 0.708579967654266
Energy: 0.6780592858049557
Energy: 0.682891942749744
Energy: 0.664871127714339
Energy: 0.7309695994461061
Energy: 0.6393766481782747
Energy: 0.713103592955776
Energy: 0.6488881919758669
Energy: 0.7109405238348299
Energy: 0.6920970312566158
Energy: 0.6435749524683437
Energy: 0.6900714337251497
Energy: 0.646177663077773
Energy: 0.6800355526164548
Energy: 0.6680155995983861
Energy: 0.6367047751492767
Energy: 0.6751277624616429
Energy: 0.7051681456250529
Energy: 0.6849549148085297
Energy: 0.7072393610553108
Energy: 0.649004723649513
Energy: 0.7019055636887839
Energy: 0.7043134993360852
Energy: 0.6889540014353908
Energy: 0.6408476822318833
Energy: 0.7093038839089055
Energy: 0.6399710920144022
Energy: 0.6660081886124903
Energy: 0.6713635355976282
Energy: 0.6439055308033665
Energy: 0.6941110514272937
Energy: 0.694876855284125
Energy: 0.6730623045900006
Energy: 0.6850062874008814
Energy: 0.6718700122751364
Energy: 0.6674198612571403
Energy: 0.6702366074083941
Energy: 0.6906995323665812
Energy: 0.6441424944398046
Energy: 0.6978151509889404
Energy: 0.6752856800466566
Energy: 0.7007624087161093
Energy: 0.7164616957958478
Energy: 0.6877422839224107
Energy: 0.6900503892022918
Energy: 0.7459920016868423
Energy: 0.7209389047818285
Energy: 0.6528719435714021
Energy: 0.7168900785487342
Energy: 0.7090659106063647
Energy: 0.7126397268416769
Energy: 0.6780607017558437
Energy: 0.646381126924589
Energy: 0.7041446939153988
Energy: 0.6654206773680382
Energy: 0.6837786182741827
Energy: 0.6643823562428585
Energy: 0.6520097518876803
Energy: 0.70175477887289
Energy: 0.7050375851090807
Energy: 0.6984985411665537
Energy: 0.7249935467916756
Energy: 0.6572001925784678
Energy: 0.6738420484814581
Energy: 0.7027978245394443
Energy: 0.6899828761058259
Energy: 0.7392324445438417
Energy: 0.7582724484951843
Energy: 0.6868742769027317
Energy: 0.6496698416559991
Energy: 0.7004744281298305
Energy: 0.6615967370641963
Energy: 0.6882387889158006
Energy: 0.6672578370770201
Energy: 0.6672305726163918
Energy: 0.6969538396238376
Energy: 0.6765138438768106
Energy: 0.6735728117979581
Energy: 0.6838002376565466
Energy: 0.6808541142422013
Energy: 0.6601643369078516
Energy: 0.6983924026800065
Energy: 0.6441865008851151
Energy: 0.6560153063051608
Energy: 0.6820178767395032
Energy: 0.6539861097782002
Energy: 0.6873216826912043
Energy: 0.7000760555524315
Energy: 0.7463562676847337
Energy: 0.70926374569711
Energy: 0.7264346006272516
Energy: 0.7144563455867662
Energy: 0.7116174900403244
Energy: 0.7422979265826344
Energy: 0.6746390938784906
Energy: 0.6999869712331533
Energy: 0.638713596454444
Energy: 0.7245479109235577
Energy: 0.6976977408125848
Energy: 0.6805685947527174
Energy: 0.6783997986079536
Energy: 0.6983625447941095
Energy: 0.6798968557975316
Energy: 0.7026431007499808
Energy: 0.6995300807062169
Energy: 0.6814929519847006
Energy: 0.7026993095743238
Energy: 0.6786975891457167
Energy: 0.6658304000105282
Energy: 0.7160178840256046
Energy: 0.6989003267833417
Energy: 0.6395931447097812
Energy: 0.6481811683806564
Energy: 0.6507175710678771
Energy: 0.6516944857551329
Energy: 0.6975896901658849
Energy: 0.6742753599926166
Energy: 0.6786656743490226
Energy: 0.6503597825798009
Energy: 0.7031680745949556
Energy: 0.6833072629923743
Energy: 0.6900901885930859
Energy: 0.6490610705677865
Energy: 0.6704158618666556
Energy: 0.6622529759090137
Energy: 0.6851108656678893
Energy: 0.6766149541044502
Energy: 0.6652249164912141
Energy: 0.6666747054035499
Energy: 0.6703283426216674
Energy: 0.7407839037589362
Energy: 0.7240186267384108
Energy: 0.7177467471628347
Energy: 0.6909117548162742
Energy: 0.7047591858904985
Energy: 0.7049091683671258
Energy: 0.6718295581042356
Energy: 0.7387072166861746
Energy: 0.7011848326261132
Energy: 0.7217333495174094
Energy: 0.7118315815200854
Energy: 0.7085263004936052
Energy: 0.6970180833569958
Energy: 0.7084270746173821
Energy: 0.6720892586659134
Energy: 0.6481388434088475
Energy: 0.6894937588843209
Energy: 0.6683750252406044
Energy: 0.6568346945765343
Energy: 0.6713983505853106
Energy: 0.6763689422260174
Energy: 0.66310363796133
Energy: 0.6376380415787606
Energy: 0.7074901958224936
Energy: 0.6915480231290958
Energy: 0.6702994421501126
Energy: 0.7000230872677528
Energy: 0.6737354025065455
Energy: 0.6878964659925193
Energy: 0.6773856093192332
Energy: 0.6439121135009553
Energy: 0.6396198428383495
Energy: 0.7015836933327063
Energy: 0.6766694243528567
Energy: 0.640155174029248
Energy: 0.6857665851633558
Energy: 0.6495862084251012
Energy: 0.6990167714272896
Energy: 0.6913489812056648
Energy: 0.6498191313813464
Energy: 0.6862626061447991
Energy: 0.7008834481898403
Energy: 0.7270732820147663
Energy: 0.6421890341719292
Energy: 0.7105593492907836
Energy: 0.7068266188873986
Energy: 0.7123632636325952
Energy: 0.7168972660506483
Energy: 0.7074458299265931
Energy: 0.7126721345002958
Energy: 0.7008942329658161
Energy: 0.7076736446049516
Energy: 0.7133773811602979
Energy: 0.7091080899385426
Energy: 0.6987741253680488

minimum gb energy = 0.6348706627418156 eV
minimum distance =  2.5178661509786 Angstroms
sigma value = 39


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

Energy: 0.626250298188539
Energy: 0.6983268799526757
Energy: 0.7539314470789344
Energy: 0.762539434381916
Energy: 0.6386148050876039
Energy: 0.686751506415053
Energy: 0.6235366666793952
Energy: 0.6510760732012023
Energy: 0.6716013841002786
Energy: 0.6916523552596386
Energy: 0.6406082458215521
Energy: 0.6399834554226259
Energy: 0.665542645673075
Energy: 0.6761707613113875
Energy: 0.6690305692682529
Energy: 0.6332210617905392
Energy: 0.6829137692159342
Energy: 0.639637535562936
Energy: 0.6409895838461389
Energy: 0.6599326565960818
Energy: 0.6745867653116069
Energy: 0.6474123892356112
Energy: 0.647911181595424
Energy: 0.6782750656854537
Energy: 0.6827519051615987
Energy: 0.6389443557206655
Energy: 0.6785375653123491
Energy: 0.6743043572272904
Energy: 0.6591840394365208
Energy: 0.6322772844743925
Energy: 0.6704416159818096
Energy: 0.6675860822497699
Energy: 0.6457769325968896
Energy: 0.6814024100315887
Energy: 0.6539724902366355
Energy: 0.6216740833545512
Energy: 0.6340069274859448
Energy: 0.6898639847608307
Energy: 0.7547899339227423
Energy: 0.6753180134247714
Energy: 0.6561452687660131
Energy: 0.6746106875988847
Energy: 0.7652303890479083
Energy: 0.6321280202103096
Energy: 0.7337859478714179
Energy: 0.7087849315370686
Energy: 0.6217465824263042
Energy: 0.6244952891506761
Energy: 0.6748889406550499
Energy: 0.6231314807534228
Energy: 0.6736073364061181
Energy: 0.744788821046361
Energy: 0.7275236919844777
Energy: 0.6923164191070547
Energy: 0.6793404003317567
Energy: 0.6748835142904108
Energy: 0.6234989073635381
Energy: 0.6732559031346539
Energy: 0.7368714783625684
Energy: 0.6551351100487807
Energy: 0.6397959362571409
Energy: 0.689687310524523
Energy: 0.6756399604509999
Energy: 0.7652785688060152
Energy: 0.6337089558588044
Energy: 0.6775369454511506
Energy: 0.6389951886422731
Energy: 0.6440337657503175
Energy: 0.6524512969415017
Energy: 0.6738078323609968
Energy: 0.6463171010403815
Energy: 0.6329899889284613
Energy: 0.6766155868684823
Energy: 0.6814211530921154
Energy: 0.6394411508595385
Energy: 0.6563803742350907
Energy: 0.6751209470069555
Energy: 0.659483710715364
Energy: 0.6334181850721371
Energy: 0.662898947622191
Energy: 0.6323797446163335
Energy: 0.6392885362688332
Energy: 0.6922856003791823
Energy: 0.6746058037266034
Energy: 0.6227405176050412
Energy: 0.6324211619198868
Energy: 0.6835251110388096
Energy: 0.6902143009177492
Energy: 0.6764498878003692
Energy: 0.6815021621754315
Energy: 0.6528584369747035
Energy: 0.7643779667309331
Energy: 0.654378949298577
Energy: 0.7370758668327111
Energy: 0.7083789467689289
Energy: 0.6225673364279346
Energy: 0.6220720044323924
Energy: 0.6754327770768812
Energy: 0.6221439341602414
Energy: 0.6712531641303103
Energy: 0.7456621628564105
Energy: 0.7079752621284197
Energy: 0.6221652342535838
Energy: 0.6214471264192042
Energy: 0.6758203175604526
Energy: 0.6222601871702459
Energy: 0.6977128911100322
Energy: 0.7363622915447138
Energy: 0.6475166343442564
Energy: 0.6637214368115867
Energy: 0.6790054454755108
Energy: 0.6232097756559082
Energy: 0.6506516623891255
Energy: 0.6715909777878571
Energy: 0.691591402781328
Energy: 0.6405871035388747
Energy: 0.6400196501390059
Energy: 0.6650708116908867
Energy: 0.6765207854788698
Energy: 0.668431844228823
Energy: 0.6328481301475255
Energy: 0.6715257265445503
Energy: 0.63963751070769
Energy: 0.6411405249472019
Energy: 0.6599324523890358
Energy: 0.6768484758092556
Energy: 0.6471852004331592
Energy: 0.6320718993319417
Energy: 0.678344372504557
Energy: 0.6800535152869313
Energy: 0.6389175995783547
Energy: 0.6786373761216886
Energy: 0.6770998484560208
Energy: 0.6593897384197188
Energy: 0.6322583693283346
Energy: 0.6709367121463711
Energy: 0.6679154201793609
Energy: 0.6458724576886926
Energy: 0.688333844084473
Energy: 0.6543221870981165
Energy: 0.6217095497538635
Energy: 0.6320189091840972
Energy: 0.6896265604432286
Energy: 0.7548286463000631
Energy: 0.695822229870917
Energy: 0.6216938996236877
Energy: 0.6748379890158822
Energy: 0.7648501858900922
Energy: 0.6321742715608183
Energy: 0.7336208629965584
Energy: 0.7088361077891671
Energy: 0.6246027598556351
Energy: 0.6244226573675692
Energy: 0.6749756946655611
Energy: 0.6227083392849005
Energy: 0.6740431175204328
Energy: 0.7450795861278443
Energy: 0.7272617917602127
Energy: 0.6928696237618582
Energy: 0.6796997700040095
Energy: 0.6750271487920082
Energy: 0.6238114542838806
Energy: 0.6733805707494527
Energy: 0.7369450004455109
Energy: 0.6550441219338229
Energy: 0.639863987384558
Energy: 0.689814028039846
Energy: 0.6751875739008999
Energy: 0.765530779005719
Energy: 0.6346075380252219
Energy: 0.6772108496131075
Energy: 0.6389472559136109
Energy: 0.6438243170210969
Energy: 0.6523634759847958
Energy: 0.6738097397185805
Energy: 0.6471277897044685
Energy: 0.6332706436526904
Energy: 0.6765281212703415
Energy: 0.6810163568696153
Energy: 0.6397021663641468
Energy: 0.6771240084224501
Energy: 0.675761238310949
Energy: 0.6593399130005
Energy: 0.633370088741105
Energy: 0.6628403759342156
Energy: 0.6325870875299527
Energy: 0.6391870000027061
Energy: 0.692504842749794
Energy: 0.6745034047980556
Energy: 0.6229781907515693
Energy: 0.6321220455838741
Energy: 0.6967859064363083
Energy: 0.6902928633787137
Energy: 0.6762267479520554
Energy: 0.6812547666429185
Energy: 0.652597658947548
Energy: 0.7642675438602827
Energy: 0.6552472399889002
Energy: 0.7357405258491317
Energy: 0.7081826840514334
Energy: 0.622583409664966
Energy: 0.622194271932653
Energy: 0.6755525968152789
Energy: 0.6220870546057308
Energy: 0.6740694871622589
Energy: 0.7469367567867512
Energy: 0.7234057319333529
Energy: 0.622319981990497
Energy: 0.6214873426654137
Energy: 0.6759216677853612

minimum gb energy = 0.6214471264192042 eV
minimum distance =  2.53957296386426 Angstroms
sigma value = 21


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

Energy: 0.7834134053612357
Energy: 0.7420077911932709
Energy: 0.7583028721750643
Energy: 0.6980814243366045
Energy: 0.6585677217555216
Energy: 0.7458181535990279
Energy: 0.7028874534680112
Energy: 0.66837300591063
Energy: 0.6885412787542871
Energy: 0.765516655936017
Energy: 0.7445236421073976
Energy: 0.7508072797748389
Energy: 0.7486662144914711
Energy: 0.7279925821774782
Energy: 0.7455413108145836
Energy: 0.6425719945780612
Energy: 0.6555162001405657
Energy: 0.7632958157282973
Energy: 0.7532583000059703
Energy: 0.6502598977395494
Energy: 0.7139057478673291
Energy: 0.649315808472167
Energy: 0.7085893493324137
Energy: 0.6898031749631952
Energy: 0.64404538604848
Energy: 0.6284488264366186
Energy: 0.6589455953985335
Energy: 0.7020208402876789
Energy: 0.6500294494268479
Energy: 0.6853548851725503
Energy: 0.6260173532284632
Energy: 0.6248255934568546
Energy: 0.6510815893846322
Energy: 0.653133759893429
Energy: 0.6462211895002052
Energy: 0.6277954836184234
Energy: 0.6303221113184109
Energy: 0.6833816396858403
Energy: 0.6799023759160293
Energy: 0.6343618934607754
Energy: 0.6714981662944555
Energy: 0.6387802980088566
Energy: 0.7787643296446869
Energy: 0.6315301053959412
Energy: 0.6757624007890826
Energy: 0.6445650561525571
Energy: 0.6445865239307326
Energy: 0.6285512977742708
Energy: 0.6337123626987086
Energy: 0.6814244698720712
Energy: 0.6239109895854807
Energy: 0.655589058575839
Energy: 0.6959558514463675
Energy: 0.6426184400797784
Energy: 0.6502405761284026
Energy: 0.6496082751891135
Energy: 0.674758546731402
Energy: 0.6582079327013427
Energy: 0.733373251018952
Energy: 0.76385268466918
Energy: 0.8015553393781581
Energy: 0.7986490996745294
Energy: 0.7482377706068406
Energy: 0.7512510969697297
Energy: 0.701682615443033
Energy: 0.6887425470816861
Energy: 0.7073856238007812
Energy: 0.658837624017062
Energy: 0.7460819247437982
Energy: 0.7455269425200288
Energy: 0.6644307284848916
Energy: 0.6657320466513262
Energy: 0.6681852958876131
Energy: 0.6535710262010045
Energy: 0.6694598379524695
Energy: 0.633168068000939
Energy: 0.6918374697243976
Energy: 0.670868344135235
Energy: 0.6593888455055389
Energy: 0.7315685190172002
Energy: 0.8154700377959828
Energy: 0.7359715113660336
Energy: 0.7314594541893871
Energy: 0.7272854002889746
Energy: 0.7528867667067246
Energy: 0.68230482973054
Energy: 0.7707681448018207
Energy: 0.704360389593149
Energy: 0.6629129512281601
Energy: 0.6552942261021505
Energy: 0.6972103849628944
Energy: 0.6279262030926136
Energy: 0.6570765515258749
Energy: 0.7111422725687339
Energy: 0.6583196980476567
Energy: 0.6815577775742631
Energy: 0.7177644325954203
Energy: 0.7231134969869467
Energy: 0.7538821504540857
Energy: 0.6427998718576641
Energy: 0.6610365597445516
Energy: 0.7533945262807702
Energy: 0.760848171319609
Energy: 0.7425904278011384
Energy: 0.7371219288629194
Energy: 0.7138466504811748
Energy: 0.6426110996421815
Energy: 0.6779755976308559
Energy: 0.6936839518127565
Energy: 0.6594806017398407
Energy: 0.6597328719459845
Energy: 0.7913413460628475
Energy: 0.6497923652181906
Energy: 0.7059606920395035
Energy: 0.6812383892186493
Energy: 0.6541449638286163
Energy: 0.6375186320202363
Energy: 0.6530534053615591
Energy: 0.6385678639803635
Energy: 0.6278251224318396
Energy: 0.643700350986819
Energy: 0.6445993736254761
Energy: 0.6948544715152557
Energy: 0.6320159211205325
Energy: 0.6744317834920105
Energy: 0.6700266949872303
Energy: 0.6280356057378401
Energy: 0.6318926922684349
Energy: 0.6995343797064381
Energy: 0.6630042368291472
Energy: 0.6409761835784205
Energy: 0.6285890222556009
Energy: 0.6413742837482647
Energy: 0.7535738510281992
Energy: 0.6244172043662831
Energy: 0.6977932676827896
Energy: 0.650280437610319
Energy: 0.7006405594415461
Energy: 0.6515302395714196
Energy: 0.6540664758200936
Energy: 0.6768672352633368
Energy: 0.6436133434310384
Energy: 0.7640455190411245
Energy: 0.7465912746778396
Energy: 0.7565111354933046
Energy: 0.6511516737533981
Energy: 0.6731827886539685
Energy: 0.632820537288079
Energy: 0.745914875168232
Energy: 0.6881082941394118
Energy: 0.6548281628733791
Energy: 0.6399823711565236
Energy: 0.7129394511497796
Energy: 0.7023642029543096
Energy: 0.7197395956402903
Energy: 0.6407981216368901
Energy: 0.7434940107254582
Energy: 0.731601092406858
Energy: 0.6765248915619517
Energy: 0.7458703888615196
Energy: 0.7532063907278902
Energy: 0.7403725486837158
Energy: 0.6444931115196662
Energy: 0.6982202148548847
Energy: 0.8171551341773106
Energy: 0.7306054896983712
Energy: 0.732063294452163
Energy: 0.7523367140680962
Energy: 0.6278344961663073
Energy: 0.6759464980811531
Energy: 0.7402163794804092
Energy: 0.6587542538689691
Energy: 0.6763428583999147
Energy: 0.6845030598255215
Energy: 0.7233282468078389

minimum gb energy = 0.6239109895854807 eV
minimum distance =  2.4977371766873 Angstroms
sigma value = 113


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

Energy: 0.7351474172284661
Energy: 0.7931021120526575
Energy: 0.8015895817252506
Energy: 0.79194322906146
Energy: 0.7910486239347102
Energy: 0.7922657284852856
Energy: 0.8057029224703919
Energy: 0.7972637219939828
Energy: 0.7968985192862436
Energy: 0.7690667252663341
Energy: 0.8308488825530591
Energy: 0.7349748170618442
Energy: 0.7713771623115541
Energy: 0.7956726201319455
Energy: 0.8334399969252152
Energy: 0.7754753518941896
Energy: 0.779467214281878
Energy: 0.7881926208768135
Energy: 0.7833880461801722
Energy: 0.7836729607226292
Energy: 0.8007717679530982
Energy: 0.7538317026560375
Energy: 0.7980195393993226
Energy: 0.7579387438355342
Energy: 0.7929750696886636
Energy: 0.7864924201881662
Energy: 0.7623093973068434
Energy: 0.806009328098034
Energy: 0.7424457690266525
Energy: 0.8010252742031362
Energy: 0.7369467459830319
Energy: 0.7970736462049882
Energy: 0.8196523729986266
Energy: 0.7343870133426023
Energy: 0.7588804778698203
Energy: 0.6989645411280715
Energy: 0.7377152988423273
Energy: 0.7723379593755787
Energy: 0.7348547397785357
Energy: 0.6836999534786677
Energy: 0.7107613740761193
Energy: 0.7597860227698634
Energy: 0.7635826835640197
Energy: 0.8161740193295738
Energy: 0.6781508985243709
Energy: 0.7594135749935226
Energy: 0.7624164932635871
Energy: 0.7292170968581115
Energy: 0.7442090090593244
Energy: 0.7965156293085239
Energy: 0.6750882803352671
Energy: 0.7435876632976168
Energy: 0.7867998282571033
Energy: 0.7688783724180946
Energy: 0.7374803557266983
Energy: 0.7095269778204638
Energy: 0.6497460631470912
Energy: 0.7258714991264069
Energy: 0.7556529473638324
Energy: 0.7184357987717033
Energy: 0.7476406131522382
Energy: 0.7781912436958922
Energy: 0.705525407011785
Energy: 0.7392869010651925
Energy: 0.7547435425777446
Energy: 0.7502364974160617
Energy: 0.7098744754835054
Energy: 0.7602485998479882
Energy: 0.7449303768791108
Energy: 0.7023068481753869
Energy: 0.7418283449956343
Energy: 0.7042745644617545
Energy: 0.7463698587240393
Energy: 0.6994867827002549
Energy: 0.7297198685123711
Energy: 0.739404251429613
Energy: 0.7069040366157546
Energy: 0.6938419491647763
Energy: 0.785403204504577
Energy: 0.7781597438578334
Energy: 0.7731084399292097
Energy: 0.7434225928272659
Energy: 0.7499037859549227
Energy: 0.7929188522663639
Energy: 0.7144888868290552
Energy: 0.6714989727826521
Energy: 0.7492546319470157
Energy: 0.7539233272892809
Energy: 0.758668083295261
Energy: 0.7292585683617934
Energy: 0.7019088193122659
Energy: 0.7402370590340237
Energy: 0.7587275400279917
Energy: 0.7670201557985754
Energy: 0.6989845451143656
Energy: 0.6636981458722807
Energy: 0.7623167469433747
Energy: 0.7145097123927276
Energy: 0.6723773226106295
Energy: 0.7444513362137848
Energy: 0.7466417752139681
Energy: 0.719893620048185
Energy: 0.750046367070763
Energy: 0.7459269622281078
Energy: 0.7291423701386412
Energy: 0.7318639535437316
Energy: 0.7306104010291975
Energy: 0.727778340956294
Energy: 0.7603728965953336
Energy: 0.7499783811499214
Energy: 0.7551486437270332
Energy: 0.742273842497061
Energy: 0.7353762477407851
Energy: 0.8030540144876085
Energy: 0.7346699092828106
Energy: 0.7907864543195451
Energy: 0.7578558518995845
Energy: 0.7574536952366533
Energy: 0.770441243955877
Energy: 0.7386023869384499
Energy: 0.7381160518067381
Energy: 0.7662829886495672
Energy: 0.7530497931442051
Energy: 0.7462267046256277
Energy: 0.7660882799108608
Energy: 0.7542443833594829
Energy: 0.7382907919130348
Energy: 0.8238383348388902
Energy: 0.751061586193635
Energy: 0.7933743919719851
Energy: 0.8118996913845613
Energy: 0.7597746286259677
Energy: 0.7757263427025861
Energy: 0.7613293679479418
Energy: 0.7992869100334175
Energy: 0.7580732290950907
Energy: 0.8096893641849584
Energy: 0.7874489364756386
Energy: 0.7555427222899602
Energy: 0.8318583839867584
Energy: 0.815142257939152
Energy: 0.7763595618185496
Energy: 0.7728883967007056
Energy: 0.7948094246441172
Energy: 0.7685259134044223
Energy: 0.740154715325393
Energy: 0.79787962475414
Energy: 0.7916833006897482
Energy: 0.7684270555967756
Energy: 0.7741802983235966
Energy: 0.8302166274877052
Energy: 0.7681426064822576
Energy: 0.7565190722390321
Energy: 0.799083989872571
Energy: 0.7348413694352068
Energy: 0.7702865166167281
Energy: 0.8024292506875198
Energy: 0.7954953461597375
Energy: 0.7908297820739197
Energy: 0.7987186760018337
Energy: 0.7861957288262756
Energy: 0.8067912353071701
Energy: 0.8250121996134767
Energy: 0.7689643413462557
Energy: 0.8063047476230599
Energy: 0.7615779499829279
Energy: 0.7694459442750999
Energy: 0.8062944611042787
Energy: 0.7674024004899861
Energy: 0.7561952077377947
Energy: 0.7791675928807356
Energy: 0.7875563169608797
Energy: 0.7567920111762472
Energy: 0.7858497167903308
Energy: 0.7998391018887505
Energy: 0.754630128323887
Energy: 0.8464367387772297
Energy: 0.7592093011703646
Energy: 0.7943459734157938
Energy: 0.7873248782849988
Energy: 0.7631496034369529
Energy: 0.8066554471130603
Energy: 0.7607946657776913
Energy: 0.8034937366831052
Energy: 0.7361529809706726
Energy: 0.7523562810413954
Energy: 0.7513720802483213
Energy: 0.750555713863992
Energy: 0.7487960463138611
Energy: 0.7008162214266301
Energy: 0.7379667517361987
Energy: 0.7817954249081664
Energy: 0.7340322561636676
Energy: 0.6878131668295429
Energy: 0.7116243322741277
Energy: 0.7600375419571451
Energy: 0.7826096190967302
Energy: 0.7256169507076637
Energy: 0.7613237807114859
Energy: 0.7542371814717537
Energy: 0.7622514388850116
Energy: 0.7085474712579097
Energy: 0.7491086689995566
Energy: 0.704878774915855
Energy: 0.6746971010263644
Energy: 0.7160902963578777
Energy: 0.7864119909033719
Energy: 0.7872997547339396
Energy: 0.7171453743909979
Energy: 0.7097778535826086
Energy: 0.6685732621002465
Energy: 0.702864269941968
Energy: 0.7560527370217018
Energy: 0.6877339838640408
Energy: 0.7671584082388315
Energy: 0.7780190558812665
Energy: 0.705695882436471
Energy: 0.691810703827823
Energy: 0.7557044891926591
Energy: 0.7596531448998718
Energy: 0.699837694162895
Energy: 0.7189231725335935
Energy: 0.7589764061874316
Energy: 0.701910163450866
Energy: 0.7413245712427117
Energy: 0.7095304751832986
Energy: 0.7453884121743085
Energy: 0.6960876911365488
Energy: 0.7074903698547023
Energy: 0.7404935058835341
Energy: 0.7067917614037728
Energy: 0.6922555063500154
Energy: 0.6917102686349885
Energy: 0.7783249377482195
Energy: 0.7550919847086777
Energy: 0.7468298784890912
Energy: 0.7504629228129224
Energy: 0.7248268924624608
Energy: 0.7203591597134877
Energy: 0.6702367042595399
Energy: 0.7424938721470279
Energy: 0.7545794183924582
Energy: 0.7812619578607052
Energy: 0.7381882042290461
Energy: 0.7014340124686413
Energy: 0.7562753133384793
Energy: 0.7297255360755216
Energy: 0.8037651573106935
Energy: 0.687626053753437
Energy: 0.6640052404797716
Energy: 0.7585097866334756
Energy: 0.7135161427974098
Energy: 0.6704584717609612
Energy: 0.7714327052805879
Energy: 0.7344335103359683
Energy: 0.706949943687995
Energy: 0.7001667286213802
Energy: 0.7452129970772623
Energy: 0.7377346848970321
Energy: 0.7327356133229539
Energy: 0.7195299954910725
Energy: 0.7036358816907456
Energy: 0.7873668012794811
Energy: 0.7507260042509295
Energy: 0.7440813453010133
Energy: 0.7482566949084822
Energy: 0.7350249565042453
Energy: 0.7760267490860842
Energy: 0.7331299128645368
Energy: 0.7916227393849067
Energy: 0.7566422380472154
Energy: 0.7281171492923184
Energy: 0.7727542886789031
Energy: 0.7324637031430095
Energy: 0.7374545822067888
Energy: 0.7368456627903509
Energy: 0.7533268315563493
Energy: 0.7806689538822298
Energy: 0.7670237227392717
Energy: 0.7544810673290525
Energy: 0.7905245895089608
Energy: 0.8232800557151195
Energy: 0.7459017165858235
Energy: 0.7936617376388624
Energy: 0.8113651923351869
Energy: 0.7948851211998744
Energy: 0.7749574183832987
Energy: 0.7570235478151185
Energy: 0.7991257206542906
Energy: 0.7573142472059338
Energy: 0.808788452696498
Energy: 0.787689725455557
Energy: 0.7925443681832224
Energy: 0.8068713935799866
Energy: 0.8267725302651872
Energy: 0.7775428634495333
Energy: 0.7690141834336989
Energy: 0.8300314105974509
Energy: 0.7684321516468211
Energy: 0.740880648613467
Energy: 0.8435971580759484
Energy: 0.7903119530500378
Energy: 0.7670634017039903
Energy: 0.7745898835226565
Energy: 0.8280621047964787
Energy: 0.7684000487698532
Energy: 0.7556285015521198
Energy: 0.7972744244172546
Energy: 0.7320031931284651
Energy: 0.7711127451617148
Energy: 0.7622069262898914
Energy: 0.7952294565554323
Energy: 0.791390841208398
Energy: 0.7655414563007228
Energy: 0.7846783870327941

minimum gb energy = 0.6497460631470912 eV
minimum distance =  2.4723789383525 Angstroms
sigma value = 365


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

Energy: 0.7174018925363628
Energy: 0.7780394810086287
Energy: 0.7128524188437755
Energy: 0.6892192832370944
Energy: 0.6895229983164801
Energy: 0.7125532592855317
Energy: 0.6889083534842122
Energy: 0.6990141009330415
Energy: 0.8206795720362461
Energy: 0.6905368388644298
Energy: 0.6917503786957083
Energy: 0.6912608702987533
Energy: 0.6905363152327281
Energy: 0.8206173153131544
Energy: 0.6984546872501519
Energy: 0.7778133687942407
Energy: 0.6897951023584237
Energy: 0.6906384008302309
Energy: 0.6899347052212882
Energy: 0.6890878992909907
Energy: 0.6892517095576606
Energy: 0.7006506290388534
Energy: 0.7783356948340391
Energy: 0.6902561346336659
Energy: 0.6914301097886456
Energy: 0.6899602654677314
Energy: 0.6897042269479385
Energy: 0.6904466630920847
Energy: 0.658552846777317
Energy: 0.8213927845290926
Energy: 0.6436177615464205
Energy: 0.8208849305689794
Energy: 0.6918709108487459
Energy: 0.6447830728137813
Energy: 0.820834457342166
Energy: 0.7021365785744754
Energy: 0.7780866678026336
Energy: 0.6896730940838464
Energy: 0.6894214652017486
Energy: 0.6907502280145705
Energy: 0.6917270666866947
Energy: 0.6893301603340388
Energy: 0.6973048931369286
Energy: 0.8209660803477826
Energy: 0.6895517317358958
Energy: 0.6910298163731154
Energy: 0.6902892275307817
Energy: 0.689603608570755
Energy: 0.8202519210408771
Energy: 0.6968665468160049
Energy: 0.836106255094479
Energy: 0.689981405135791
Energy: 0.6903894940156258
Energy: 0.6896866562759557
Energy: 0.6888570027331504
Energy: 0.8206145995978429
Energy: 0.7024091315768268
Energy: 0.777735125574523
Energy: 0.6900831732634057
Energy: 0.696421135068961
Energy: 0.6950004867643989
Energy: 0.6914159739756591
Energy: 0.6897398481457361
Energy: 0.643498234585432
Energy: 0.8213352116903196
Energy: 0.6433931293513483
Energy: 0.8203775550690061
Energy: 0.8210712002148697
Energy: 0.6448027775232603
Energy: 0.8204448057270594
Energy: 0.7019207751637109
Energy: 0.7778706815017121
Energy: 0.6911412676813392
Energy: 0.6906253391072346
Energy: 0.6908798668793072
Energy: 0.6908089583640814
Energy: 0.6902258300531138
Energy: 0.6975476670936931
Energy: 0.7776129122121243
Energy: 0.6895384837045682
Energy: 0.6903640884811293
Energy: 0.6896951920329947
Energy: 0.6893349198944135
Energy: 0.8204403217481621
Energy: 0.6981590408082794
Energy: 0.8208391626393087
Energy: 0.6901411279316781
Energy: 0.691353431465038
Energy: 0.6902802357138413
Energy: 0.6895681628721594
Energy: 0.8200016168174598
Energy: 0.705059496894399
Energy: 0.7779766621241838
Energy: 0.6892376117757235
Energy: 0.6895294484837553
Energy: 0.6904523148974436
Energy: 0.6902366641799166
Energy: 0.6885914990523068
Energy: 0.6590501852832064
Energy: 0.8213448838343986
Energy: 0.6432768612849602
Energy: 0.692316912293015
Energy: 0.6917110049566897
Energy: 0.6915185240489349
Energy: 0.820851966818175
Energy: 0.6972490116114547
Energy: 0.7776561825937403
Energy: 0.6901568933807088
Energy: 0.6909699865365155
Energy: 0.6903995842578134
Energy: 0.6895911879273002
Energy: 0.6914719900456451
Energy: 0.6971163720010312
Energy: 0.777784007776351
Energy: 0.6899831862046719
Energy: 0.6909116692614351
Energy: 0.6898147679871096
Energy: 0.6897089697515477
Energy: 0.689245489697584
Energy: 0.6589401515794938
Energy: 0.8213032798640945
Energy: 0.6911666403862123
Energy: 0.6921862771438271
Energy: 0.6913903464782696
Energy: 0.6907303854087488
Energy: 0.8202964337078594
Energy: 0.70216607780266
Energy: 0.7779728287903263
Energy: 0.6902362407211092
Energy: 0.6890884864640029
Energy: 0.6898450638695663
Energy: 0.6899253746595724
Energy: 0.6890188359659396
Energy: 0.6983614872752094
Energy: 0.8207517514322951
Energy: 0.690086406805364
Energy: 0.6912776364736206
Energy: 0.6909003254624709
Energy: 0.6901044199718601
Energy: 0.8199124514535747

minimum gb energy = 0.6432768612849602 eV
minimum distance =  2.4867156595891 Angstroms
sigma value = 23