Model name: model_name=EAM_Dynamo_HepburnAckland_2008_FeC__MO_143977152728_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8553125262260437
cohesive_energy=4.013297914353109
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.28468931220656e-19, 2.13235290395694e-19, 2.82981243626982e-19, 3.44538472081896e-19, 3.9416749549667997e-19, 4.3340480126333994e-19, 4.644790170797699e-19, 4.8980141878014e-19, 5.11546160056788e-19, 5.310029931000839e-19, 5.4859168818813595e-19, 5.6435870844333e-19, 5.78328086515176e-19, 5.9057192035220395e-19, 6.0120877102533e-19, 6.10400458374588e-19, 6.182879739437699e-19, 6.249994918635959e-19, 6.30611916612498e-19, 6.351572917231559e-19, 6.386404237254719e-19, 6.410773343857859e-19, 6.424952607068759e-19, 6.429502788709319e-19, 6.424712280573659e-19, 6.40952364608334e-19, 6.38268718746384e-19, 6.342744923978219e-19, 6.28793446132908e-19, 6.216221035191239e-19, 6.1252814894454e-19, 6.01242416734644e-19, 5.87471708565414e-19, 5.705367015440339e-19, 5.49139632596964e-19, 5.217504230387339e-19, 4.86305469364752e-19, 4.40947848856212e-19, 3.8431410919757993e-19, 3.14641856091456e-19, 2.2907120424615e-19, 1.206233926792848e-19, -3.24435961855098e-20, -2.6284028116096796e-19, -6.3238712832297e-19, -1.2523461724960019e-18, -2.3323365914128198e-18, -4.32190351374768e-18, -8.31436746801228e-18, -1.71346382299764e-17, -3.8891075396052596e-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: 0.014034170644421674
Energy: 0.10571396029260546
Energy: 0.09087102480345687
Energy: 0.09236041310809034
Energy: 0.10846467186965209
Energy: 0.08984311770059408
Energy: 0.10439183439695929
Energy: 0.09117098222815678
Energy: 0.09262513228050163
Energy: 0.016824899491832714
Energy: 0.09050187738601961
Energy: 0.0900045989133729
Energy: 0.10424669457895433
Energy: 0.014896276439561297
Energy: 0.015274539106277182
Energy: 0.09564040163401476
Energy: 0.09007061819749712
Energy: 0.10347881537793314
Energy: 0.0901600262696158
Energy: 0.10626450541853832
Energy: 0.0904364242630266
Energy: 0.09024469169543953
Energy: 0.10334718116309903
Energy: 0.01762861227898063
Energy: 0.09257562993274092
Energy: 0.0898527841767545
Energy: 0.016098336605485087
Energy: 0.014567556919904707
Energy: 0.10350901977618732
Energy: 0.09105001907834806
Energy: 0.01564240461337977
Energy: 0.10563098272161563
Energy: 0.09001836529975121
Energy: 0.09027589126893597
Energy: 0.0930015345242736
Energy: 0.0897652639357672
Energy: 0.015034367471050386
Energy: 0.014897095816392826
Energy: 0.09007751956859875
Energy: 0.01432074956013906
Energy: 0.016161016834241364
Energy: 0.09398986802074398
Energy: 0.09080768606232002
Energy: 0.015281685609323145
Energy: 0.014204863183688089
Energy: 0.08980916422982835
Energy: 0.09266572366349857
Energy: 0.09145144826114056
Energy: 0.08987047038015088
Energy: 0.014109678765288017
Energy: 0.09004914815637521
Energy: 0.09268205324437036
Energy: 0.10696693301076833
Energy: 0.014826906850599515
Energy: 0.014314150955674614
Energy: 0.09072363044210045
Energy: 0.014677954261605529
Energy: 0.01579799717075351
Energy: 0.10464358254573486
Energy: 0.09003097141791935
Energy: 0.014246882844980885
Energy: 0.10431573370288416
Energy: 0.08980862956158807
Energy: 0.10429226036042757
Energy: 0.09031573888563849
Energy: 0.08975947895775356
Energy: 0.014615427396697146
Energy: 0.01610481339341629
Energy: 0.10353558692882293
Energy: 0.09150236613208292

minimum gb energy = 0.014034170644421674 eV
minimum distance =  2.47113781807621 Angstroms
sigma value = 3


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

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Energy: 1.3416140333405746
Energy: 1.3233465311860642
Energy: 1.3053481852504873
Energy: 1.3383026053032299
Energy: 1.3234250249230848
Energy: 1.3257362494544558
Energy: 1.3529766337453182
Energy: 1.3246598750942378
Energy: 1.4429801536462534
Energy: 1.341960715685631
Energy: 1.3255888088577397
Energy: 1.3690219079715122
Energy: 1.4464766998949539
Energy: 1.37760649588956
Energy: 1.3234038791591893
Energy: 1.3527673522736547
Energy: 1.3659565809000962
Energy: 1.308098600097069
Energy: 1.3387238842490354
Energy: 1.3000992899036392
Energy: 1.2611247959166356
Energy: 1.3416101593569991
Energy: 1.3568247641561084
Energy: 1.3822843860664598
Energy: 1.3488852351417564
Energy: 1.4454702119506806
Energy: 1.2690824888139032
Energy: 1.3350981297509914
Energy: 1.3177458866546596
Energy: 1.4989440500923716
Energy: 1.3179437431350813
Energy: 1.3376276456721095
Energy: 1.3007004527611954
Energy: 1.2812442158117645
Energy: 1.3535490214064594
Energy: 1.364473122247069
Energy: 1.400302117641385
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Energy: 1.3040949820719474
Energy: 1.4982118548273007
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Energy: 1.5217435889990936
Energy: 1.5018068496979349
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Energy: 1.3427766515499535
Energy: 1.3776890073592492
Energy: 1.299782355957839
Energy: 1.3010889409485493
Energy: 1.267125649571657
Energy: 1.3446301069984665
Energy: 1.2735942879265194
Energy: 1.304737810741005
Energy: 1.2761402336464098
Energy: 1.525938674294911
Energy: 1.3446433218872476
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Energy: 1.261472314269024
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Energy: 1.3439973550095492
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Energy: 1.2609002302669776
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Energy: 1.27450633990064
Energy: 1.2737909393443503
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Energy: 1.3371123579698316
Energy: 1.354293757129317
Energy: 1.3926983004971691
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Energy: 1.2892870101926908
Energy: 1.3639816845243335
Energy: 1.34603987792731
Energy: 1.2672154398766604
Energy: 1.3205285890972893
Energy: 1.4350482115382084
Energy: 1.335377148347045
Energy: 1.329700625513897
Energy: 1.3437366165261606
Energy: 1.3733262680855125
Energy: 1.5236909803016172
Energy: 1.2701715489057566
Energy: 1.3235035630933987
Energy: 1.3288102420594414
Energy: 1.3475080876879746
Energy: 1.3368035809043821
Energy: 1.320090139393801
Energy: 1.3335008229986096
Energy: 1.3495579540777765
Energy: 1.3307978091351014
Energy: 1.3435167019231349
Energy: 1.449223444597423
Energy: 1.3503834375416097
Energy: 1.27832858481258
Energy: 1.4044566524751239
Energy: 1.380349769715588
Energy: 1.5059697348515997
Energy: 1.4498907114572392
Energy: 1.2609911325868768
Energy: 1.3376468683164446
Energy: 1.3479507354745461
Energy: 1.3566531386076828
Energy: 1.2617478259216899
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Energy: 1.4203964501088913
Energy: 1.343176003207481
Energy: 1.3515554616818999
Energy: 1.2605846122528783
Energy: 1.5054401214406532
Energy: 1.2930943178004881
Energy: 1.2960125488951337
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Energy: 1.3189573982525844
Energy: 1.3654944600927208
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Energy: 1.2875582444719547
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Energy: 1.299526349300712
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Energy: 1.5115974212887147
Energy: 1.2964801249547893
Energy: 1.521851851466813
Energy: 1.501178737774433
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Energy: 1.3522955492246795
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Energy: 1.2766204698608843
Energy: 1.2683992318523172
Energy: 1.5250264113614291
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Energy: 1.2599365171164087
Energy: 1.4510812444885968
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Energy: 1.2697131557967294
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Energy: 1.269676621166327
Energy: 1.3750871008476824
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Energy: 1.2597727236928902
Energy: 1.3434644737567838
Energy: 1.2626384271396902
Energy: 1.2739386296248616
Energy: 1.2739175690065212
Energy: 1.3159395864923278
Energy: 1.2984105958645413
Energy: 1.2730158311432331
Energy: 1.3678618884348435
Energy: 1.344701422690629
Energy: 1.2582443151172815
Energy: 1.3832278424066367
Energy: 1.3698932937589274
Energy: 1.2689268823452526
Energy: 1.2736272076431743
Energy: 1.2589365575502354
Energy: 1.3090928836424318
Energy: 1.2897371719450301
Energy: 1.2606392643186584
Energy: 1.2589206557735029
Energy: 1.3417257410509054
Energy: 1.3614655920101586
Energy: 1.4499098925333398
Energy: 1.2594123477700914
Energy: 1.2604479168516944
Energy: 1.318502839817603
Energy: 1.3454692781741777
Energy: 1.2753943697234453
Energy: 1.2950753638154548
Energy: 1.2737736022279755
Energy: 1.2864417848784864
Energy: 1.30557670964979
Energy: 1.2599646270522435
Energy: 1.448011999694687
Energy: 1.3513676871268896
Energy: 1.3988184126352714
Energy: 1.52633089191784
Energy: 1.314098600794382
Energy: 1.2996761155752992
Energy: 1.3000649899260672
Energy: 1.2790028519254701
Energy: 1.298172873716652
Energy: 1.281267864081817
Energy: 1.4038193215477717
Energy: 1.3447533487953918
Energy: 1.3111336720573508
Energy: 1.3878014609898768
Energy: 1.3193831612146576
Energy: 1.472617145354143
Energy: 1.5080659400121796
Energy: 1.2573988248719756
Energy: 1.3055433213818526
Energy: 1.3289918703081758
Energy: 1.3189057490064564
Energy: 1.2928200415467788
Energy: 1.2880470239089217
Energy: 1.3431480239828655
Energy: 1.3467783872693686
Energy: 1.2619172137841284
Energy: 1.3208326301151225
Energy: 1.4409756624685028
Energy: 1.511016784547967
Energy: 1.555848359026188
Energy: 1.2722416022997987
Energy: 1.3377576246247709
Energy: 1.293476991170146
Energy: 1.4985747857253742
Energy: 1.3412853214164666
Energy: 1.3194526223886522
Energy: 1.3300275379786979
Energy: 1.3370381814836574
Energy: 1.3346622024829145
Energy: 1.3290959611074908
Energy: 1.4957403501688293
Energy: 1.3057076087949877
Energy: 1.2952988876955518

minimum gb energy = 1.2573988248719756 eV
minimum distance =  2.2217047109128 Angstroms
sigma value = 75


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

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Energy: 1.396007305775465
Energy: 1.4103860062279319
Energy: 1.421279693932871
Energy: 1.396015953579161
Energy: 1.4318582368343507
Energy: 1.4508448023712184
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Energy: 1.3925044185367819
Energy: 1.4958409161895512
Energy: 1.415997468851763
Energy: 1.3875225556900284
Energy: 1.3827654417403326
Energy: 1.4141955373565882
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Energy: 1.478191680826489
Energy: 1.4619127633834197
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Energy: 1.4862294217847265
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Energy: 1.4834243717243403
Energy: 1.4869159600188833
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Energy: 1.3560181495465102
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Energy: 1.35393665084275
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Energy: 1.3641402878633386
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Energy: 1.401042546208665
Energy: 1.4332890083666405
Energy: 1.3648174302858067
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Energy: 1.4073933822482596
Energy: 1.3541070412351321
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Energy: 1.4753376044387891
Energy: 1.5082509913283415
Energy: 1.4929027661789667
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minimum gb energy = 1.337575862792487 eV
minimum distance =  2.20509066578292 Angstroms
sigma value = 105


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

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Energy: 1.3347790676292075
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Energy: 1.4146176593476762
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Energy: 1.3994554263889638
Energy: 1.5045867553630297
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Energy: 1.3963970306872426
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Energy: 1.336700505476624
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Energy: 1.5231321965927604
Energy: 1.407222017915788
Energy: 1.4074491762930712
Energy: 1.3618782210336178
Energy: 1.3683409489496652
Energy: 1.3891626364840914
Energy: 1.3721437392559814
Energy: 1.4623931711353697
Energy: 1.4636656354101207
Energy: 1.401992167155
Energy: 1.3569644647997572
Energy: 1.3698186717520224
Energy: 1.4977140804541949
Energy: 1.3773837215730582
Energy: 1.5011644676544738
Energy: 1.4767718629652988
Energy: 1.4738008897042536
Energy: 1.4912782611199862
Energy: 1.4808157084125415
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Energy: 1.3477104700952596
Energy: 1.3600841923135498
Energy: 1.4048517608933697
Energy: 1.4498846430646026
Energy: 1.3831157054051149
Energy: 1.4478837625122523
Energy: 1.4621920506148722
Energy: 1.468630943249524
Energy: 1.3518165476683865
Energy: 1.390622435273267
Energy: 1.3485503922641415
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Energy: 1.3823790958366624
Energy: 1.3863859301854033
Energy: 1.3895145884463065
Energy: 1.3503217980901014
Energy: 1.3506359986953669
Energy: 1.4249445962761838
Energy: 1.3584771200810686
Energy: 1.3746911264105626
Energy: 1.3554809375953571
Energy: 1.3685252748300631
Energy: 1.34185865742098
Energy: 1.3695994408181817
Energy: 1.3896048647133752
Energy: 1.456149257348504
Energy: 1.4332092741243185
Energy: 1.4150243569728596
Energy: 1.4129294681955884
Energy: 1.3703218525815875
Energy: 1.510189204436569
Energy: 1.3551640140924694
Energy: 1.3555207120388015
Energy: 1.3424942026610072
Energy: 1.4293776471277742
Energy: 1.451131682650673
Energy: 1.3989367524589706
Energy: 1.3664687447513582
Energy: 1.3745290833661254
Energy: 1.5363135661714047
Energy: 1.456243374893203
Energy: 1.4450151554774304
Energy: 1.4674047761941547
Energy: 1.3425270078539495
Energy: 1.5022023605233228
Energy: 1.3964619313811952
Energy: 1.363890670417737
Energy: 1.3829417254047738
Energy: 1.3536223350574565
Energy: 1.4255591730241945
Energy: 1.4492039064122093
Energy: 1.4630291777832016
Energy: 1.5170180050076556
Energy: 1.3739606623486196

minimum gb energy = 1.305044670353395 eV
minimum distance =  2.23171827341642 Angstroms
sigma value = 165


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

Energy: 1.5330787912065436
Energy: 1.306851088923827
Energy: 1.3198067948316263
Energy: 1.303274598840955
Energy: 1.3286256656268738
Energy: 1.292954149017711
Energy: 1.3332820318919119
Energy: 1.3179323663456708
Energy: 1.3062023752351333
Energy: 1.2591605358262523
Energy: 1.3590301687065807
Energy: 1.5335584609181474
Energy: 1.5293011190666883
Energy: 1.6009843020615326
Energy: 1.3347540835874179
Energy: 1.5331290494110748
Energy: 1.2912508190166683
Energy: 1.2986712218840983
Energy: 1.2920168629377555
Energy: 1.3501015826485359
Energy: 1.327029315297354
Energy: 1.306406851029154
Energy: 1.3268581267497754
Energy: 1.3844404674626494
Energy: 1.5747169534650793
Energy: 1.3613128995043053
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Energy: 1.3597615603349482
Energy: 1.3111349774346825
Energy: 1.370537605338132
Energy: 1.3630976207626515
Energy: 1.362588872582373
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Energy: 1.573380007154344
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Energy: 1.5586518915715946
Energy: 1.6037893949577875
Energy: 1.5763222318018757
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Energy: 1.2951121940664891
Energy: 1.603943312577414
Energy: 1.604527183469381
Energy: 1.3080763824510158
Energy: 1.3445487015263493
Energy: 1.342263997936989
Energy: 1.3397232370801633
Energy: 1.3094753880679786
Energy: 1.2938827368966856
Energy: 1.2892076438000983
Energy: 1.6074518527925301
Energy: 1.3164127229065952
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Energy: 1.5768709786567219
Energy: 1.3931580188741597
Energy: 1.34451105827187
Energy: 1.337493922134368
Energy: 1.3063339703192507
Energy: 1.3525703982521697
Energy: 1.3293766814623265
Energy: 1.3003540505874278
Energy: 1.30571969281626
Energy: 1.2982628930218836
Energy: 1.345112655210149
Energy: 1.3586939831247078
Energy: 1.3074061581703988
Energy: 1.3807310033775408
Energy: 1.3539522058470272
Energy: 1.3433509750607564
Energy: 1.3114305859656772
Energy: 1.3008219946164903
Energy: 1.3136608848988374
Energy: 1.319911882006273
Energy: 1.3657744291221552
Energy: 1.3501916462296337
Energy: 1.3151547191487873
Energy: 1.338392189144389
Energy: 1.338256894447278
Energy: 1.303635680686485
Energy: 1.2921750016451048
Energy: 1.303907689609911
Energy: 1.327488839515965
Energy: 1.320552094042715
Energy: 1.3612049157446757
Energy: 1.2899566027889076
Energy: 1.371310291144651
Energy: 1.3593086263459762
Energy: 1.6183841097355254
Energy: 1.2925631844781618
Energy: 1.2942499059532215
Energy: 1.3098154620453342
Energy: 1.3392691719159477
Energy: 1.324980407735436
Energy: 1.3059586488816726
Energy: 1.3169084290740454
Energy: 1.3275249344061744
Energy: 1.3601462442570633
Energy: 1.3281494590280587
Energy: 1.4113062772130616
Energy: 1.3066858567602482
Energy: 1.5486693176473085

minimum gb energy = 1.2591605358262523 eV
minimum distance =  2.2182263211382 Angstroms
sigma value = 41


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

Energy: 2.6319932700904602
Energy: 1.3222166550435117
Energy: 1.3212635758213498
Energy: 1.2418308797522655
Energy: 1.2518485183177717
Energy: 1.3264808334318285
Energy: 1.3224702588731752
Energy: 1.3874093748738276
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Energy: 1.2715062634240342
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Energy: 1.2186516876154139
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Energy: 1.3194210350791804
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Energy: 1.3104503133034533
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Energy: 1.3623699856579397
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Energy: 1.177800768192091
Energy: 1.3247191577609476
Energy: 1.3254304206464351
Energy: 1.3706519990534012
Energy: 1.2435080707502726
Energy: 1.2450595884289575
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Energy: 1.280114466613709
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Energy: 1.293010496191174
Energy: 1.2375205744316546
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Energy: 1.3378748091620745
Energy: 1.3514093156224152
Energy: 1.2723549245540013
Energy: 1.2998751173426468
Energy: 1.226149047042863
Energy: 1.3599864511808955
Energy: 1.3331251711753698
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Energy: 1.2463357111405338
Energy: 1.3249295689074025
Energy: 1.2892433985805796
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Energy: 1.1794292831570168
Energy: 1.2329200545069536
Energy: 1.361475367642613
Energy: 1.3415439145390675
Energy: 1.303763001240114
Energy: 1.313633896344249
Energy: 1.247515283681825
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Energy: 1.3270413799459155
Energy: 1.32449363117678
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Energy: 1.2389160183969792
Energy: 1.2405000113215912
Energy: 1.2379352828984762
Energy: 1.224368022646981
Energy: 1.2249882578893134
Energy: 1.2867219753396801
Energy: 1.3373822131039095
Energy: 1.3196243582424765
Energy: 1.312002058094684
Energy: 1.2387302510367604
Energy: 1.2390691846277497
Energy: 1.2379460452358328
Energy: 1.1955149113515207
Energy: 1.2281547190450315
Energy: 1.2593980787345433
Energy: 1.2780174717001755
Energy: 1.2469725681991395
Energy: 1.2290964820138106
Energy: 1.314383420983002
Energy: 1.324320512067407
Energy: 1.2425683415374458
Energy: 1.1715137657230765
Energy: 1.1870140405401517
Energy: 1.2633345097963382
Energy: 1.2242155396879992
Energy: 1.264610340239199
Energy: 1.2313425811200558
Energy: 1.2276079437326048
Energy: 1.2729864565143172
Energy: 1.3484186895350254
Energy: 1.2234826620807966
Energy: 1.109896134126846
Energy: 1.2975049753915713
Energy: 1.291115343800224
Energy: 1.3264178499972417
Energy: 1.358212828327191
Energy: 1.3164386278405953
Energy: 1.324494731996026
Energy: 1.288521484390873
Energy: 1.2876324298083175
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Energy: 1.2262843838702864
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Energy: 1.240160504143814
Energy: 1.3573602098969004
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Energy: 1.2250193205118793
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Energy: 1.2655513840136787
Energy: 1.325937389959402
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Energy: 1.3013030290935412
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Energy: 1.2327953343866758
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Energy: 1.3258962614847833
Energy: 1.3245280377637212
Energy: 1.2351308322833963
Energy: 1.2380831551112617
Energy: 1.2349207351564868
Energy: 1.234259537438732
Energy: 1.2017597763776062
Energy: 1.233696821755982
Energy: 1.174608014434672
Energy: 1.3361278887359431
Energy: 1.3344021601588263
Energy: 1.324482333151632
Energy: 1.3122793131683523
Energy: 1.2639617036579336
Energy: 1.2270578278035398
Energy: 1.198438440611138
Energy: 1.253099719805183
Energy: 1.2765841086020906
Energy: 1.2285186931714895
Energy: 1.2866769820886634
Energy: 1.2487676289622376
Energy: 1.3549330835118152
Energy: 1.3631677010599015
Energy: 1.3364352702016067
Energy: 1.2286882325283515
Energy: 1.1743363530194588
Energy: 1.291068241330301
Energy: 1.287138264417347
Energy: 1.221398538904173
Energy: 1.2214737212148161
Energy: 1.3100343049770242
Energy: 1.3398762564261477
Energy: 1.3333860745780073
Energy: 1.3356159288049594
Energy: 1.2258844950625027
Energy: 1.1825883032624223
Energy: 1.3245134182308935
Energy: 1.3108909861426141
Energy: 1.2234799316399776
Energy: 1.259832542135064
Energy: 1.2983868651019062
Energy: 1.321216623608846
Energy: 1.2955630323639435
Energy: 1.2792304305832687
Energy: 1.222729324926277
Energy: 1.3115219799047335
Energy: 1.3733549717923934
Energy: 1.2225519519039785
Energy: 1.2848217808275884
Energy: 1.2916754944885906
Energy: 1.2895476920738909
Energy: 1.2779284600299052
Energy: 1.1748578949011133
Energy: 1.174390902740365
Energy: 1.2245180400284987
Energy: 1.3018524305786197
Energy: 1.2289714131145018
Energy: 1.2236048328787064
Energy: 1.2185659088434682
Energy: 1.2353050951516837
Energy: 1.277223829600012
Energy: 1.2821556401173517
Energy: 1.3245154649215412
Energy: 1.2364658089519542
Energy: 1.2309696660343803
Energy: 1.2267639479486434
Energy: 1.2293537278799267
Energy: 1.215790707453132
Energy: 1.2115351920574806
Energy: 1.2152154585780162
Energy: 1.291854863713855
Energy: 1.3489650475818036
Energy: 1.3267259130447846
Energy: 1.3234843687998277
Energy: 1.2543333197241913
Energy: 1.2209778785427081
Energy: 1.2256523730790716
Energy: 1.2191546312662844
Energy: 1.2156940203862223
Energy: 1.296601133298653
Energy: 1.2153150155746055
Energy: 1.2953036233259605
Energy: 1.2722118657532715
Energy: 1.37062891331043
Energy: 1.227723827229135
Energy: 1.2225395538453512
Energy: 1.2275296129524647
Energy: 1.2861548305052977
Energy: 1.2995608286032
Energy: 1.2416253552370913
Energy: 1.264017415055427
Energy: 1.2571608737750815
Energy: 1.3711511201489275
Energy: 1.271225682688678
Energy: 1.2966902786697063
Energy: 1.2718186883753946

minimum gb energy = 1.1074749929425811 eV
minimum distance =  2.20524228595255 Angstroms
sigma value = 185


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

Energy: 2.5298834841913758
Energy: 1.3722064337726838
Energy: 1.3702619075892446
Energy: 1.3172885390509868
Energy: 1.3494062546186538
Energy: 1.4292192369024725
Energy: 1.4966888313527962
Energy: 1.3963812147267014
Energy: 1.3714436083847625
Energy: 1.240962503086774
Energy: 1.3778924563630617
Energy: 1.462274133565639
Energy: 1.3084031733189658
Energy: 1.2312286147394726
Energy: 1.2309451889687844
Energy: 1.3155154458579872
Energy: 1.457575110042247
Energy: 1.4772103990784893
Energy: 1.4776106543143082
Energy: 1.3820406462514045
Energy: 1.3772861583784552
Energy: 1.3537317812146008
Energy: 1.3450287518045694
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Energy: 1.2315944570210446
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Energy: 1.236875359404108
Energy: 1.2494621506960388
Energy: 1.249980947689427
Energy: 1.3348645094222635
Energy: 1.3386002255900962
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Energy: 1.2585650987637207
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Energy: 1.258585000866334
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Energy: 1.462046898074741
Energy: 1.40338633664827
Energy: 1.4021986267137632
Energy: 1.4850606850616461
Energy: 1.3656723326292957
Energy: 1.355398984983948
Energy: 1.36385334736065
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Energy: 1.4427726559736809
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Energy: 1.4097274488520706
Energy: 1.2500725748652473
Energy: 1.4876526161639092
Energy: 1.3403536860933072
Energy: 1.4455873510228832
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Energy: 1.2526541877463908
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Energy: 1.4417993204836312
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Energy: 1.4086051201852705
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Energy: 1.3354101689410498
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Energy: 1.3720858967082956
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Energy: 1.4912891073782788
Energy: 1.2624410253261222
Energy: 1.2423410727894202
Energy: 1.2537072734108916
Energy: 1.286835097845404
Energy: 1.2911786715731046
Energy: 1.2691766740592212
Energy: 1.2864127908505596
Energy: 1.4192632818531543
Energy: 1.4865973685727467
Energy: 1.5001271397414255
Energy: 1.4272800556211473
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Energy: 1.2883741259318577
Energy: 1.3242954064500245
Energy: 1.3356299377092464
Energy: 1.3220892420864894
Energy: 1.2634889241019465
Energy: 1.2331778979173462
Energy: 1.2334567761629185
Energy: 1.3630865656585676
Energy: 1.410996994615572
Energy: 1.4111543854373534
Energy: 1.5024671130454275
Energy: 1.339126064826223
Energy: 1.3272076342981651
Energy: 1.3474527778962022
Energy: 1.4723640280129053
Energy: 1.4752743029386781
Energy: 1.426751949160527
Energy: 1.391605556904219
Energy: 1.4372131276137678
Energy: 1.2384497293221937
Energy: 1.4030547545351029
Energy: 1.2694647844557005
Energy: 1.444790241657435
Energy: 1.266713329105552
Energy: 1.3061702163170434
Energy: 1.4693681445943918
Energy: 1.4726240127457917
Energy: 1.4763733725189876
Energy: 1.3888433962231133
Energy: 1.5264873489063984
Energy: 1.5066092716224322
Energy: 1.2321322836580901
Energy: 1.3264457234494873
Energy: 1.5165844414226042
Energy: 1.5317029768372186
Energy: 1.4788197695468368
Energy: 1.2724849694414864
Energy: 1.2555366077199637
Energy: 1.2549315565934411
Energy: 1.2952710603687736
Energy: 1.3378538267092503
Energy: 1.3385517377340272
Energy: 1.3380865643770476
Energy: 1.3725579153651006
Energy: 1.501461697326936
Energy: 1.4786451731935664
Energy: 1.4540041944449982
Energy: 1.2404920617456248
Energy: 1.2561482435986544
Energy: 1.2861838728924848
Energy: 1.3187349196036087
Energy: 1.2932240566285742
Energy: 1.2567598852263258
Energy: 1.2344764039140868
Energy: 1.233312479488947
Energy: 1.2081575260479693
Energy: 1.473704232384837
Energy: 1.393824871980079
Energy: 1.384733653151546
Energy: 1.2938063523912806
Energy: 1.3352859819603167
Energy: 1.2572560546079685
Energy: 1.358221714888342
Energy: 1.4059793720418825
Energy: 1.3795815222001337
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Energy: 1.4854102911220297
Energy: 1.3436716112956502
Energy: 1.3475952514545215
Energy: 1.4192033710421794
Energy: 1.494335691624673
Energy: 1.5048868230853418
Energy: 1.4850340334173944
Energy: 1.456542415811856
Energy: 1.4098133385385192
Energy: 1.2310395529680682
Energy: 1.1808803908452115
Energy: 1.390802333213502
Energy: 1.1839562263553118
Energy: 1.241383857611974
Energy: 1.2552047253988705
Energy: 1.4828537885014643
Energy: 1.4080660789052875
Energy: 1.242955423303867
Energy: 1.4117245275080272
Energy: 1.480760905514797
Energy: 1.3762255835824162
Energy: 1.474104110621742
Energy: 1.2040199043927817
Energy: 1.4918782914443225
Energy: 1.480204006145122
Energy: 1.477112343357277
Energy: 1.2538646732380887
Energy: 1.2444963335334396
Energy: 1.2904122007957741
Energy: 1.3205145471351258
Energy: 1.336083792338224
Energy: 1.3622610739861063
Energy: 1.3969481489768116
Energy: 1.3468895678221242
Energy: 1.414144261316152
Energy: 1.50672506740755
Energy: 1.419664265516601
Energy: 1.3851624463806669
Energy: 1.2874476082416024
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Energy: 1.2906410913979147
Energy: 1.2895931750344296
Energy: 1.3038548069524611
Energy: 1.2344496640589362
Energy: 1.2698337655670604
Energy: 1.3621470395388562
Energy: 1.4109395686813757
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Energy: 1.337864906211695
Energy: 1.334847314222916
Energy: 1.3393617057382934
Energy: 1.304856087776252
Energy: 1.4694728791446825
Energy: 1.4170299458190494
Energy: 1.5468338089391596
Energy: 1.4106094837597822
Energy: 1.2434687532093196
Energy: 1.2865049652536082
Energy: 1.2691818860102757
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Energy: 1.4694528312480004
Energy: 1.4681926502727807
Energy: 1.4756204337190044
Energy: 1.4812717675460223
Energy: 1.4087043514086501
Energy: 1.3819506908950483
Energy: 1.5134778158509448
Energy: 1.5198833572131067
Energy: 1.443149002196343
Energy: 1.2304346237187127
Energy: 1.2846627917371343
Energy: 1.4665676420042701
Energy: 1.4790261852910538
Energy: 1.256802878003477
Energy: 1.2307834075569866
Energy: 1.2490037529513116
Energy: 1.301682762271737
Energy: 1.3562470405676212
Energy: 1.342303828950987
Energy: 1.3547608644028408
Energy: 1.5146813952639275
Energy: 1.4815720259940972
Energy: 1.4727835205664015
Energy: 1.408980138278404
Energy: 1.245112124348551
Energy: 1.2598744718658355
Energy: 1.2822145636823623
Energy: 1.2880325635409968
Energy: 1.2973817745928007
Energy: 1.2231591080710749
Energy: 1.43234917363606
Energy: 1.484496987769591
Energy: 1.2011802723249316
Energy: 1.4543403627910894
Energy: 1.4040199335662855
Energy: 1.3998022828049697
Energy: 1.3501978721600922
Energy: 1.3517612703789987
Energy: 1.253671649728813
Energy: 1.2452539076279878
Energy: 1.2342465631070723
Energy: 1.2101245557690727
Energy: 1.2217340265251369
Energy: 1.1403914700372562
Energy: 1.41167699099665
Energy: 1.479990114574079
Energy: 1.4759671187770722
Energy: 1.3575016299863052
Energy: 1.3623795816255397
Energy: 1.3852846712637732
Energy: 1.4846652239836744
Energy: 1.1861401907393123
Energy: 1.471689213565682
Energy: 1.4013723394487352
Energy: 1.4100497781054981
Energy: 1.2883396372280462
Energy: 1.179993955560214
Energy: 1.231938152893831
Energy: 1.1800867792348515
Energy: 1.461345335318021
Energy: 1.4870011468556028
Energy: 1.4741542721489787
Energy: 1.2261067194913582
Energy: 1.2491990494469054
Energy: 1.3818989098807948
Energy: 1.3533663179899105
Energy: 1.3360921832879216
Energy: 1.3589640420762696
Energy: 1.2450595789777414
Energy: 1.233172697798685
Energy: 1.2294992780604899
Energy: 1.2270391074304206
Energy: 1.2267599239671316
Energy: 1.2606580588271727
Energy: 1.255315297549277
Energy: 1.2546777620513858
Energy: 1.3376058078759983
Energy: 1.3681969888294188
Energy: 1.4140834013678631
Energy: 1.476952288154415
Energy: 1.4867920463681195
Energy: 1.380099892446678
Energy: 1.3782361610383684
Energy: 1.382557063880688
Energy: 1.2558191760650625
Energy: 1.340680215454391
Energy: 1.2544276555730296
Energy: 1.3495469793423838
Energy: 1.23362412329021
Energy: 1.320927114151681
Energy: 1.3993679317587369
Energy: 1.497182891351069
Energy: 1.4093864619056686
Energy: 1.537599842577518
Energy: 1.4762702904964993
Energy: 1.3355186447283043
Energy: 1.3131168074719202
Energy: 1.3329860286754596
Energy: 1.2334200250084106
Energy: 1.2331725311243236
Energy: 1.3327281419154182
Energy: 1.2430184621965021

minimum gb energy = 1.1350849459066545 eV
minimum distance =  2.22480951697941 Angstroms
sigma value = 33


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

Energy: 1.608618549588361
Energy: 1.3755657504954764
Energy: 1.5609402292617263
Energy: 1.319061011150485
Energy: 1.3652581666884172
Energy: 1.5192209819310347
Energy: 1.4266335237040502
Energy: 1.4563603054635452
Energy: 1.3759973200850832
Energy: 1.400605957675456
Energy: 1.2540340475993774
Energy: 1.4449910021058572
Energy: 1.4793960306724798
Energy: 1.421191661221788
Energy: 1.4416782152634346
Energy: 1.497549767943099
Energy: 1.4271281491716556
Energy: 1.3767326217777176
Energy: 1.255893608481538
Energy: 1.2555481696006225
Energy: 1.253189026188097
Energy: 1.3804731156565249
Energy: 1.442221703279173
Energy: 1.310670602799471
Energy: 1.3760357340524332
Energy: 1.2612275887867843
Energy: 1.2560440434677251
Energy: 1.2558917535483762
Energy: 1.2554229875673848
Energy: 1.2456475414601496
Energy: 1.2514834578259657
Energy: 1.2539998515203323
Energy: 1.3950641362993734
Energy: 1.2978421387386163
Energy: 1.2637290425057948
Energy: 1.3522651050012955
Energy: 1.3763624328535367
Energy: 1.3825416683066556
Energy: 1.255442449691619
Energy: 1.2575069993470627
Energy: 1.2533242853960376
Energy: 1.2541741622086784
Energy: 1.3408149559147962
Energy: 1.442422354339373
Energy: 1.3631937052795806
Energy: 1.329236078467534
Energy: 1.5132359893631322
Energy: 1.5040320414199917
Energy: 1.2546179786119662
Energy: 1.2539646811971088
Energy: 1.5282548162646092
Energy: 1.4484658963336483
Energy: 1.4380345707517506
Energy: 1.449486460773978
Energy: 1.4167951826847638
Energy: 1.3292948390780042
Energy: 1.3157455248639909
Energy: 1.3811936047475457
Energy: 1.2550295850085973
Energy: 1.3975012940481164
Energy: 1.4587596716700004
Energy: 1.3869194894136403
Energy: 1.4380910242039917
Energy: 1.372580902492731
Energy: 1.3799535459970425
Energy: 1.3352495938887827
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Energy: 1.3384274688860354
Energy: 1.2126268185619078
Energy: 1.3823102546206345
Energy: 1.472079023941688
Energy: 1.4742619849352483
Energy: 1.4038846203629296
Energy: 1.2576660797832713
Energy: 1.2403526906997973
Energy: 1.3017656370780712
Energy: 1.2504097469711284
Energy: 1.253085285256731
Energy: 1.2567171208168888
Energy: 1.4432215398678465
Energy: 1.4527159853424279
Energy: 1.4372767510183688
Energy: 1.4577531969411524
Energy: 1.2386829387139013
Energy: 1.2543890157931983
Energy: 1.2519965613244042
Energy: 1.250713085238503
Energy: 1.2513656972278633
Energy: 1.2841206085484067
Energy: 1.2613296460458432
Energy: 1.4514206579808886
Energy: 1.3682826974953912
Energy: 1.5036912866346384
Energy: 1.2309205718196226
Energy: 1.2476422689535291
Energy: 1.3904697649853375
Energy: 1.2444920359296252
Energy: 1.2888881751466963
Energy: 1.3733575455204317
Energy: 1.3684104002988702
Energy: 1.4530899145663734
Energy: 1.4588588888787148
Energy: 1.418130776138622
Energy: 1.4077979979393194
Energy: 1.4652571876325315
Energy: 1.4490190513050316
Energy: 1.4257849606101398
Energy: 1.3764739025303825
Energy: 1.5365943543495562
Energy: 1.436489024890589
Energy: 1.437212977203669
Energy: 1.403519742453512
Energy: 1.2601145804879574
Energy: 1.2403398681093447
Energy: 1.464515281716119
Energy: 1.4844748146750208
Energy: 1.420341413913665
Energy: 1.4240149176756272
Energy: 1.4841968592986357
Energy: 1.3926557620566127
Energy: 1.2595122115903743
Energy: 1.2706304004128004
Energy: 1.2731918500291866
Energy: 1.2396218303187614
Energy: 1.2395385613522591
Energy: 1.4372882404551404
Energy: 1.3746857783313118
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Energy: 1.2533800789339775
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Energy: 1.2602683705064408
Energy: 1.4586423844223
Energy: 1.4290827838617561
Energy: 1.4435453519501236
Energy: 1.2507430196476235
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Energy: 1.2402529350684004
Energy: 1.2434383039293175
Energy: 1.2731466141125805
Energy: 1.2441373146993546
Energy: 1.3876128008833537
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Energy: 1.3878866820240767
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Energy: 1.365066673243763
Energy: 1.4257553444640725
Energy: 1.4564812140536112
Energy: 1.3766597221650028
Energy: 1.2685868266818667

minimum gb energy = 1.2126268185619078 eV
minimum distance =  2.20584284626749 Angstroms
sigma value = 219


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

Energy: 2.118211067931255
Energy: 1.2403552954257948
Energy: 1.2398871333234032
Energy: 1.2657528398871698
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Energy: 1.2182080672820446
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Energy: 1.23925280855255
Energy: 1.2170663326634419
Energy: 1.2385261768295368
Energy: 1.2401334114359983
Energy: 1.2205307586721545
Energy: 1.2093365774368154
Energy: 1.2232113886749112
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Energy: 1.2179476029207148
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Energy: 1.182109699012682
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Energy: 1.2176167973481717
Energy: 1.2211980543777068
Energy: 1.2163935226265192
Energy: 1.2030955101800598
Energy: 1.2037263268813014
Energy: 1.2483237260794697
Energy: 1.236839506205126

minimum gb energy = 1.1816309149700959 eV
minimum distance =  2.26170745605039 Angstroms
sigma value = 15


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

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Energy: 1.384464190693855
Energy: 1.4120600218683321
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Energy: 1.3918612115077382
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Energy: 1.4376226651480963
Energy: 1.628375670589922
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Energy: 1.552659891904348
Energy: 1.4724232321484791
Energy: 1.3977285479362211
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minimum gb energy = 1.351181126071721 eV
minimum distance =  2.23194747431893 Angstroms
sigma value = 293


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

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Energy: 1.3966382700458577
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Energy: 1.4796996320350737
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Energy: 1.4423135431844523
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Energy: 1.3892806720597033
Energy: 1.4028164067647038
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Energy: 1.521489261252308
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Energy: 1.6089056831981707
Energy: 1.4936719222636867
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Energy: 1.49919844541532
Energy: 1.3743585844629898
Energy: 1.4323153559762418
Energy: 1.4165074860914681
Energy: 1.417950275617741
Energy: 1.48309467427812
Energy: 1.3685535147631678
Energy: 1.4930989776084995
Energy: 1.4268650354327959
Energy: 1.4657604575345227
Energy: 1.5032686090465122
Energy: 1.490594026435942
Energy: 1.3940413538414973
Energy: 1.5594781796759467
Energy: 1.3973671100006049
Energy: 1.3499021451441147
Energy: 1.3950211641168397
Energy: 1.3721308979307874
Energy: 1.408308566503393
Energy: 1.3962435622922151
Energy: 1.4851459577282446
Energy: 1.4724905967296684
Energy: 1.580679819587639
Energy: 1.4178351877478357
Energy: 1.4163813583668043
Energy: 1.3332814874454009
Energy: 1.3484767954601533
Energy: 1.3702735968621624
Energy: 1.4279926487763832
Energy: 1.4566649614448857
Energy: 1.4893130908517602
Energy: 1.4352171932795783
Energy: 1.391524295123535
Energy: 1.423166321523681
Energy: 1.3361448415788755
Energy: 1.3367403758835077
Energy: 1.3600650618022103
Energy: 1.3838969766297036
Energy: 1.6905356948315486
Energy: 1.3634268535809797
Energy: 1.4275775035100726
Energy: 1.458233622340422

minimum gb energy = 1.332944512205421 eV
minimum distance =  2.23459264868304 Angstroms
sigma value = 293


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

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Energy: 1.3098453789954763
Energy: 1.3025253939982238
Energy: 1.487560706317571
Energy: 1.2463175200806984
Energy: 1.3820656922919043
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Energy: 1.2688767401122119
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Energy: 1.409140764572921
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Energy: 1.4879606522525946
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Energy: 1.2500127245175299
Energy: 1.2464925099811102
Energy: 1.2745280042668092
Energy: 1.4342016921753091
Energy: 1.3029339124496075
Energy: 1.4264329592184322
Energy: 1.229857718358228
Energy: 1.364956909250288
Energy: 1.262726263734986
Energy: 1.2648151097410116
Energy: 1.2474415395446445
Energy: 1.2647027947138816
Energy: 1.4337460424901882
Energy: 1.2752232928346638
Energy: 1.2494986005450373
Energy: 1.262623761563167
Energy: 1.3256817159085734
Energy: 1.2699517257219495
Energy: 1.3083228909614262
Energy: 1.3009302222501227
Energy: 1.3091992252853877
Energy: 1.2673279014287344
Energy: 1.2475638702617933
Energy: 1.406198337656044
Energy: 1.4527031223853046
Energy: 1.298062081671621
Energy: 1.4157941844051691
Energy: 1.410336845679451
Energy: 1.3002758079672483
Energy: 1.2499417793922971
Energy: 1.245451430103107
Energy: 1.245822705216666
Energy: 1.3014232786301974
Energy: 1.416649848302392
Energy: 1.3250010238116565
Energy: 1.3030957221538835
Energy: 1.300488355208468
Energy: 1.4874817527728335
Energy: 1.241987315244755
Energy: 1.2738010431402707
Energy: 1.2993482698850178
Energy: 1.2387144248198396
Energy: 1.2409978282850391
Energy: 1.2550206173967495
Energy: 1.2747306443782789
Energy: 1.4334232908336797
Energy: 1.2636897347050788
Energy: 1.3015514467964346
Energy: 1.2812843971047956
Energy: 1.238957382150995
Energy: 1.2461353997595723
Energy: 1.242131921270838
Energy: 1.2640440761580654
Energy: 1.3013437435198263
Energy: 1.2754646121601838
Energy: 1.3232062564141764
Energy: 1.4527886217435544
Energy: 1.2573834581048506
Energy: 1.4871694282974863
Energy: 1.3197319645769765
Energy: 1.3140456286570898
Energy: 1.257298635348356
Energy: 1.2657352178801764
Energy: 1.2724086350967674
Energy: 1.2717640635723946
Energy: 1.414642822316029
Energy: 1.2753116149680332
Energy: 1.2995329506119764
Energy: 1.431115222127298
Energy: 1.407378846502277
Energy: 1.3023468155761173
Energy: 1.2460011997905613
Energy: 1.2436769217401051
Energy: 1.2989851170148372
Energy: 1.2417079569793041
Energy: 1.2733265961507132

minimum gb energy = 1.125829889057362 eV
minimum distance =  2.28781462266963 Angstroms
sigma value = 15


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

Energy: 1.563471820442789
Energy: 1.3690424691779262
Energy: 1.3866232407220838
Energy: 1.3664707585067126
Energy: 1.3568022885846027
Energy: 1.3472532108712192
Energy: 1.4677179282216637
Energy: 1.3943240578648715
Energy: 1.3766961492377732
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Energy: 1.4278115126778548
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Energy: 1.355144884591387
Energy: 1.3565990042462974
Energy: 1.3526754090249482
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Energy: 1.4029401711463452
Energy: 1.5666218313013105
Energy: 1.5457328128094963
Energy: 1.6813483502088054
Energy: 1.4884486118472646
Energy: 1.4434145902338875
Energy: 1.3948350456636749
Energy: 1.3329407124588786
Energy: 1.3455195539284825
Energy: 1.3562143341587414
Energy: 1.5647351165940946
Energy: 1.3918990877426904
Energy: 1.3748521239630314
Energy: 1.3694658150955388
Energy: 1.538383266283198
Energy: 1.3539587029750655
Energy: 1.3948975303391509
Energy: 1.3657867286075946
Energy: 1.3573417484717678
Energy: 1.3750091826526927
Energy: 1.3357718944808292
Energy: 1.313735899767216
Energy: 1.3208138632632007
Energy: 1.4491400585979717
Energy: 1.347462822888828
Energy: 1.44414045045545
Energy: 1.5711159550982736
Energy: 1.562041484357452
Energy: 1.3875769867608865
Energy: 1.3688355022278573
Energy: 1.3315674388194785
Energy: 1.3362768271671155
Energy: 1.3767114399551568
Energy: 1.4581187734636836
Energy: 1.4579200622950546
Energy: 1.5716586646039248
Energy: 1.4903670641190598
Energy: 1.3787401534573651
Energy: 1.3746523389162253
Energy: 1.3468533134174925
Energy: 1.3781925555530974
Energy: 1.3748241170149744
Energy: 1.5391959496175376
Energy: 1.5172847717018587
Energy: 1.5181061812669123
Energy: 1.4493092330143351
Energy: 1.4842217890393672
Energy: 1.3430572001104415
Energy: 1.3346561114650901
Energy: 1.3944301934957828
Energy: 1.4902328811471457
Energy: 1.4622046774589266
Energy: 1.4199768323014612
Energy: 1.372471475135835
Energy: 1.3439264326250595
Energy: 1.4697455565913864
Energy: 1.4221239235345036
Energy: 1.3790695207305272
Energy: 1.4106368227940125
Energy: 1.393937977869813
Energy: 1.3952556660318804
Energy: 1.38589047396811
Energy: 1.415188377607026
Energy: 1.4080384576855496
Energy: 1.4115117226445961
Energy: 1.4723720110474918
Energy: 1.4111110530280502
Energy: 1.4235822441148682
Energy: 1.491097263394918
Energy: 1.3686189856736675
Energy: 1.3863727834527995
Energy: 1.3898826941920652
Energy: 1.4373026478632018
Energy: 1.4204386851095323
Energy: 1.4029296759936645
Energy: 1.4429322122030592
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Energy: 1.4178779811914233
Energy: 1.4765923047208507
Energy: 1.3901160086730562
Energy: 1.3896879608831316
Energy: 1.3971580021879175
Energy: 1.404492399495516
Energy: 1.430329714615968
Energy: 1.3995835966656585
Energy: 1.4129054278885487
Energy: 1.4031328819887199
Energy: 1.36701831894034
Energy: 1.4088445720052212
Energy: 1.4547765086416535
Energy: 1.3911547295598132
Energy: 1.3859092867609801
Energy: 1.3899538553872275
Energy: 1.5149147550553679
Energy: 1.4257016752176828
Energy: 1.4219148702861841
Energy: 1.4200855143760989
Energy: 1.4472919649485887
Energy: 1.4254204071450043
Energy: 1.4206469840133875
Energy: 1.4264877396150364
Energy: 1.3969839810536322
Energy: 1.3964731966364472
Energy: 1.5057283521773273
Energy: 1.4627492818419996
Energy: 1.4226774942896594
Energy: 1.5186445309282095
Energy: 1.4219957459522432
Energy: 1.4144030522723274
Energy: 1.4469864806137318
Energy: 1.470375548948425
Energy: 1.5319216536299416
Energy: 1.493100305040477
Energy: 1.4621474644458987
Energy: 1.3748374294071928
Energy: 1.3585413485496243
Energy: 1.533078324276803
Energy: 1.3421836875393856
Energy: 1.3664318958788462
Energy: 1.5627384975952372
Energy: 1.5187890407029876
Energy: 1.3705126014985867
Energy: 1.3723174668793567
Energy: 1.3322954180217508
Energy: 1.3371732006369543
Energy: 1.5058039774762961
Energy: 1.4376517036971088
Energy: 1.3775979841106478
Energy: 1.517259959315123
Energy: 1.3765194702596457
Energy: 1.3418132547958816
Energy: 1.3280087466948831
Energy: 1.3273117425764718
Energy: 1.3409634711180123
Energy: 1.3868046665827511
Energy: 1.5215262053919987
Energy: 1.5028560032761176
Energy: 1.423250707410183
Energy: 1.4619895614963314
Energy: 1.387673760900863
Energy: 1.3159422925015152
Energy: 1.312558845092891
Energy: 1.37636293811039
Energy: 1.3741331207147893
Energy: 1.3519381710724294
Energy: 1.5705916193267926
Energy: 1.446693892156519
Energy: 1.410628042791436
Energy: 1.449565628504288
Energy: 1.3783568034795959
Energy: 1.395498019181321
Energy: 1.5718068932455225
Energy: 1.3340227369646287
Energy: 1.5822622838468252
Energy: 1.3664370048567063
Energy: 1.396256926413478
Energy: 1.378174419956676
Energy: 1.4494640687616998
Energy: 1.3540805405440333
Energy: 1.5776943944376316
Energy: 1.566323722625154
Energy: 1.393585995856438
Energy: 1.3766462123015735
Energy: 1.3409791157232946
Energy: 1.3312734714670964
Energy: 1.3566862429815947
Energy: 1.4435084445336783
Energy: 1.3965368421200093
Energy: 1.5053021887769635
Energy: 1.413686102157647
Energy: 1.396836387346763
Energy: 1.358337996015492
Energy: 1.3877177326450596
Energy: 1.3523893244472316
Energy: 1.356683480505222
Energy: 1.3336263916750535
Energy: 1.4584177725682803
Energy: 1.486778264146742
Energy: 1.424312896649863
Energy: 1.3740323783063948
Energy: 1.4072087252426864
Energy: 1.35430662579646
Energy: 1.3508282712412993
Energy: 1.394314582075881
Energy: 1.402530740573663
Energy: 1.54720605747677
Energy: 1.541615668287029
Energy: 1.4821173292337837
Energy: 1.460168466468316
Energy: 1.3735175314881405
Energy: 1.3961185027080536
Energy: 1.3868728578471001
Energy: 1.4030960423559296
Energy: 1.4307647306734077
Energy: 1.4134180751134549
Energy: 1.4630525585078233
Energy: 1.3411609742927206
Energy: 1.3593777344796567
Energy: 1.4297702128096128
Energy: 1.3933159481725819
Energy: 1.4786873984385376
Energy: 1.4617229052637737
Energy: 1.433267689526059
Energy: 1.4011982031133354
Energy: 1.3948865358934643
Energy: 1.4554514898715212
Energy: 1.480196029759333
Energy: 1.4239491845774606
Energy: 1.4883989081852378
Energy: 1.357141944539487
Energy: 1.3663020534594588
Energy: 1.456271382357158
Energy: 1.377311945444514
Energy: 1.4323471399992103
Energy: 1.4338003062396654
Energy: 1.472378934422989
Energy: 1.498363867022942
Energy: 1.3979202062120455
Energy: 1.4842270459948415
Energy: 1.3898246117561208
Energy: 1.370166973247751
Energy: 1.4918534536305998
Energy: 1.4168811369188068
Energy: 1.4279907657937398
Energy: 1.3812071603276277
Energy: 1.397992764705471
Energy: 1.3731713367199374
Energy: 1.4579070409141732
Energy: 1.4109181412612224
Energy: 1.4582578326140867
Energy: 1.4212257848217285
Energy: 1.3422237932409828
Energy: 1.3680431465047793
Energy: 1.3512197094698875
Energy: 1.3525794420980415
Energy: 1.356438743310463
Energy: 1.4091557878053287
Energy: 1.4512788745667988
Energy: 1.4435102660544064
Energy: 1.426675182139745
Energy: 1.4486823493489445
Energy: 1.3800839127404023
Energy: 1.3332563916038032
Energy: 1.3452442566434393
Energy: 1.37829722062205
Energy: 1.394707929326892
Energy: 1.57161449759987
Energy: 1.487313723438022
Energy: 1.4212329686441891
Energy: 1.3974546199239335
Energy: 1.384936871797142
Energy: 1.3950640139549602
Energy: 1.380406715438426
Energy: 1.3636877499110467
Energy: 1.369963180203157
Energy: 1.565845235866302
Energy: 1.3947142340705438
Energy: 1.3797039114266536
Energy: 1.3708579773321874

minimum gb energy = 1.300447218774608 eV
minimum distance =  2.24550293104975 Angstroms
sigma value = 437


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

Energy: 1.5516777367844512
Energy: 1.3972844458490767
Energy: 1.4229735044651974
Energy: 1.414783532571519
Energy: 1.4550801376870777
Energy: 1.4764910797468878
Energy: 1.4343822015530072
Energy: 1.4160679924863153
Energy: 1.3979414237877945
Energy: 1.3825358479379635
Energy: 1.5562340900688882
Energy: 1.427245768563912
Energy: 1.5022566836069349
Energy: 1.5185338698822632
Energy: 1.4324871347766286
Energy: 1.3731298201620936
Energy: 1.3911711865999765
Energy: 1.394132380320532
Energy: 1.5006692274396543
Energy: 1.4189889912067872
Energy: 1.6081108525155179
Energy: 1.32975053611146
Energy: 1.3252030134870543
Energy: 1.4582333479743317
Energy: 1.3855493860288113
Energy: 1.4182335932835504
Energy: 1.4097382507163103
Energy: 1.4090163139104754
Energy: 1.3409841800215296
Energy: 1.5575037570304628
Energy: 1.5533080411377649
Energy: 1.4869404085093447
Energy: 1.54780601413377
Energy: 1.4708562785974857
Energy: 1.4054404926084407
Energy: 1.3924376907517992
Energy: 1.504825502952072
Energy: 1.4316884701241799
Energy: 1.5409583992486937
Energy: 1.5750970999478384
Energy: 1.418467410177708
Energy: 1.6292091540122482
Energy: 1.375801651674901
Energy: 1.4353696665102498
Energy: 1.5125898392465107
Energy: 1.5199606221274842
Energy: 1.5177224424626066
Energy: 1.524484456690478
Energy: 1.3236386714034953
Energy: 1.344772230788914
Energy: 1.3034827299808767
Energy: 1.3470373026907032
Energy: 1.3297869434589864
Energy: 1.6220304450929424
Energy: 1.5153139654046142
Energy: 1.3936637511818109
Energy: 1.4128042402056737
Energy: 1.4713965964269167
Energy: 1.3032884764866035
Energy: 1.3042499528756641
Energy: 1.3019639018891613
Energy: 1.32020657863154
Energy: 1.4148969904307893
Energy: 1.4090839631172967
Energy: 1.532274799751018
Energy: 1.4887616091888098
Energy: 1.363924366655604
Energy: 1.3691952948050181
Energy: 1.3499354098191048
Energy: 1.3487503806699876
Energy: 1.3025212223761014
Energy: 1.3172068715631762
Energy: 1.3154505878855591
Energy: 1.4178264527693734
Energy: 1.3661579466785068
Energy: 1.3501304150956146
Energy: 1.4672846195171174
Energy: 1.4226765426984518
Energy: 1.362868477156907
Energy: 1.3184140369686643
Energy: 1.5719095526858682
Energy: 1.3025025887960198
Energy: 1.3451793934802927
Energy: 1.5227064389637062
Energy: 1.4156432763988476
Energy: 1.3938184832696763
Energy: 1.4172750446920592
Energy: 1.4410790610139832
Energy: 1.438754421734863
Energy: 1.536664184464765
Energy: 1.5032323722660552
Energy: 1.3391882234755659
Energy: 1.3235011995859223
Energy: 1.4888793307870694
Energy: 1.406510453038726
Energy: 1.3878957652715314
Energy: 1.426793075184909
Energy: 1.4535039027034429
Energy: 1.395134927732654
Energy: 1.4316339230685795
Energy: 1.455519752139505
Energy: 1.3922195372985746
Energy: 1.545242378866722
Energy: 1.4346039449061303
Energy: 1.4346142094562602
Energy: 1.3963772549708529
Energy: 1.5044259632450347
Energy: 1.5621337276929455
Energy: 1.5647883326023595
Energy: 1.4795423279246527
Energy: 1.4456363346647458
Energy: 1.5592957733686161
Energy: 1.3514750362918744
Energy: 1.4841974423233595
Energy: 1.5151082395847488
Energy: 1.4016420326372567
Energy: 1.4615773649604107
Energy: 1.535141915297287
Energy: 1.323780003374017
Energy: 1.4987389100604867
Energy: 1.499585700632012
Energy: 1.4187720998168658
Energy: 1.3893520604063667
Energy: 1.55379174200481
Energy: 1.4924681235634523
Energy: 1.3836529871172616
Energy: 1.4207136499786641
Energy: 1.4371155438444605
Energy: 1.3259543690828404
Energy: 1.4321346132609512
Energy: 1.3923041473709528
Energy: 1.4209156443981263
Energy: 1.420622464612599
Energy: 1.4535784546750867
Energy: 1.5639983706033784
Energy: 1.565141293245308
Energy: 1.5075401312892451
Energy: 1.4400883482320088
Energy: 1.3770194790093437
Energy: 1.4373352968942654

minimum gb energy = 1.3019639018891613 eV
minimum distance =  2.24270810827348 Angstroms
sigma value = 33