Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.865952417254448
cohesive_energy=4.290335459264325
mass=55.845
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=[5.231026601178299e-21, 4.2665002457439595e-20, 1.223667210747402e-19, 2.10836831974596e-19, 2.8695784603257e-19, 3.5040243856233597e-19, 4.0488445500150593e-19, 4.52688599230164e-19, 4.9464800309799e-19, 5.31006197453352e-19, 5.61989089201644e-19, 5.88003631207902e-19, 6.095913591744179e-19, 6.27337067572602e-19, 6.41795109517818e-19, 6.534637619432399e-19, 6.6277240818678e-19, 6.700991619340619e-19, 6.757756737483239e-19, 6.80104755013392e-19, 6.833411518140719e-19, 6.855906078082079e-19, 6.86905994824722e-19, 6.87333775986e-19, 6.86873951292042e-19, 6.853951422588599e-19, 6.827227116333479e-19, 6.78646774276452e-19, 6.72917390633268e-19, 6.652237384368e-19, 6.551893061780579e-19, 6.42351064809816e-19, 6.261274242139319e-19, 6.0579259837520395e-19, 5.804381531421539e-19, 5.4892173657474e-19, 5.0979658317246e-19, 4.61233007219286e-19, 4.0087100253333596e-19, 3.25576711618506e-19, 2.3101144014992395e-19, 1.1082992778629638e-19, -4.4576078746474803e-20, -2.4976972418079596e-19, -5.26172430548574e-19, -9.046818538011719e-19, -1.43019098322327e-18, -2.1711576220324198e-18, -3.2439270308598e-18, -4.8720909698632796e-18]
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: 0.016122489063466867
Energy: 0.01625946108297382
Energy: 1.721625463846809
Energy: 0.016784270509465873
Energy: 0.016620136248296977
Energy: 1.7192115821816718
Energy: 0.016437556312919467
Energy: 0.016518950964861855
Energy: 0.20333639178271853
Energy: 0.3915133546543479
Energy: 0.16877516939516565
Energy: 0.39092202198616116
Energy: 0.20218076080283254
Energy: 0.16837460641204
Energy: 0.16854165350996186
Energy: 0.20460298723332196
Energy: 0.3915066543586995
Energy: 0.16824019958687722
Energy: 0.3904097827271815
Energy: 0.20211664894462925
Energy: 0.16870664805761112
Energy: 0.1692865709012449
Energy: 0.39187231817002555
Energy: 0.2030270867094948
Energy: 0.16912115112947737
Energy: 0.16967910135053918
Energy: 0.20272767216047946
Energy: 0.16850585872648358
Energy: 0.1682341442816799
Energy: 0.20220342864680352
Energy: 0.3914144597010919
Energy: 0.1696827192749551
Energy: 0.3902382288373461
Energy: 0.2018726931612339
Energy: 0.1690344357237167
Energy: 0.016548886396525596
Energy: 0.20183556793855803
Energy: 0.3908104485116265
Energy: 0.01702671659863332
Energy: 0.01729416733984467
Energy: 0.3923452946290319
Energy: 0.16831566838642462

minimum gb energy = 0.016122489063466867 eV
minimum distance =  2.45061092367367 Angstroms
sigma value = 5


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

Energy: 2.3663277402815392
Energy: 1.2785800526730817
Energy: 1.414916693897263
Energy: 1.2733794293144607
Energy: 1.2592241527675379
Energy: 2.15923198294614
Energy: 1.2798437689095963
Energy: 1.3373852251492044
Energy: 1.3306040977928921
Energy: 1.3282242218497116
Energy: 1.342698323501905
Energy: 1.3450372896285587
Energy: 1.3350886823628347
Energy: 1.315471757680265
Energy: 1.3021134718563592
Energy: 1.3430382431917212
Energy: 1.3679290734160112
Energy: 1.3248562981356666
Energy: 1.3622722786135095
Energy: 1.3673259552118626
Energy: 1.3187460333597847
Energy: 1.284379096600203
Energy: 1.345696550501752
Energy: 1.3653059376697119
Energy: 1.318274986853039
Energy: 1.3478630875949416
Energy: 1.361087067584222
Energy: 1.311052972910264
Energy: 1.3184078097293892
Energy: 1.3421521609481641
Energy: 1.3493901481735602
Energy: 1.314140739959051
Energy: 1.3319724583328378
Energy: 1.3569710489945304
Energy: 1.326946688538046
Energy: 1.3286702054189072
Energy: 1.316307566763987
Energy: 1.3112509831206736
Energy: 1.3534342384635663
Energy: 1.338559409470945
Energy: 1.3115014654667119
Energy: 1.3449563720034228
Energy: 1.3171158969051437
Energy: 1.3057445930763383
Energy: 1.3272353255853084
Energy: 1.3668783333151293
Energy: 1.3533674418108996
Energy: 1.31421624452368
Energy: 1.353682020370331
Energy: 1.331673766432056
Energy: 1.313894628716561
Energy: 1.3185928034923058
Energy: 1.3558658544931734
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Energy: 1.3229232126800485
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Energy: 1.3642351231244871
Energy: 1.3366983328751905
Energy: 1.2920871265736438
Energy: 1.286822336826717
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Energy: 1.3220193678057948
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Energy: 1.4157232445716987
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Energy: 1.3427646668011424
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Energy: 1.30651272433429
Energy: 1.3764932321456942
Energy: 1.2889276050023764
Energy: 1.35542919553052
Energy: 1.3767597210707345
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Energy: 1.3916394290746992
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Energy: 1.2656795720162861
Energy: 1.2845543390756373
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Energy: 1.2767814092170158
Energy: 1.279283218038938
Energy: 1.2980104095535479
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Energy: 1.2526192015082742
Energy: 1.2931924317617844
Energy: 1.3061463833087463
Energy: 1.2778973788112953
Energy: 1.3071097393093014
Energy: 1.2985199442427289
Energy: 1.2537932422262665
Energy: 1.2712808763744607
Energy: 1.3851149998526484
Energy: 1.2927613510482718
Energy: 1.2808158601098254
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Energy: 1.3011810559382155
Energy: 1.3514435932695943
Energy: 1.3201213491535917
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Energy: 1.2935304369120117
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Energy: 1.3310535578546865
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Energy: 1.3349203212467395
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Energy: 1.2945337894182958
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Energy: 1.3244119157625038
Energy: 1.2792594504383425
Energy: 1.2501027385445957
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Energy: 1.2970125616288415
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Energy: 1.383126336404525
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Energy: 1.2666422951578524
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Energy: 1.295333469208026
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Energy: 1.2873867895133184
Energy: 1.3080516780047537
Energy: 1.2407124625400885
Energy: 1.2900300155507591
Energy: 1.3140563263161853
Energy: 1.2469979828533297
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Energy: 1.2791580231051036
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Energy: 1.255111256349818
Energy: 1.2884338670789082
Energy: 1.3091922822893587
Energy: 1.2545061346462423
Energy: 1.2913513669706835
Energy: 1.3133679024255154
Energy: 1.26259744414971
Energy: 1.371595109930884
Energy: 1.2753164562753534
Energy: 1.3288312536715954
Energy: 1.3250931564711363
Energy: 1.2679988604292793
Energy: 1.2540537295329721
Energy: 1.3123908557768134
Energy: 1.357724152456002
Energy: 1.3201281259795743
Energy: 1.338318089652156
Energy: 1.2997361110092625
Energy: 1.284359181453287
Energy: 1.291920673982762
Energy: 1.2911427668176034
Energy: 1.3761089998709444
Energy: 1.3169695759072515
Energy: 1.2756148954013644
Energy: 1.3321707830916345
Energy: 1.326281738689067
Energy: 1.2633885355305443
Energy: 1.4019722802858772
Energy: 1.3127500426214633
Energy: 1.2885962272926743
Energy: 1.280692872045277
Energy: 1.252812030945917
Energy: 1.3375007378969914
Energy: 1.280739708200457
Energy: 1.3114752024291274
Energy: 1.3187825284857055
Energy: 1.3591267200548398
Energy: 1.3449636022745477
Energy: 1.2529472669616675
Energy: 1.3652387097407772
Energy: 1.2965721466199278
Energy: 1.3686900791975292
Energy: 1.3395462223500731
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Energy: 1.3772670473622606
Energy: 1.3002785606278944
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Energy: 1.2739884445680179
Energy: 1.270637859013197
Energy: 1.2559139040578091
Energy: 1.2532032144111172
Energy: 1.2529014305958353
Energy: 1.3078814646807044
Energy: 1.290881611319753
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Energy: 1.2641463095743442
Energy: 1.241868489597456
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Energy: 1.2884594902960491
Energy: 1.231320587347541
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Energy: 1.2921168753363348
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Energy: 1.3041903082572652
Energy: 1.3205270802686182
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Energy: 1.281677802358595
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Energy: 1.3186660978059122
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Energy: 1.2778903385481468
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Energy: 1.304553953086257
Energy: 1.2794996604240074
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Energy: 1.2723421055360018
Energy: 1.3523886902194238
Energy: 1.2887665073389358
Energy: 1.2778067273001685
Energy: 1.4029512328412665
Energy: 1.3396112947469292
Energy: 1.2826273301897186
Energy: 1.2979484965213108
Energy: 1.2916221889688666
Energy: 1.3281654044313216
Energy: 1.3165568276640096
Energy: 1.3475840717563707
Energy: 1.4158696472276238
Energy: 1.3349026477977084
Energy: 1.3732622535983434
Energy: 1.2786902782109866
Energy: 1.288041688267187
Energy: 1.3739421652893584
Energy: 1.2977076851371454
Energy: 1.2570611425935743
Energy: 1.2667406352366442
Energy: 1.2984672896250127
Energy: 1.349553371995997
Energy: 1.2752292911732632
Energy: 1.3027175578999228
Energy: 1.345798052549398
Energy: 1.254193831451953
Energy: 1.2836989463550283
Energy: 1.2969608687106065
Energy: 1.3055560691334591
Energy: 1.2787857129661686
Energy: 1.315637905405779
Energy: 1.293425461747752
Energy: 1.2481035407369603
Energy: 1.2795826375306996
Energy: 1.2945181091079359
Energy: 1.2907468605879424
Energy: 1.2758288428339781
Energy: 1.308605742184479
Energy: 1.284888219095699
Energy: 1.38034415440429
Energy: 1.3182670060689359
Energy: 1.3170939903078147
Energy: 1.3988118498245619
Energy: 1.3784670862019857
Energy: 1.3050396429361888
Energy: 1.372919180181921
Energy: 1.2973770219632672
Energy: 1.3309723626782186
Energy: 1.3465859103806008
Energy: 1.3072635726688797
Energy: 1.345062896976028
Energy: 1.3483036963451562
Energy: 1.2991142217112004
Energy: 1.295600475391759
Energy: 1.3420121534051181
Energy: 1.3655358290983122
Energy: 1.3201136126027617
Energy: 1.358091793688081
Energy: 1.367679663643114
Energy: 1.3277883722507444
Energy: 1.2931915615481573
Energy: 1.3780731981545105
Energy: 1.4126453823778744
Energy: 1.3140562791561785
Energy: 1.3744315087080112
Energy: 1.393565253304651
Energy: 1.3211142545492924
Energy: 1.3039805774101447
Energy: 1.348539954479966
Energy: 1.3249101343415959
Energy: 1.2837520392909874
Energy: 1.2817945035670353
Energy: 1.2828167689453083
Energy: 1.3425085083268922

minimum gb energy = 1.231320587347541 eV
minimum distance =  2.29416426101601 Angstroms
sigma value = 401


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

Energy: 2.038697009624119
Energy: 1.7289894955625147
Energy: 1.9091929675768002
Energy: 1.5971843747093886
Energy: 1.5977458404059641
Energy: 1.38959517452604
Energy: 1.736610420844006
Energy: 1.3450780999854366
Energy: 1.3135308879741858
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Energy: 1.308968265689153
Energy: 1.2671129204756342
Energy: 1.3267749257238042
Energy: 1.3399046693384582
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Energy: 1.295064626497455
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Energy: 1.4127691259899542
Energy: 1.3018025262592063
Energy: 1.3971499917949581
Energy: 1.2974704705697049
Energy: 1.3189417810021733
Energy: 1.3968085497481955
Energy: 1.4389737245869403
Energy: 1.3000278279824704
Energy: 1.3146149385871273
Energy: 1.4662773611094795
Energy: 1.3107736852829865
Energy: 1.2914771160758922
Energy: 1.3846322111870089
Energy: 1.3227866967853443
Energy: 1.4963476890008394
Energy: 1.4305052678751693
Energy: 1.403091191315424
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Energy: 1.4004187633348468
Energy: 1.3946936174087907
Energy: 1.4913305965558767
Energy: 1.4752704272789174
Energy: 1.4210860302842123
Energy: 1.401009307247898
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Energy: 1.4020919923556714
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Energy: 1.3665576261747727
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Energy: 1.380828323675106
Energy: 1.3561948028859905
Energy: 1.3668345451353356
Energy: 1.3471122044069237
Energy: 1.3845017396670254
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Energy: 1.3894754946387333
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Energy: 1.352175547620491
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Energy: 1.3895127286085078
Energy: 1.2556377082113184
Energy: 1.3363592729489642
Energy: 1.4090017179336223
Energy: 1.2747867113998068
Energy: 1.2741099677330763
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Energy: 1.2605092311346948
Energy: 1.316396158168735
Energy: 1.403007046579021
Energy: 1.2571113874346356
Energy: 1.2562284339306977
Energy: 1.3845123458702386
Energy: 1.3471859816395093
Energy: 1.3867209226306227
Energy: 1.350012877537203
Energy: 1.4548268025302127
Energy: 1.392751388454755
Energy: 1.3210445535804545
Energy: 1.4465228756721058
Energy: 1.3858812191856504
Energy: 1.370820603602318
Energy: 1.4020480207217085
Energy: 1.5111305076438504
Energy: 1.3922371806355205
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Energy: 1.5081431590705987
Energy: 1.4201846026787643
Energy: 1.3962210192065474
Energy: 1.3984258802965615
Energy: 1.5055492006732454
Energy: 1.438273962444051
Energy: 1.3983226807024083
Energy: 1.5038241565057522
Energy: 1.433705657466592
Energy: 1.4948383417243007
Energy: 1.4183480187678077
Energy: 1.4177143348095902
Energy: 1.4833200831082136
Energy: 1.3597012938141961
Energy: 1.4136230163768508
Energy: 1.4788931776629821
Energy: 1.491929492901051
Energy: 1.4140653272751835
Energy: 1.3943995252389856
Energy: 1.4966144253747662
Energy: 1.4955282931447105
Energy: 1.3824662109077535
Energy: 1.4673221676763148
Energy: 1.49584123484436
Energy: 1.4183239995376982
Energy: 1.4196207939906402
Energy: 1.4849100869076004
Energy: 1.5123559472918862
Energy: 1.415790116286132
Energy: 1.4529695163432228
Energy: 1.3973444015979701
Energy: 1.3391439622497097
Energy: 1.3943841630126816
Energy: 1.3873465868163206
Energy: 1.4006464154626206
Energy: 1.412152754698154
Energy: 1.4618195745866691
Energy: 1.5311449989320745
Energy: 1.3808988435027538
Energy: 1.7284759759418662
Energy: 1.4293495348426974
Energy: 1.3991538682342672
Energy: 1.7272454541404323
Energy: 1.4237160068608372
Energy: 1.3790565722787909
Energy: 1.3974644999423254
Energy: 1.43081012255231
Energy: 1.3821315678334316
Energy: 1.3829343322490006
Energy: 1.3828855906680344
Energy: 1.4336644814866495
Energy: 1.556121483170772
Energy: 1.4662304688938221
Energy: 1.4176018884700952
Energy: 1.4790144491886048
Energy: 1.548083380165296
Energy: 1.4259532102464918
Energy: 1.4965382960024263
Energy: 1.5577954969129042
Energy: 1.4638978539163772
Energy: 1.4349685070206069
Energy: 1.507549609616359
Energy: 1.5310987420592752
Energy: 1.4347656958440478
Energy: 1.4927964137209409
Energy: 1.5508604897125597
Energy: 1.454579982864574
Energy: 1.4345417846172666
Energy: 1.4700890260883457
Energy: 1.4072032516837825
Energy: 1.4429837640292673
Energy: 1.4582357467762965
Energy: 1.3460384490889064
Energy: 1.3689034604980508
Energy: 1.3813721382596027
Energy: 1.391236633946394
Energy: 1.3039862989744146
Energy: 1.3794386441326763
Energy: 1.3890396347974228
Energy: 1.34343237103646
Energy: 1.3627617331602226
Energy: 1.3907475227413253
Energy: 1.36165021610545
Energy: 1.3613231224703894
Energy: 1.3711964738734197
Energy: 1.3708204141424956
Energy: 1.3681282686144174
Energy: 1.355423119975506
Energy: 1.394728325844682
Energy: 1.380500636627767
Energy: 1.335129697062463
Energy: 1.379228748027095
Energy: 1.3733092317311761
Energy: 1.4069794043844146
Energy: 1.301912552581323
Energy: 1.4661445699422522
Energy: 1.2999689950518116
Energy: 1.3073831326442593
Energy: 1.3845112503665404
Energy: 1.2975950437235337
Energy: 1.4220896130892833
Energy: 1.3298069336832596
Energy: 1.3932337349131951
Energy: 1.296717169785571
Energy: 1.3472515985010272
Energy: 1.5257097034622826
Energy: 1.4674505051875286
Energy: 1.3158004002599866
Energy: 1.2950778747433975
Energy: 1.3693385547288637
Energy: 1.3176237667985078
Energy: 1.3185801878856769
Energy: 1.3792704773136877
Energy: 1.3165442307192063
Energy: 1.3375903452309355
Energy: 1.259336542415967
Energy: 1.3274912412018707
Energy: 1.25658427525728
Energy: 1.2579055442543055
Energy: 1.3273481764136965
Energy: 1.3120788475297283

minimum gb energy = 1.2556377082113184 eV
minimum distance =  2.28738506867046 Angstroms
sigma value = 311


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

Energy: 1.489498536666879
Energy: 1.4749051033987999
Energy: 1.4546476138000128
Energy: 1.3870844403111453
Energy: 1.4905276418091726
Energy: 1.5654447971064265
Energy: 1.6060081879845627
Energy: 1.325888759978097
Energy: 1.3580291597125242
Energy: 1.340027135617729
Energy: 1.382361592933341
Energy: 1.3750135635157053
Energy: 1.357624783776676
Energy: 1.3677567196952074
Energy: 1.3774762022682079
Energy: 1.3277359798763637
Energy: 1.3613570305497817
Energy: 1.3985570786392538
Energy: 1.377760565162679
Energy: 1.4793220075608242
Energy: 1.332612205103472
Energy: 1.4351243531656244
Energy: 1.29538415156932
Energy: 1.3417217457619932
Energy: 1.4346677009370212
Energy: 1.4813572772627899
Energy: 1.4684286919458192
Energy: 1.4885645019923404
Energy: 1.4385872746700668
Energy: 1.4156337831797279
Energy: 1.3978985063144582
Energy: 1.43805267033727
Energy: 1.3653004090976555
Energy: 1.370121491873573
Energy: 1.4381049533195107
Energy: 1.5237626340336723
Energy: 1.4891857552999896
Energy: 1.4335755518354865
Energy: 1.3777623849351335
Energy: 1.3968088323445456
Energy: 1.4413523849220296
Energy: 1.4510906586363228
Energy: 1.4977140008218515
Energy: 1.499911869539261
Energy: 1.4792224966153145
Energy: 1.551086784667983
Energy: 1.4910668760915413
Energy: 1.4791713622889675
Energy: 1.516990829568733
Energy: 1.3679567696538475
Energy: 1.3729141472686428
Energy: 1.3765016601680622
Energy: 1.4132932318310774
Energy: 1.37296664828003
Energy: 1.3743906991967831
Energy: 1.4190993324782302
Energy: 1.479073256665098
Energy: 1.3614111204113548
Energy: 1.3869678986251726
Energy: 1.482274962701887
Energy: 1.3722454496377239
Energy: 1.4333723676684387
Energy: 1.4454966495033041
Energy: 1.475537517459645
Energy: 1.4504486973652377
Energy: 1.4893958848108346
Energy: 1.4942147721256551
Energy: 1.410754496414438
Energy: 1.40158283035648
Energy: 1.4967538892822103
Energy: 1.422502058862982
Energy: 1.4095788228873953
Energy: 1.4271677173786237
Energy: 1.4460563521553071
Energy: 1.4117995406928108
Energy: 1.3776581342800178
Energy: 1.396959320527244
Energy: 1.400303603951261
Energy: 1.4906178157638978
Energy: 1.4907596983245985
Energy: 1.4998774292202959
Energy: 1.4417305715138449
Energy: 1.45966447123966
Energy: 1.4758046921400365
Energy: 1.491138303599893
Energy: 1.4068561544110565
Energy: 1.3934057097083201
Energy: 1.355109158519749
Energy: 1.3927134328340298
Energy: 1.3546928719748133
Energy: 1.3539198721320347
Energy: 1.4118650662777412
Energy: 1.4114727083559324
Energy: 1.3909250873025856
Energy: 1.3775964755472851
Energy: 1.4240757035604923
Energy: 1.4167535807471932
Energy: 1.390217445858826
Energy: 1.3907240588035872
Energy: 1.4399514924138845
Energy: 1.4075856178598605
Energy: 1.3878752594940393
Energy: 1.4681866876840297
Energy: 1.4654961958242858
Energy: 1.435426978131115
Energy: 1.4187689337786706
Energy: 1.524548669572057
Energy: 1.4387468670763457
Energy: 1.506525485141341
Energy: 1.4663765494996204
Energy: 1.5378843903367807
Energy: 1.4115913533782345
Energy: 1.4140303760074153
Energy: 1.465086510904321
Energy: 1.4182101881115614
Energy: 1.3480555699373409
Energy: 1.4468115166686264
Energy: 1.4117400995978318
Energy: 1.4089728189764688
Energy: 1.4968047326590836
Energy: 1.4482179289356327
Energy: 1.4175999036635525
Energy: 1.417857710724598
Energy: 1.423438942547613
Energy: 1.440975540894358
Energy: 1.4132689247034849
Energy: 1.4749266945866781
Energy: 1.5355179258689085
Energy: 1.5130478724301064
Energy: 1.4866254269582195
Energy: 1.4887719563185056
Energy: 1.5158134137952612
Energy: 1.47686044737876
Energy: 1.3745553262362675
Energy: 1.376158538290301
Energy: 1.3803307095945792
Energy: 1.3894517872210321
Energy: 1.439670568868383
Energy: 1.3332355145503059
Energy: 1.3597072099935432
Energy: 1.387778887287774
Energy: 1.4776455121429004
Energy: 1.3466563567812782
Energy: 1.393134003324679
Energy: 1.3708374429378851
Energy: 1.461442805244516
Energy: 1.3801579990773518
Energy: 1.3374024401735114
Energy: 1.3601010089901844
Energy: 1.4479730504813322
Energy: 1.511698336206844
Energy: 1.3341356001866065
Energy: 1.3386578821525958
Energy: 1.3782274632620775
Energy: 1.3254847294096062
Energy: 1.3385522031430244
Energy: 1.3273752850630849
Energy: 1.4315410391402767
Energy: 1.338895530406708
Energy: 1.327542423747457
Energy: 1.3438904065501873
Energy: 1.4389305482532373
Energy: 1.4410688810333088
Energy: 1.486692269798521
Energy: 1.51813721811612
Energy: 1.445819206289691
Energy: 1.3439289282439835
Energy: 1.4528882605069906
Energy: 1.4265862752745235
Energy: 1.3309873253919247
Energy: 1.2447432033456947
Energy: 1.3708089658480576
Energy: 1.3557197460642552
Energy: 1.2449489216731375
Energy: 1.35451568870845
Energy: 1.3258007989045424
Energy: 1.3381874801957077
Energy: 1.3265587217773196
Energy: 1.4458006184652346
Energy: 1.3378635483848134
Energy: 1.3267536418623962
Energy: 1.3452152725701985
Energy: 1.3465563630079027
Energy: 1.3530837108345137
Energy: 1.3353168901055872
Energy: 1.4264930015406667
Energy: 1.3345463168116418
Energy: 1.3515019839569666
Energy: 1.3813752917057425
Energy: 1.3456132330861288
Energy: 1.4167384766937352
Energy: 1.323510976856391
Energy: 1.3698007294350367
Energy: 1.4771004663245968
Energy: 1.4136225636806934
Energy: 1.3589125233291692
Energy: 1.3696748581785836
Energy: 1.3341806438474024
Energy: 1.3335783637575807
Energy: 1.4271116832090445
Energy: 1.3950852237848974
Energy: 1.3858898233462453
Energy: 1.381305936141867
Energy: 1.510652390593438
Energy: 1.511610433032144
Energy: 1.5180300349872393
Energy: 1.5475888854911135
Energy: 1.5256653503835456
Energy: 1.5165041419416962
Energy: 1.5086483356890603
Energy: 1.3968711448892768
Energy: 1.3774307473522978
Energy: 1.4931620506856416
Energy: 1.5008143836027314
Energy: 1.4865845376495828
Energy: 1.4965227435026325
Energy: 1.4934490173662942
Energy: 1.3477510219287032
Energy: 1.3632863100582269
Energy: 1.3427465359608626
Energy: 1.3676792703116052
Energy: 1.3339063172412953
Energy: 1.4042160110247957
Energy: 1.411473177737387
Energy: 1.4990672848785618
Energy: 1.5678998885412625
Energy: 1.523253858015808
Energy: 1.4646003360918753
Energy: 1.4433741384334542
Energy: 1.3555651523847572
Energy: 1.4460658177509853
Energy: 1.3503048906189
Energy: 1.3329048412865567
Energy: 1.3450903442101891
Energy: 1.3430146267165772
Energy: 1.4538410829556807
Energy: 1.3593381256178911
Energy: 1.487330582086248
Energy: 1.3660152689801688
Energy: 1.3422228535503173
Energy: 1.466369897452753
Energy: 1.4234793631072669
Energy: 1.4579620779189122
Energy: 1.3441324525013951
Energy: 1.3243768721777631
Energy: 1.525941618183837
Energy: 1.4486996295988308
Energy: 1.4362550196194477
Energy: 1.4533832023251587
Energy: 1.4651707864241341
Energy: 1.4927575543815836
Energy: 1.5449678346201186

minimum gb energy = 1.2447432033456947 eV
minimum distance =  2.2710565486129 Angstroms
sigma value = 39


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

Energy: 1.5598362667125003
Energy: 1.560470609617157
Energy: 1.2810728540833127
Energy: 1.5620316774099334
Energy: 1.559931512540035
Energy: 1.4317154724904586
Energy: 1.5603704261169562
Energy: 1.3645987456344042
Energy: 1.2788909994590787
Energy: 1.2793688543403183
Energy: 1.370351721854483
Energy: 1.2789519981822561
Energy: 1.2802547397001436
Energy: 1.371356769711258
Energy: 1.370187562188778
Energy: 1.2263524372926815
Energy: 1.2924014827980443
Energy: 1.3707784540486774
Energy: 1.281978327210754
Energy: 1.279458031154747
Energy: 1.2909984876776368
Energy: 1.3848496479463859
Energy: 1.231086829084911
Energy: 1.4002739644297455
Energy: 1.3714788384037147
Energy: 1.3378799311005638
Energy: 1.2422678143471668
Energy: 1.3691668903929746
Energy: 1.381174278503711
Energy: 1.2258571856926213
Energy: 1.2910957754996106
Energy: 1.3506280071964007
Energy: 1.2253536187716039
Energy: 1.279707463999358
Energy: 1.2909388030500741
Energy: 1.2904964745317342
Energy: 1.226228619750513
Energy: 1.2825036913309922
Energy: 1.348286986765226
Energy: 1.277042819028917
Energy: 1.2836520706682741
Energy: 1.2954773250136036
Energy: 1.2908060559613708
Energy: 1.27599907544215
Energy: 1.279852640145266
Energy: 1.3389255068435
Energy: 1.2807216745454388
Energy: 1.2746280449666103
Energy: 1.347765214045716
Energy: 1.2953574401146628
Energy: 1.2827837572998868
Energy: 1.275373604459938
Energy: 1.2938507245495168
Energy: 1.2818730005866816
Energy: 1.2258066091589739
Energy: 1.3559275225878196
Energy: 1.2900809257926393
Energy: 1.309265629264225
Energy: 1.278240886518186
Energy: 1.3504447572768912
Energy: 1.2922806328355536
Energy: 1.2253259925525588
Energy: 1.3519491743940644
Energy: 1.2924168117909893
Energy: 1.3083205888375247
Energy: 1.4235261544575486
Energy: 1.351231461268208
Energy: 1.3544390455595943
Energy: 1.4236734747486302
Energy: 1.3780898308451448
Energy: 1.2944969476092207
Energy: 1.2798820338437176
Energy: 1.2788933036468695
Energy: 1.374278374800614
Energy: 1.279619854837838
Energy: 1.2825216547621694
Energy: 1.3727776102907472
Energy: 1.3701506122249127
Energy: 1.2738579053745793
Energy: 1.2918622802299988
Energy: 1.3706215567083213
Energy: 1.2811400152138244
Energy: 1.2797207209540273
Energy: 1.3736378463840253
Energy: 1.3870702298734947
Energy: 1.29961130561331
Energy: 1.476028035187931
Energy: 1.4772616609033937
Energy: 1.3411457136543843
Energy: 1.1980181659165616
Energy: 1.477115796166155
Energy: 1.3709932238766476
Energy: 1.2829533064019825
Energy: 1.2919197672698126
Energy: 1.369944238585787
Energy: 1.2814097877090558
Energy: 1.278977288180151
Energy: 1.374493964011843
Energy: 1.364638770972928
Energy: 1.2919478733911418
Energy: 1.4234237289904694
Energy: 1.3700622644215852
Energy: 1.2916450787301283
Energy: 1.423430428833088
Energy: 1.3712658356834029
Energy: 1.5595666390540444
Energy: 1.3977547562651031
Energy: 1.2810978873688124
Energy: 1.5612247317327341
Energy: 1.5601543924605525
Energy: 1.4619095178062862
Energy: 1.4750030438224564
Energy: 1.3745121427786369
Energy: 1.279014362107298
Energy: 1.2792848319262429
Energy: 1.3703159906852909
Energy: 1.278875330117553
Energy: 1.280276874278717
Energy: 1.3711067722656987
Energy: 1.3698612991960994
Energy: 1.2263408728699539
Energy: 1.2926141290586535
Energy: 1.3707841537619236
Energy: 1.28231383116537
Energy: 1.2795076181605813
Energy: 1.2908183879349941
Energy: 1.3846870561728786
Energy: 1.1988514830396058
Energy: 1.3983127981580041
Energy: 1.3633020395309459
Energy: 1.3378414290584029
Energy: 1.2419792526309716
Energy: 1.3706498567575232
Energy: 1.391783606083873
Energy: 1.2256512023321722
Energy: 1.2909891446718627
Energy: 1.3497239151388591
Energy: 1.225342024611294
Energy: 1.2795537114203728
Energy: 1.291081550564073
Energy: 1.290503799942625
Energy: 1.2262439234017681
Energy: 1.282264362987945
Energy: 1.348825415937165
Energy: 1.2773572583928452
Energy: 1.2273343241156336
Energy: 1.295839669944291
Energy: 1.2921602180003795
Energy: 1.275994752061993
Energy: 1.2799908787224774
Energy: 1.337900254611284
Energy: 1.2810124794527757
Energy: 1.274700268317006
Energy: 1.3473072270266642
Energy: 1.2949871169007354
Energy: 1.280437534507493
Energy: 1.275709864589632
Energy: 1.2935302184743154
Energy: 1.2818710812161158
Energy: 1.2260530996007666
Energy: 1.3564804612159076
Energy: 1.290159937612275
Energy: 1.308816626576737
Energy: 1.2781961059122886
Energy: 1.3510940226575388
Energy: 1.2933119818048457
Energy: 1.225466997438971
Energy: 1.3522769195192683
Energy: 1.2907862770244614
Energy: 1.3083715023471931
Energy: 1.4237224619973918
Energy: 1.3506700079177596
Energy: 1.2937884300412985
Energy: 1.4238054081021196
Energy: 1.3776522286466975
Energy: 1.2946613854056048
Energy: 1.2800321766895695
Energy: 1.2788668555266636
Energy: 1.3739986490448295
Energy: 1.2795301360183342
Energy: 1.2817739763434717
Energy: 1.3734159245750213
Energy: 1.3700619630335924
Energy: 1.2734613008726314
Energy: 1.2919698453836836
Energy: 1.3702647169565905
Energy: 1.2809184398604154
Energy: 1.279484130537063
Energy: 1.3654364815221087
Energy: 1.3870144322872384
Energy: 1.2993812168416357
Energy: 1.4748300789391897
Energy: 1.4773493105161548
Energy: 1.3418636645567223
Energy: 1.198042427466639
Energy: 1.4773289019687272
Energy: 1.3710806651961647
Energy: 1.283466143406247
Energy: 1.2917394784384548
Energy: 1.3696377647297169
Energy: 1.281326893950581
Energy: 1.2788307007594417
Energy: 1.3729018529411379
Energy: 1.364674466311826
Energy: 1.2917583789827207
Energy: 1.4232965986372221
Energy: 1.3702614679225724
Energy: 1.2915300650774049
Energy: 1.4235096008270471
Energy: 1.3711617264355505

minimum gb energy = 1.1980181659165616 eV
minimum distance =  2.2870690931502 Angstroms
sigma value = 21


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

Energy: 1.7673109473887205
Energy: 1.2318491232090134
Energy: 1.193338386045832
Energy: 1.3224169113734887
Energy: 1.413491201904799
Energy: 1.222157703304173
Energy: 1.2317546994261415
Energy: 1.287074128506305
Energy: 1.280381712194148
Energy: 1.2247618932723503
Energy: 1.304260788905109
Energy: 1.232116249331906
Energy: 1.223998449315289
Energy: 1.305116957233107
Energy: 1.2496739807634134
Energy: 1.2012511848297858
Energy: 1.2317566873551
Energy: 1.2345851436163813
Energy: 1.2317692000654858
Energy: 1.2316027812531825
Energy: 1.239516651518314
Energy: 1.2858051075570662
Energy: 1.1880245210683955
Energy: 1.1645869937740794
Energy: 1.2917724941327489
Energy: 1.2224026108105208
Energy: 1.164738266504812
Energy: 1.218043399485077
Energy: 1.1904010776433651
Energy: 1.19238297973222
Energy: 1.2321807370716171
Energy: 1.2395553630200289
Energy: 1.1943377353263485
Energy: 1.1643733154629226
Energy: 1.239204395032298
Energy: 1.1558235262550793
Energy: 1.195566837474446
Energy: 1.2270054117580464
Energy: 1.184249218543655
Energy: 1.1943199209318451
Energy: 1.2026099016648495
Energy: 1.2211524398112488
Energy: 1.1560651669886723
Energy: 1.1742734475505983
Energy: 1.1381416654652503
Energy: 1.1970211520603593
Energy: 1.1737832364969187
Energy: 1.182290356019122
Energy: 1.1686676755816479
Energy: 1.1553967677930046
Energy: 1.155691613381195
Energy: 1.225398045066828
Energy: 1.1723115349504742
Energy: 1.1550316379535395
Energy: 1.2386549212533058
Energy: 1.153788455473078
Energy: 1.1665801457315932
Energy: 1.1551436761382525
Energy: 1.2516817453849944
Energy: 1.1779629074618962
Energy: 1.155100947206423
Energy: 1.2519201740101962
Energy: 1.178620990487577
Energy: 1.113642342505404
Energy: 1.1097931650537636
Energy: 1.2406648493442687
Energy: 1.1517529690944457
Energy: 1.110650395977581
Energy: 1.2412135177997097
Energy: 1.1514596490569597
Energy: 1.189500735094243
Energy: 1.194417893848011
Energy: 1.2179943386418741
Energy: 1.1714414661353345
Energy: 1.1947067316187796
Energy: 1.2179382253970756
Energy: 1.1714024083599304
Energy: 1.1777224366614885
Energy: 1.1881661662622551
Energy: 1.187083980034065
Energy: 1.171786327967683
Energy: 1.1864964511130336
Energy: 1.1884456954802263
Energy: 1.1716769915103893
Energy: 1.1555157414067403
Energy: 1.1123520749225149
Energy: 1.1098531745532627
Energy: 1.1516170904860659
Energy: 1.240677337570202
Energy: 1.1098366514820555
Energy: 1.1623085789284833
Energy: 1.1788182159928953
Energy: 1.1103919648167815
Energy: 1.1523517185475802
Energy: 1.1518135717766946
Energy: 1.2314662841326667
Energy: 1.1510352523533118
Energy: 1.1518060588792267
Energy: 1.181256879521801
Energy: 1.2371823722370574
Energy: 1.155081031996045
Energy: 1.1770390040663146
Energy: 1.2421714773564176
Energy: 1.1549440412172949
Energy: 1.1729080796054925
Energy: 1.2137818885606992
Energy: 1.1752963680664958
Energy: 1.173576380003752
Energy: 1.2216129080356428
Energy: 1.1820856410749714
Energy: 1.1812736214642243
Energy: 1.1652744064249017
Energy: 1.2368419762537968
Energy: 1.1955905304505727
Energy: 1.1737430466604806
Energy: 1.2205103703655378
Energy: 1.2159721568812545
Energy: 1.173945592434308
Energy: 1.1655155282448761
Energy: 1.2388249837669685
Energy: 1.2237579604794957
Energy: 1.1949359692401798
Energy: 1.2342705894431263
Energy: 1.2316049359250205
Energy: 1.194908093096127
Energy: 1.2355042781644816
Energy: 1.2609597134231767
Energy: 1.1646860549680593
Energy: 1.2399747633655764
Energy: 1.2390857843857876
Energy: 1.16456648176091
Energy: 1.1926263245683872
Energy: 1.222685421508011
Energy: 1.232327343601637
Energy: 1.2314843013561279
Energy: 1.2241700842174816
Energy: 1.2304802489690385
Energy: 1.2324960700661283
Energy: 1.2016465035516484
Energy: 1.2842544985742024
Energy: 1.2392117628736543
Energy: 1.2248399204474887
Energy: 1.2321982017824546
Energy: 1.3032259783234965
Energy: 1.2318473235269078
Energy: 1.2249144091631323
Energy: 1.3038803352031967
Energy: 1.3284152376221874
Energy: 1.1878296482992314
Energy: 1.277407832009542
Energy: 1.2784756756564615
Energy: 1.2224910381841885
Energy: 1.2318647394353304
Energy: 1.277586067055092
Energy: 1.3341663812445175
Energy: 1.1880216006533646
Energy: 1.2774349742555478
Energy: 1.278438224464123
Energy: 1.2223713871262283
Energy: 1.1646292386627983
Energy: 1.2777450245997695
Energy: 1.2595540342889902
Energy: 1.2242792031436234
Energy: 1.2327494200244493
Energy: 1.3029115165944967
Energy: 1.2325372779679746
Energy: 1.2311651880883991
Energy: 1.3037482481538767
Energy: 1.3532189496181768
Energy: 1.2583711260724204
Energy: 1.2244254774690864
Energy: 1.2782550444700724
Energy: 1.2782909887983895
Energy: 1.2030705507804718
Energy: 1.3044059913110486

minimum gb energy = 1.1097931650537636 eV
minimum distance =  2.29422670914357 Angstroms
sigma value = 113


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

Energy: 1.7577182968041445
Energy: 1.088812600842226
Energy: 1.1101210301335536
Energy: 1.2206609862190088
Energy: 1.220396275766277
Energy: 1.1216393991378366
Energy: 1.0229438051310833
Energy: 1.2068645167235317
Energy: 1.0539068398896745
Energy: 1.0912432679506547
Energy: 1.065590725895873
Energy: 1.085165979135408
Energy: 1.056329050641341
Energy: 1.0841759859585385
Energy: 1.092166573717306
Energy: 1.0585601851859086
Energy: 1.118872833266952
Energy: 1.0839255034650532
Energy: 1.0850874217892423
Energy: 1.088354566467724
Energy: 1.0883958155410465
Energy: 1.0350345197886492
Energy: 1.0693148911758743
Energy: 1.0586542617446113
Energy: 1.0430401163777174
Energy: 1.0386691072420131
Energy: 1.0585233889419565
Energy: 1.0863473016123242
Energy: 0.9952146351610437
Energy: 1.069990481269918
Energy: 1.1165636879432246
Energy: 1.0670523172433641
Energy: 1.0436551634855777
Energy: 1.058386731028349
Energy: 1.0904368762653571
Energy: 1.05356585850499
Energy: 1.0519081918213262
Energy: 1.0790840677360416
Energy: 1.0587683821944367
Energy: 1.0469655897917014
Energy: 1.0516519424993758
Energy: 1.0793917671102762
Energy: 1.0487031206900836
Energy: 1.1658310838245192
Energy: 1.041416468036079
Energy: 1.049195818695941
Energy: 1.0463941528350778
Energy: 1.0524287220559294
Energy: 1.046710983216344
Energy: 1.0487052174670493
Energy: 1.1513373614265308
Energy: 1.0900977140279389
Energy: 1.0068508104695122
Energy: 1.031625002248619
Energy: 1.073307250087871
Energy: 1.0144628099748336
Energy: 1.0422266458101133
Energy: 1.0446043656791038
Energy: 1.0520527370028332
Energy: 1.0382252367250353
Energy: 1.039486875617472
Energy: 1.0495245671950348
Energy: 1.0114584369233375
Energy: 0.9919763461673478
Energy: 1.0138586381669115
Energy: 1.0059939031899707
Energy: 1.0270666753434183
Energy: 1.017264970204662
Energy: 1.0589146652961183
Energy: 1.0027971368842485
Energy: 1.0245999155859244
Energy: 1.0560528837038459
Energy: 0.9907108602333301
Energy: 1.0198095437351091
Energy: 1.0188646343378365
Energy: 0.9914932267835991
Energy: 1.0158582409611014
Energy: 1.0271311942452246
Energy: 1.0214897584062343
Energy: 0.9931292512664619
Energy: 1.018276365788601
Energy: 1.039819783268514
Energy: 0.994389343408426
Energy: 1.0172968772745778
Energy: 1.0124262992042918
Energy: 1.0284510591382046
Energy: 0.971892883341275
Energy: 0.9942365677852786
Energy: 1.0506957067155926
Energy: 0.9736084820310074
Energy: 0.9842615741607373
Energy: 1.0133029462921357
Energy: 0.9853990567150058
Energy: 0.970348611533273
Energy: 0.9924272297500503
Energy: 1.0197677401591319
Energy: 0.9588625605378684
Energy: 0.9855729163845777
Energy: 1.0039748423899655
Energy: 0.9991760835062612
Energy: 0.9963066385818307
Energy: 1.0151201505103011
Energy: 0.9970627210189446
Energy: 0.9996382983809421
Energy: 1.012543367505858
Energy: 0.9770012548468652
Energy: 0.9778230748099305
Energy: 0.9899677073144596
Energy: 0.9968196174294963
Energy: 0.9702038213926834
Energy: 0.9923613676760846
Energy: 0.9969589882701366
Energy: 0.9742961313979314
Energy: 0.9696532989137554
Energy: 0.9904485565318797
Energy: 0.9940138461271967
Energy: 0.9700395817273805
Energy: 0.9726046199062213
Energy: 0.9858795858369372
Energy: 0.9788995817816978
Energy: 0.971642393689612
Energy: 1.0097294077299632
Energy: 0.9951477390075782
Energy: 0.9755165935780544
Energy: 1.0095886550322732
Energy: 0.9950029947054662
Energy: 0.9755641578438228
Energy: 0.9713655936984983
Energy: 1.0143005748618619
Energy: 0.9926626309920896
Energy: 0.9735868474558494
Energy: 1.0242466421794865
Energy: 0.9950098351290679
Energy: 0.9584895455769709
Energy: 0.952219989508866
Energy: 1.0106558102985665
Energy: 0.9718717772131505
Energy: 0.9458348622786841
Energy: 1.0109130845983014
Energy: 0.9672625358434431
Energy: 0.9939731701398414
Energy: 0.9888255413142443
Energy: 1.007139645226707
Energy: 0.9859634701240015
Energy: 0.9833254966753517
Energy: 1.02140745399006
Energy: 0.9832757591799635
Energy: 0.9874362226067245
Energy: 0.9860449659999515
Energy: 0.9850266477259251
Energy: 0.9848378559921904
Energy: 1.017034549045463
Energy: 0.9868831871696878
Energy: 0.9845170020607762
Energy: 0.9745015096779337
Energy: 0.9698623491064956
Energy: 0.9445000629178627
Energy: 0.9732143123710455
Energy: 1.0085668718012408
Energy: 0.9465297758974174
Energy: 0.9713925680763508
Energy: 1.0021641568558546
Energy: 1.0182847032899782
Energy: 0.9719227643103262
Energy: 0.9913613373455809
Energy: 1.0224791026781719
Energy: 0.9743883984660898
Energy: 0.9963112470953835
Energy: 1.0142832878828008
Energy: 1.0141734276639565
Energy: 0.9732370582785945
Energy: 0.9912782997091059
Energy: 1.012518972651606
Energy: 0.9920429487119677
Energy: 0.9929668892564173
Energy: 0.9934752993143977
Energy: 0.9745746267273763
Energy: 0.9699697291843198
Energy: 0.9935121637594617
Energy: 0.9915764409813594
Energy: 0.9704752132306913
Energy: 0.9754906667281252
Energy: 0.9953967714180499
Energy: 0.977043841633357
Energy: 0.9724720434259213
Energy: 0.9969146377898485
Energy: 0.9902310822420501
Energy: 0.9783546534209079
Energy: 0.9891294829161409
Energy: 1.0053626250345506
Energy: 0.9941096405110331
Energy: 0.9946130986523453
Energy: 1.0132062230203425
Energy: 0.9994360266288383
Energy: 0.9989336924497889
Energy: 1.0081121011461909
Energy: 0.9809945708676101
Energy: 0.9715400658297861
Energy: 1.0304601060551093
Energy: 0.9923382581032287
Energy: 0.9701479072185029
Energy: 1.035123261540447
Energy: 0.992517726347088
Energy: 0.9846070547132837
Energy: 0.9760324655519431
Energy: 1.020610773089354
Energy: 0.9925277473287393
Energy: 0.9713464110737539
Energy: 1.0517925889494357
Energy: 0.9963417077278408
Energy: 1.0207007623763442
Energy: 0.9938269389952813
Energy: 1.0416205137451724
Energy: 1.0170016607266643
Energy: 0.9939585264786945
Energy: 1.0302480657704585
Energy: 1.0174089035776621
Energy: 1.02351597733431
Energy: 1.0038815214637167
Energy: 1.020568371208145
Energy: 1.0158828018308421
Energy: 0.992618201062026
Energy: 1.0277571219482464
Energy: 1.0206746268455302
Energy: 1.0163314698550097
Energy: 1.0280970584054183
Energy: 1.014542061234776
Energy: 1.0319685776751382
Energy: 1.0599538700132562
Energy: 1.0151763771843725
Energy: 1.0464007737214827
Energy: 1.0185350013952121
Energy: 1.041344188573808
Energy: 1.032345334039519
Energy: 1.0405935596883071
Energy: 1.0600125377998366
Energy: 1.0325192946212043
Energy: 1.0403021827352126
Energy: 1.060380035172265
Energy: 1.0732852342704298
Energy: 1.0309013390371706
Energy: 1.0139146318308352
Energy: 1.0535918439799405
Energy: 1.0320011544841066
Energy: 1.0466065370764581
Energy: 1.0270639794516174
Energy: 1.0524868002170136
Energy: 1.0460536917400078
Energy: 1.0097229272573522
Energy: 1.0777344807639635
Energy: 1.0464851535146011
Energy: 1.0463909027918465
Energy: 1.1034928481926898
Energy: 1.0539998602857854
Energy: 1.0313553508461146
Energy: 1.077215274455447
Energy: 1.0763254021776285
Energy: 1.047837728925258
Energy: 1.054517445045017
Energy: 1.1455141339885089
Energy: 1.0578074342194654
Energy: 1.070385965945604
Energy: 1.0784737856860136
Energy: 1.0581766423311818
Energy: 1.0618596391040924
Energy: 1.0508671555938895
Energy: 1.1456582523859993
Energy: 1.1784152888250725
Energy: 1.0246191936795577
Energy: 1.0679491119339988
Energy: 1.0591347327255862
Energy: 1.0391998383883008
Energy: 1.042687076163137
Energy: 1.1482588946716152
Energy: 1.0882796765974991
Energy: 1.085492438400704
Energy: 1.0654982582745742
Energy: 1.1221705978135057
Energy: 1.058713624465677
Energy: 1.0844334775054352
Energy: 1.0880969498482242
Energy: 1.0725176802966416
Energy: 1.0773260487357705
Energy: 1.0670296108603536
Energy: 1.0854395219725925
Energy: 1.090945062167356
Energy: 1.148878553117018
Energy: 1.0192018527823274
Energy: 1.0974569915707113
Energy: 1.0756345984388445
Energy: 1.0335598116099665
Energy: 1.0391899222202143
Energy: 1.0750226343768257
Energy: 1.0971174842053948
Energy: 1.0933429181531709
Energy: 1.0568527548789035
Energy: 1.0805814267205134
Energy: 1.0671756816436633
Energy: 1.080803775923247
Energy: 1.0845562916783824
Energy: 1.0871830283496766
Energy: 1.1504777789194225
Energy: 1.0872524943143818
Energy: 1.082185371204562
Energy: 1.0654918678050465
Energy: 1.084197217618664
Energy: 1.0827433955705374
Energy: 1.0840549022105979
Energy: 1.2045113824252638
Energy: 1.0231693444118997
Energy: 1.0387051277180395
Energy: 1.0762221190593502
Energy: 1.0761680101498377
Energy: 1.038894301500601
Energy: 1.0240848512270195

minimum gb energy = 0.9445000629178627 eV
minimum distance =  2.29617263611675 Angstroms
sigma value = 365


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

Energy: 1.2809064819735818
Energy: 1.2417962722584637
Energy: 1.291196855263156
Energy: 1.2884352644724915
Energy: 1.2881595843577986
Energy: 1.2899072139706635
Energy: 1.2420737296065505
Energy: 1.2082375586755196
Energy: 0.38056856181172555
Energy: 0.3799316602825263
Energy: 0.3792911370732743
Energy: 0.3789526577706305
Energy: 0.37938373526920977
Energy: 0.3802120808598129
Energy: 0.396206714325744
Energy: 0.3807577878445618
Energy: 0.38005857469685284
Energy: 0.37961942728307985
Energy: 0.37948235251933965
Energy: 0.37984376858857083
Energy: 0.3801433460433761
Energy: 1.2089255736330895
Energy: 1.2326683510504979
Energy: 1.240097946932763
Energy: 1.2426556077596966
Energy: 1.2416812095885599
Energy: 1.2424917207687318
Energy: 1.23933322094394
Energy: 1.2075853606387486
Energy: 1.2071689019637193
Energy: 1.2318202619137064
Energy: 1.2323435808054601
Energy: 1.2395103413723974
Energy: 1.2318473851348917
Energy: 1.232045167432866
Energy: 0.3962345561604316
Energy: 0.38060032018949697
Energy: 0.38026715271706807
Energy: 0.3799405027027226
Energy: 0.3798714817346774
Energy: 0.37980096393432705
Energy: 0.3798735532552508
Energy: 1.208266224776864
Energy: 1.2327277292774657
Energy: 1.239862774242109
Energy: 1.239565200662475
Energy: 1.2392127875178658
Energy: 1.2397261140277838
Energy: 1.231497713579962
Energy: 1.2083946886069812
Energy: 1.231481099886888
Energy: 1.2398932229894712
Energy: 1.2393651643144163
Energy: 1.2394292617995477
Energy: 1.239624565188386
Energy: 1.2319292408713387
Energy: 0.39579848199677253
Energy: 0.38021944244414463
Energy: 0.37992953681178915
Energy: 0.3797980978537153
Energy: 0.3797749078363979
Energy: 0.37996667360199216
Energy: 0.3804698661484677
Energy: 1.2079422770686283
Energy: 1.2321391674940592
Energy: 1.2319083640507424
Energy: 1.2320626708874542
Energy: 1.2325195233518342
Energy: 1.2313753854754994
Energy: 1.231539830259494
Energy: 1.2088473915509295
Energy: 1.232306824486792
Energy: 1.244231285969819
Energy: 1.2418956739434008
Energy: 1.2411737031919974
Energy: 1.2431197845926414
Energy: 1.2397879330722164
Energy: 0.3958258616089013
Energy: 0.3804578235826511
Energy: 0.38005703249828654
Energy: 0.3796424541833917
Energy: 0.37952883107154967
Energy: 0.3797835270251581
Energy: 0.3802665164430908
Energy: 0.3965446539892429
Energy: 0.380739923198755
Energy: 0.3801157623375624
Energy: 0.379466667077116
Energy: 0.3794494719348869
Energy: 0.379689726511704
Energy: 0.3801906045844652
Energy: 1.2084952820589427
Energy: 1.231490381986176
Energy: 1.2433250882448836
Energy: 1.2403486515853046
Energy: 1.2396858011469267
Energy: 1.241739052567455
Energy: 1.2448010268326575
Energy: 1.2085592842023598
Energy: 1.2088631666199954
Energy: 1.2324965848415927
Energy: 0.379233995809193
Energy: 0.3789060413195579
Energy: 0.3795029733478339
Energy: 1.2319465517677788
Energy: 0.3957329356329574
Energy: 0.38062735558611416
Energy: 0.3802289208417942
Energy: 0.3796242581173544
Energy: 0.37960924860624706
Energy: 0.3798029920035538
Energy: 0.38026764968992616
Energy: 1.208824303990207
Energy: 1.2319867381898921
Energy: 1.2397708961769507
Energy: 1.2393322884402704
Energy: 1.2417017497338152
Energy: 1.2400611820187624
Energy: 1.2396063615891035
Energy: 1.2078987527951415
Energy: 1.2313998409960099
Energy: 1.2327570321803683
Energy: 1.239643622681703
Energy: 1.2393570656523483
Energy: 1.2318990609389835
Energy: 1.23262720479502
Energy: 0.3961357488969404
Energy: 0.38067704771832317
Energy: 0.38019786935810423
Energy: 0.3797709310846417
Energy: 0.3797271239606447
Energy: 0.3796496889032653
Energy: 0.380068394859469
Energy: 1.208151861526391
Energy: 1.231911657132353
Energy: 1.2320782600776141
Energy: 1.2392658883169354
Energy: 1.2391552183401364
Energy: 1.2395978963841123
Energy: 1.2325043946003318

minimum gb energy = 0.3789060413195579 eV
minimum distance =  2.36927866949721 Angstroms
sigma value = 23