Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003_Fe__MO_807997826449_000
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=2.855324894189835
cohesive_energy=4.1227593179916635
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=[1.3390607784579838e-19, 2.2042425695245197e-19, 2.91573716915124e-19, 3.54379040967924e-19, 4.05180857678796e-19, 4.455653219154e-19, 4.77759459198996e-19, 5.04128082241368e-19, 5.267876663760299e-19, 5.469991246139399e-19, 5.6516620546686595e-19, 5.81332167703926e-19, 5.955242483278979e-19, 6.0783377140692e-19, 6.184209546043919e-19, 6.275293287686819e-19, 6.35365574685576e-19, 6.420979209016439e-19, 6.478000675420499e-19, 6.524607993703559e-19, 6.560544815604179e-19, 6.585731032290661e-19, 6.600262774361039e-19, 6.604877043066959e-19, 6.60013460023032e-19, 6.585314466365819e-19, 6.5595514660911e-19, 6.52183622812674e-19, 6.47067872820312e-19, 6.403851940798979e-19, 6.31856807857116e-19, 6.211783005915059e-19, 6.080580761356799e-19, 5.919481900808099e-19, 5.71885734269862e-19, 5.4678283076835e-19, 5.15146250953386e-19, 4.758624820643399e-19, 4.2867838019304e-19, 3.7387913278033796e-19, 3.1210881483310196e-19, 2.4415409507862597e-19, 1.7058855275188197e-19, 7.56140853709764e-20, -6.34449129650928e-20, -2.67952826800062e-19, -5.565961626516e-19, -9.45904256417358e-19, -1.4631445522313819e-18, -2.2322165735541596e-18, -3.51796332233916e-18, -5.870647557003779e-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: 0.014416823225755793
Energy: 0.018393941007351575
Energy: 0.09145301044527611
Energy: 0.09258120075353354
Energy: 0.10751861019738375
Energy: 0.09034385717481129
Energy: 0.10582480409466574
Energy: 0.09161880467332381
Energy: 0.09341152210616287
Energy: 0.017189727503495376
Energy: 0.014790774799798316
Energy: 0.09052029125264766
Energy: 0.10441457904860237
Energy: 0.01532848066389998
Energy: 0.015652872941886265
Energy: 0.09454656807737859
Energy: 0.09066861109702722
Energy: 0.10420461681318004
Energy: 0.09044785099485642
Energy: 0.10594234407060123
Energy: 0.09124264500751779
Energy: 0.09049066428384603
Energy: 0.10441908612649942
Energy: 0.017960228800762448
Energy: 0.09267705101229805
Energy: 0.09169936411421847
Energy: 0.016836877222036938
Energy: 0.014948239489313328
Energy: 0.10413825778620278
Energy: 0.0920126112548686
Energy: 0.016085679422277864
Energy: 0.10560235081487919
Energy: 0.09051421223499413
Energy: 0.0909249856244861
Energy: 0.0904769525482146
Energy: 0.09047889467215223
Energy: 0.01532834924454425
Energy: 0.015241075727404477
Energy: 0.0908208079815027
Energy: 0.014656932537903435
Energy: 0.016560413285801486
Energy: 0.09371599435913454
Energy: 0.09126007325230927
Energy: 0.015721898285655685
Energy: 0.014652972707239238
Energy: 0.09056636389735684
Energy: 0.09234061019899888
Energy: 0.09169656692140811
Energy: 0.09046813720250663
Energy: 0.014482773635426218
Energy: 0.09078265661999864
Energy: 0.09319158949329846
Energy: 0.10636832632649265
Energy: 0.015248623521090071
Energy: 0.014705335922158889
Energy: 0.09113878461869908
Energy: 0.015096373598462465
Energy: 0.01616939460909173
Energy: 0.10481183939627751
Energy: 0.09055502108663586
Energy: 0.01464973958456414
Energy: 0.10453830889176156
Energy: 0.09040302276279986
Energy: 0.10435662555289853
Energy: 0.09123574155531748
Energy: 0.09052941547146788
Energy: 0.014987779533906209
Energy: 0.016554469800897365
Energy: 0.10421288034225924
Energy: 0.09172854641175612

minimum gb energy = 0.014416823225755793 eV
minimum distance =  2.47070386577477 Angstroms
sigma value = 3


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

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Energy: 1.3658194317352508
Energy: 1.3457176342497466
Energy: 1.363730670711587
Energy: 1.3386087700773854
Energy: 1.3219253270762723
Energy: 1.3319628810066146
Energy: 1.3921535536326552
Energy: 1.356803642177311
Energy: 1.4580527866482353
Energy: 1.4186625342060157
Energy: 1.3337744359961636
Energy: 1.3425888278027713
Energy: 1.3036299486009904
Energy: 1.3939987207448878
Energy: 1.30752384153739
Energy: 1.3511931375697037
Energy: 1.358620673126332
Energy: 1.3130193155200633
Energy: 1.3304719845554127
Energy: 1.2962244129500415
Energy: 1.2706883371414712
Energy: 1.3359116143606746
Energy: 1.3100380625638972
Energy: 1.364835705615743
Energy: 1.3330962811608005
Energy: 1.3045506990649733
Energy: 1.2555619928492434
Energy: 1.3320445239790422
Energy: 1.3268794311893497
Energy: 1.4776740988106367
Energy: 1.2630288986372669
Energy: 1.3353231356789437
Energy: 1.2867760787627869
Energy: 1.2822841625370043
Energy: 1.3458012827293573
Energy: 1.3579576407332408
Energy: 1.4404485914586198
Energy: 1.28756867687783
Energy: 1.2902685209568707
Energy: 1.4933740144947067
Energy: 1.2887459559956191
Energy: 1.5145465048369042
Energy: 1.4883460300535059
Energy: 1.2694707155576006
Energy: 1.3406013339841825
Energy: 1.358242891771717
Energy: 1.294264236296709
Energy: 1.2940845490017598
Energy: 1.267353726732747
Energy: 1.3352621108972602
Energy: 1.2835059644691267
Energy: 1.2693660681936938
Energy: 1.2689198401805806
Energy: 1.5076127856123538
Energy: 1.3637868279404435
Energy: 1.435344466513076
Energy: 1.2570048615850624
Energy: 1.2965695280323917
Energy: 1.281872310851656
Energy: 1.3369405714784455
Energy: 1.293044093219945
Energy: 1.2584596900332938
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Energy: 1.2597832940994
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Energy: 1.3192682041178807
Energy: 1.3344957988650925
Energy: 1.3428219237576366
Energy: 1.3754004902764663
Energy: 1.2715721770979858
Energy: 1.2709250219722807
Energy: 1.3148801347425148
Energy: 1.3031052700798116
Energy: 1.2689175916999733
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Energy: 1.4404542119460595
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Energy: 1.3587647964255103
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Energy: 1.3360040271858964
Energy: 1.327846081845865
Energy: 1.485148390107319
Energy: 1.2652821729204133
Energy: 1.3164779599056484
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Energy: 1.3659460557048821
Energy: 1.2805407300905762
Energy: 1.2926240942776166
Energy: 1.2874678400783381
Energy: 1.3183759120043728
Energy: 1.3045930705966855
Energy: 1.368887967129258
Energy: 1.356106989417852
Energy: 1.5138515925223979
Energy: 1.2560719696695803
Energy: 1.3557999666151854
Energy: 1.3781253036238323
Energy: 1.2967188892054955
Energy: 1.314048792820921
Energy: 1.312927231449613
Energy: 1.2997320732880686
Energy: 1.3196678814722385
Energy: 1.3416708087155698
Energy: 1.368415710384176
Energy: 1.439393669990631
Energy: 1.3004913018978441
Energy: 1.2592329951574044
Energy: 1.2975208346879277
Energy: 1.3189046483512656
Energy: 1.2802017326542652
Energy: 1.3024352807737862
Energy: 1.2575163086175027
Energy: 1.3502807622725275
Energy: 1.3713621800341822
Energy: 1.382040045028199
Energy: 1.3043529747559688
Energy: 1.3155424543266776
Energy: 1.3560245152381216
Energy: 1.3553141261169042
Energy: 1.3491871944459526
Energy: 1.26777176024941
Energy: 1.4070169598956943
Energy: 1.254652065016496
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Energy: 1.2997594952924136
Energy: 1.3181946388054784
Energy: 1.3066045116671758
Energy: 1.2705779673847428
Energy: 1.3382333959281414
Energy: 1.3539508633974708
Energy: 1.3084831703074633
Energy: 1.2944902141566001
Energy: 1.2630902555349466
Energy: 1.477373837754925
Energy: 1.3809490134390499
Energy: 1.491880921940495
Energy: 1.558522855645776
Energy: 1.2656870741937785
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Energy: 1.431052048816126
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Energy: 1.2662314633282836
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Energy: 1.2761960393766176
Energy: 1.2643769679185273
Energy: 1.2552966953264186
Energy: 1.5001842115598794
Energy: 1.4303380743915746
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Energy: 1.446601442440637
Energy: 1.3017936861882793
Energy: 1.313300047884183
Energy: 1.337886924759046
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Energy: 1.2612305306041245
Energy: 1.2874190931057545
Energy: 1.2741836337516526
Energy: 1.3031784519710718
Energy: 1.2608364500864042
Energy: 1.3589062009637738
Energy: 1.4352590262788332
Energy: 1.2571002615826845
Energy: 1.3505269902315469
Energy: 1.2657934332833236
Energy: 1.2715917897397584
Energy: 1.2708907139741288
Energy: 1.307189568795767
Energy: 1.2911542744573865
Energy: 1.2685939505696469
Energy: 1.365846755495413
Energy: 1.3321074094764447
Energy: 1.2562864271535754
Energy: 1.3645915523075904
Energy: 1.359963430388701
Energy: 1.266681749591688
Energy: 1.2909354828604347
Energy: 1.2483030441802005
Energy: 1.2920562802186477
Energy: 1.2681245582658793
Energy: 1.2591508005912642
Energy: 1.2573634859006
Energy: 1.329786332582366
Energy: 1.3363026803713942
Energy: 1.4309129014409199
Energy: 1.2561514071819397
Energy: 1.2568250449931693
Energy: 1.310670172193971
Energy: 1.332265083970563
Energy: 1.2632401374136424
Energy: 1.2917024401479624
Energy: 1.2901328868886135
Energy: 1.2824902999081393
Energy: 1.3035294598937086
Energy: 1.2541366642577614
Energy: 1.4423182279244111
Energy: 1.3425594688103648
Energy: 1.4967333886203218
Energy: 1.514028233689728
Energy: 1.3012382748462483
Energy: 1.2898200710886254
Energy: 1.3241823504788333
Energy: 1.2724378023539593
Energy: 1.2925817261357648
Energy: 1.2824071114470552
Energy: 1.3965758470844212
Energy: 1.3372291374808616
Energy: 1.2995494579017275
Energy: 1.386322944601601
Energy: 1.4695139212506565
Energy: 1.4643454513480585
Energy: 1.500837728737486
Energy: 1.2467479187829547
Energy: 1.2958923637999888
Energy: 1.3187751642118912
Energy: 1.3496433849154086
Energy: 1.3142559093572244
Energy: 1.2911658111614281
Energy: 1.4097072782690057
Energy: 1.335511172317582
Energy: 1.2551610689725812
Energy: 1.3209768459148024
Energy: 1.4268744873069392
Energy: 1.5341850428382267
Energy: 1.4644274055611957
Energy: 1.2593807110228261
Energy: 1.3429485943293957
Energy: 1.287029884931739
Energy: 1.4286220206537434
Energy: 1.3322658246808656
Energy: 1.3143234521579619
Energy: 1.3355357534364283
Energy: 1.3410289182379114
Energy: 1.330335818757359
Energy: 1.3326865676765602
Energy: 1.4485473749702702
Energy: 1.293917572164184
Energy: 1.2913815042015164

minimum gb energy = 1.2467479187829547 eV
minimum distance =  2.21743495559651 Angstroms
sigma value = 75


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

Energy: 1.6480804193122984
Energy: 1.400560877491363
Energy: 1.3922174945122652
Energy: 1.4269755634606045
Energy: 1.3881149150710392
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Energy: 1.4413293027529244
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Energy: 1.36859662422611
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Energy: 1.429459594179471
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Energy: 1.365915717387461
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Energy: 1.3584032048683914
Energy: 1.3801791706713897
Energy: 1.4811434587762713
Energy: 1.3976136192197794
Energy: 1.3726747832350594
Energy: 1.3832318247030562
Energy: 1.436335832857541
Energy: 1.3721223064631707
Energy: 1.4831268106731026
Energy: 1.3851394811470772
Energy: 1.4745632291731745
Energy: 1.4202957585043072
Energy: 1.417518701140657
Energy: 1.3994379601254758
Energy: 1.467960783884259
Energy: 1.4486290933070618
Energy: 1.3376933134766584
Energy: 1.3601049204438371
Energy: 1.3552852088100626
Energy: 1.4525276350388792
Energy: 1.4818982827404423
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Energy: 1.4178538715906437
Energy: 1.4554977339291923
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Energy: 1.4248995032503804
Energy: 1.3385932973150652
Energy: 1.3422288717536988
Energy: 1.3681765387644356
Energy: 1.3473793979569422
Energy: 1.4384103249690967
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Energy: 1.4210303485107507
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Energy: 1.4929128935897396
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Energy: 1.3819845936898387
Energy: 1.437600649180539
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Energy: 1.4132364400405022
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Energy: 1.3527175088449048
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Energy: 1.434603034707389
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Energy: 1.3677064976311901
Energy: 1.3767133485300964
Energy: 1.355508428592555
Energy: 1.3544489290205934
Energy: 1.350220627566627
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Energy: 1.4005277893846932
Energy: 1.3388680931742456
Energy: 1.4239074469154154
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Energy: 1.363993106782311
Energy: 1.3606332356517048
Energy: 1.3501315065906117
Energy: 1.3540827109074078
Energy: 1.3583813166492875
Energy: 1.4001990416619028
Energy: 1.424554413882352
Energy: 1.3544404595520982
Energy: 1.4205400724312962
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Energy: 1.343160724183467
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Energy: 1.3482685060571187
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Energy: 1.4509812097157933
Energy: 1.4819901296005917
Energy: 1.4524931768793707
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Energy: 1.5158505406256073
Energy: 1.4734951223364374
Energy: 1.3674267883197704
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minimum gb energy = 1.3227759108009962 eV
minimum distance =  2.2428112868903 Angstroms
sigma value = 105


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

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Energy: 1.3607551931596922
Energy: 1.3075088492388478
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Energy: 1.4091532166976473
Energy: 1.345177264374844
Energy: 1.3545521035910426
Energy: 1.3741432334032615
Energy: 1.3573456981494223
Energy: 1.4492934352062552
Energy: 1.4495409266732275
Energy: 1.3856466277234059
Energy: 1.3378037855295373
Energy: 1.3381003188798435
Energy: 1.480140342357821
Energy: 1.3620369748487
Energy: 1.3640890515038229
Energy: 1.4603837541572973
Energy: 1.4414742732489676
Energy: 1.4770479190808734
Energy: 1.3528106966955515
Energy: 1.3597023807882374
Energy: 1.3321323179625082
Energy: 1.3432291628454176
Energy: 1.3869401211371304
Energy: 1.4306459083411476
Energy: 1.375762302133155
Energy: 1.4351337542062141
Energy: 1.4454705560579306
Energy: 1.4521624988483237
Energy: 1.335536723122036
Energy: 1.3748988582981805
Energy: 1.3335570321276062
Energy: 1.334559170418195
Energy: 1.3637820951375539
Energy: 1.3711762307438342
Energy: 1.37451558907153
Energy: 1.336329473303943
Energy: 1.3324055069958411
Energy: 1.4390237751889066
Energy: 1.3448417692324004
Energy: 1.3595074921123897
Energy: 1.339733375300311
Energy: 1.3524669172247068
Energy: 1.328025322049971
Energy: 1.3568385449434823
Energy: 1.3739744831030782
Energy: 1.4316127950604298
Energy: 1.417712759245358
Energy: 1.3948482983378458
Energy: 1.3996596540077706
Energy: 1.459174556318328
Energy: 1.492328193064928
Energy: 1.3418214856825532
Energy: 1.341430188881644
Energy: 1.3280444166090943
Energy: 1.4173026129330801
Energy: 1.443778695567698
Energy: 1.3976515878625861
Energy: 1.3523992591014742
Energy: 1.358242425075926
Energy: 1.52154545293756
Energy: 1.4383691310121394
Energy: 1.432079005431655
Energy: 1.4521908725403672
Energy: 1.329185671786609
Energy: 1.5479545422350525
Energy: 1.3791149696886376
Energy: 1.3500962029401304
Energy: 1.3679354004450575
Energy: 1.3412626920638064
Energy: 1.4121734893121716
Energy: 1.4352520723596036
Energy: 1.4450660547142666
Energy: 1.498896803457311
Energy: 1.3519183724667079

minimum gb energy = 1.2851621187213322 eV
minimum distance =  2.23345086541855 Angstroms
sigma value = 165


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

Energy: 1.5205120824886977
Energy: 1.2406517196870048
Energy: 1.321470875999711
Energy: 1.294467561412181
Energy: 1.3119782025673585
Energy: 1.280027018714966
Energy: 1.3149419721236757
Energy: 1.2940211253338858
Energy: 1.2929087896046842
Energy: 1.2434655016026386
Energy: 1.3226051884229564
Energy: 1.5172837612157788
Energy: 1.5137757645236773
Energy: 1.5956827380921834
Energy: 1.3154829441055833
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Energy: 1.27817828340083
Energy: 1.2858512294528472
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Energy: 1.3131774869443358
Energy: 1.3143520083903029
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Energy: 1.3101690414898906
Energy: 1.3597977137641664
Energy: 1.554929807330735
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Energy: 1.346335410134548
Energy: 1.3480484231739822
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Energy: 1.3335914297753135
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Energy: 1.276634241395635
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Energy: 1.587508425549557
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Energy: 1.5570531744090328
Energy: 1.5878991237917772
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Energy: 1.3274235081544634
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Energy: 1.3192378106968485
Energy: 1.294153208413007
Energy: 1.278980354005078
Energy: 1.2755630037248447
Energy: 1.557344480881132
Energy: 1.300314826761788
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Energy: 1.3285226354735031
Energy: 1.3152460257903327
Energy: 1.291514213591989
Energy: 1.3340662991136305
Energy: 1.3126052222296074
Energy: 1.2883916676520335
Energy: 1.302385235616233
Energy: 1.28537396866266
Energy: 1.3268757480232298
Energy: 1.3429292100849026
Energy: 1.2930993680362972
Energy: 1.3668712460393722
Energy: 1.3376849795346897
Energy: 1.3273509302215736
Energy: 1.2970067059608679
Energy: 1.2862623271254234
Energy: 1.2943659289740521
Energy: 1.282360287644084
Energy: 1.3501898128540626
Energy: 1.3127677033294094
Energy: 1.3018606660600358
Energy: 1.3194546162481826
Energy: 1.3215428350953395
Energy: 1.2740490344426492
Energy: 1.2769346786517868
Energy: 1.290545697541862
Energy: 1.3125365561640119
Energy: 1.3266451510053257
Energy: 1.3459028537632003
Energy: 1.2759894688975937
Energy: 1.3583468848155114
Energy: 1.3441725173433798
Energy: 1.5581932600941577
Energy: 1.2895807807156117
Energy: 1.2790508194102777
Energy: 1.2941668427360398
Energy: 1.3211020848579853
Energy: 1.310133555324697
Energy: 1.2911023626636258
Energy: 1.302896207795738
Energy: 1.2808309858221538
Energy: 1.3460840814128414
Energy: 1.2826341293173238
Energy: 1.325406526269512
Energy: 1.2917119240585928
Energy: 1.5159490791506705

minimum gb energy = 1.2406517196870048 eV
minimum distance =  2.22212787012626 Angstroms
sigma value = 41


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

Energy: 2.5631835488109362
Energy: 1.1223197432193461
Energy: 1.2051126457438468
Energy: 1.173076425715203
Energy: 1.1706084774777885
Energy: 1.2451630148409227
Energy: 1.243368275355258
Energy: 1.2932600191912333
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Energy: 1.16978078348292
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Energy: 1.171926192164534
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Energy: 1.2431599038041785
Energy: 1.2719936358211774
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Energy: 1.1697458501458537
Energy: 1.2561213372181457
Energy: 1.2562171869996133
Energy: 1.30664087053877
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Energy: 1.1732144718677613
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Energy: 1.2446420056957024
Energy: 1.1733883580931586
Energy: 1.2158699656301026
Energy: 1.1722152365568952
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Energy: 1.211430453291655
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Energy: 1.1756810266736668
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Energy: 1.2427978307384395
Energy: 1.2998667037119
Energy: 1.2443943045502912
Energy: 1.2713077982591328
Energy: 1.2116954348330622
Energy: 1.2693487520497513
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Energy: 1.2526020288361255
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Energy: 1.1720909222368017
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Energy: 1.2422042602917498
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Energy: 1.2546853564617846
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Energy: 1.168954974060344
Energy: 1.1718489909151206
Energy: 1.172535168383055
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Energy: 1.2183424736039106
Energy: 1.258001497010743
Energy: 1.2133737516861396
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Energy: 1.1127389422029474
Energy: 1.1736256627286077
Energy: 1.2426468925489218
Energy: 1.1711784277393205
Energy: 1.1702123097582435
Energy: 1.1738064096605403
Energy: 1.2119885192882294
Energy: 1.219321672265099
Energy: 1.2592845711041525
Energy: 1.212562435183293
Energy: 1.105992294936715
Energy: 1.2719328829889947
Energy: 1.2439159196391814
Energy: 1.2488455551998883
Energy: 1.2726757018893018
Energy: 1.2439563396304107
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Energy: 1.1708738103265477
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Energy: 1.1703524636164873
Energy: 1.1725726526631226
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Energy: 1.2436679355442313
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Energy: 1.2213151804306364
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Energy: 1.2293187950874631
Energy: 1.247263488362666
Energy: 1.204988791327009
Energy: 1.17235069422968
Energy: 1.170562565956826
Energy: 1.1730543370969957
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Energy: 1.1709637199700305
Energy: 1.1715383690659056
Energy: 1.2448729122341466
Energy: 1.2558091975744547
Energy: 1.256236103511933
Energy: 1.2559434490295336
Energy: 1.2103518053751932
Energy: 1.104141796271317
Energy: 1.2057872134863865
Energy: 1.2494612537050105
Energy: 1.1998708415985184
Energy: 1.2124477964952363
Energy: 1.205426094042372
Energy: 1.2560337893400293
Energy: 1.2436355686859668
Energy: 1.2714280022459614
Energy: 1.2130482878268816
Energy: 1.2046634952537274
Energy: 1.272192518049397
Energy: 1.1706852444304854
Energy: 1.1729631562476437
Energy: 1.2058175147305343
Energy: 1.25700542670733
Energy: 1.2436101573206295
Energy: 1.1740563001041873
Energy: 1.1691530873167268
Energy: 1.1778637753058725
Energy: 1.2434999622183804
Energy: 1.1741126008424894
Energy: 1.172391938398748
Energy: 1.1717810910830153
Energy: 1.172290800501925
Energy: 1.2454731817064497
Energy: 1.2564320970825738
Energy: 1.2575355550520804
Energy: 1.2157566949537897
Energy: 1.1725224622958355
Energy: 1.1705950809185974
Energy: 1.1752181426310744
Energy: 1.1702994952385968
Energy: 1.1684302854298199
Energy: 1.180155025408503
Energy: 1.241693108642355
Energy: 1.2534966775494851
Energy: 1.2570498927736953
Energy: 1.2441239611818047
Energy: 1.1767243047251594
Energy: 1.1731232775907692
Energy: 1.1766714661318654
Energy: 1.1702943218512492
Energy: 1.1708603421604247
Energy: 1.2450539395237075
Energy: 1.1729954887666532
Energy: 1.21370685441523
Energy: 1.2205537675099936
Energy: 1.3364900451401542
Energy: 1.1745138480148785
Energy: 1.1713332078633456
Energy: 1.2124698765421544
Energy: 1.27112747734166
Energy: 1.2438210570662258
Energy: 1.1732306603439915
Energy: 1.170545927519226
Energy: 1.173756480921424
Energy: 1.3357271575086591
Energy: 1.2186852602685174
Energy: 1.2143826343569726
Energy: 1.2114372602002004

minimum gb energy = 1.1039714575848982 eV
minimum distance =  2.25619204436634 Angstroms
sigma value = 185


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

Energy: 2.3677169182581914
Energy: 1.1192092754066807
Energy: 1.27666646075862
Energy: 1.2764973205915442
Energy: 1.2786906599299244
Energy: 1.3272712086564187
Energy: 1.4107061482712246
Energy: 1.3287833309972081
Energy: 1.2796195355639701
Energy: 1.1217773051592992
Energy: 1.391564174062045
Energy: 1.4156141970540124
Energy: 1.2761152295202174
Energy: 1.1132546816371776
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Energy: 1.2760206761757427
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Energy: 1.3286478811806788
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Energy: 1.391429558492229
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Energy: 1.2769671649821692
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Energy: 1.1339062972869798
Energy: 1.152761673263093
Energy: 1.1511179243814604
Energy: 1.2566016517920504
Energy: 1.1276670631398784
Energy: 1.2771303981467914
Energy: 1.3299768945390678
Energy: 1.4095627327613924
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Energy: 1.1340100929516244
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Energy: 1.1508802400278408
Energy: 1.2763831094918552
Energy: 1.2784111453906062
Energy: 1.2770964631348618
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Energy: 1.1175495205269503
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Energy: 1.3950379249582987
Energy: 1.4181449526034529
Energy: 1.279124702251553
Energy: 1.2796097558365196
Energy: 1.2759448447199084
Energy: 1.4100078656022148
Energy: 1.408916411539968
Energy: 1.3262097724237125
Energy: 1.2765823245788623
Energy: 1.3955021920440314
Energy: 1.6945865391688184
Energy: 1.123847181136377
Energy: 1.2862452719842927
Energy: 1.324083725632111
Energy: 1.1367405911056887
Energy: 1.123477074965386
Energy: 1.4088627637019417
Energy: 1.4095157636466686
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Energy: 1.2782658215572182
Energy: 1.3973256456989218
Energy: 1.4166050297417865
Energy: 1.2813596635908322
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Energy: 1.3233492296379887
Energy: 1.3336341061570727
Energy: 1.135389399186706
Energy: 1.1228589731293872
Energy: 1.1514809381165705
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Energy: 1.2750384231303826
Energy: 1.32577796506198
Energy: 1.4319218380512209
Energy: 1.4086352431080413
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Energy: 1.1515139781760846
Energy: 1.1531704677523567
Energy: 1.1522488920220824
Energy: 1.1209079348729072
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Energy: 1.1158938329187547
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Energy: 1.408968099117348
Energy: 1.2774349730161014
Energy: 1.2755808596840887
Energy: 1.3021175331794945
Energy: 1.2754956670819835
Energy: 1.1354644804998066
Energy: 1.2788260310132356
Energy: 1.3284579041150772
Energy: 1.3284545582870688
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Energy: 1.3938855285255096
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Energy: 1.277932285140019
Energy: 1.3973970142069607
Energy: 1.430900211749341
Energy: 1.429794564247397
Energy: 1.4111385176176172
Energy: 1.2754293126261567
Energy: 1.3924552239094632
Energy: 1.396752545852692
Energy: 1.1333868074418876
Energy: 1.3221824421814388
Energy: 1.2802073849231048
Energy: 1.1227855869083982
Energy: 1.1340383102676936
Energy: 1.3299265235946471
Energy: 1.2771944478881663
Energy: 1.133107041176813
Energy: 1.2754938289656388
Energy: 1.4179039659646675
Energy: 1.2763790551951133
Energy: 1.322159439365019
Energy: 1.286819213190379
Energy: 1.4083984976511565
Energy: 1.4096514798627036
Energy: 1.3279739637515766
Energy: 1.1227662691236089
Energy: 1.1350839782089772
Energy: 1.1521270989795334
Energy: 1.1514911813778372
Energy: 1.2760773150805733
Energy: 1.2789911514788708
Energy: 1.3266986315729108
Energy: 1.1174526879953401
Energy: 1.3296140214171304
Energy: 1.4089739315036056
Energy: 1.274632980680699
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Energy: 1.2765166522941924
Energy: 1.3127485373939478
Energy: 1.274838548075003
Energy: 1.2821438142926962
Energy: 1.4079155835788182
Energy: 1.3215157035827256
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Energy: 1.3941488267355118
Energy: 1.1200896977032857
Energy: 1.1242635431164174
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Energy: 1.4082671119015784
Energy: 1.4102836380615
Energy: 1.2751648302209733
Energy: 1.2786267909504705
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Energy: 1.3222133025711795
Energy: 1.1141233929649514
Energy: 1.126678283242307
Energy: 1.327159674578939
Energy: 1.3302870925393206
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Energy: 1.1516021843874618
Energy: 1.2759391919545064
Energy: 1.2828322382314548
Energy: 1.2748529254702914
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Energy: 1.3297516002650516
Energy: 1.4075026879322634
Energy: 1.2764823104290524
Energy: 1.1348466914138429
Energy: 1.152897080554348
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Energy: 1.1522015515822317
Energy: 1.134469404541016
Energy: 1.2786514960812714
Energy: 1.327998252899929
Energy: 1.4094060534896495
Energy: 1.2759642716525603
Energy: 1.4303059721748417
Energy: 1.2796555096043436
Energy: 1.27666373657471
Energy: 1.2809670938737958
Energy: 1.2766854948062178
Energy: 1.129335201505896
Energy: 1.1229749369725233
Energy: 1.3806118111228038
Energy: 1.281258159451636
Energy: 1.2769398649521166
Energy: 1.1198169146211447
Energy: 1.3951279208301182
Energy: 1.408424240843572
Energy: 1.4169734659766844
Energy: 1.2776831967558466
Energy: 1.2752463758051837
Energy: 1.3283074325996633
Energy: 1.4089602963541747
Energy: 1.2788621623397856
Energy: 1.411833012559277
Energy: 1.276978242168609
Energy: 1.3910700630364798
Energy: 1.276503752158919
Energy: 1.2802757038899315
Energy: 1.1131342864010578
Energy: 1.2850976366618532
Energy: 1.4157110616904207
Energy: 1.4077594633661652
Energy: 1.4098819974367918
Energy: 1.1228940434465162
Energy: 1.1357036241023613
Energy: 1.2750922302553676
Energy: 1.2804927767538945
Energy: 1.27601074582344
Energy: 1.2768720198102024
Energy: 1.2761462536359285
Energy: 1.1236218912722278
Energy: 1.1266290524321676
Energy: 1.1233539899604414
Energy: 1.1249527616295696
Energy: 1.1509719939866097
Energy: 1.1517471437748514
Energy: 1.1521442442413732
Energy: 1.2809136972879722
Energy: 1.2754440133548375
Energy: 1.3279374004187625
Energy: 1.4310148635766344
Energy: 1.4079548673266016
Energy: 1.2759680919843992
Energy: 1.2767944156770639
Energy: 1.2764859659965149
Energy: 1.15119088684716
Energy: 1.272535115387248
Energy: 1.1521518225352856
Energy: 1.120180919602228
Energy: 1.1191302978459103
Energy: 1.1179137998246684
Energy: 1.3220555907986336
Energy: 1.4305066129365092
Energy: 1.3916620957434942
Energy: 1.4161778349636045
Energy: 1.4185481471155281
Energy: 1.2757870045431234
Energy: 1.2789203158429074
Energy: 1.2790829755447677
Energy: 1.1172757747913866
Energy: 1.117358196135271
Energy: 1.1224723302351347
Energy: 1.1200099472055605

minimum gb energy = 1.1131342864010578 eV
minimum distance =  2.26704811152306 Angstroms
sigma value = 33


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

Energy: 1.576583427106275
Energy: 1.3678076986681644
Energy: 1.4885598281604184
Energy: 1.3091988584102785
Energy: 1.345058310529955
Energy: 1.5002997995189635
Energy: 1.4026310971048432
Energy: 1.438586996187652
Energy: 1.3510507617864234
Energy: 1.3680123042915084
Energy: 1.2254221638440772
Energy: 1.440518709937243
Energy: 1.4583852086436184
Energy: 1.4087230936504258
Energy: 1.4307138681951628
Energy: 1.4767761024979935
Energy: 1.4073558497482197
Energy: 1.3571885403476251
Energy: 1.3650929888907506
Energy: 1.2374796262834686
Energy: 1.2342582859056375
Energy: 1.3607482462098581
Energy: 1.4188806502092233
Energy: 1.310214317898493
Energy: 1.3503877346982904
Energy: 1.2381504015746225
Energy: 1.236870634733637
Energy: 1.2375131792320515
Energy: 1.2364049417058165
Energy: 1.2264821348365857
Energy: 1.2330742050254324
Energy: 1.2360800101663378
Energy: 1.4103179798783885
Energy: 1.2602664522136622
Energy: 1.2492036161358038
Energy: 1.3157032994024151
Energy: 1.3571545758798298
Energy: 1.3638633193720846
Energy: 1.2370411545032722
Energy: 1.2437559500924311
Energy: 1.234567937370181
Energy: 1.2360548775717044
Energy: 1.2917913125471703
Energy: 1.4603637247607095
Energy: 1.3723561266091597
Energy: 1.3094510772294012
Energy: 1.5309695912224965
Energy: 1.4513645989913275
Energy: 1.236059956252317
Energy: 1.2327777657881107
Energy: 1.4904572834072054
Energy: 1.43183998197034
Energy: 1.4208172157278465
Energy: 1.4234348487791908
Energy: 1.357229933218753
Energy: 1.3094787311750102
Energy: 1.3130464997024436
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Energy: 1.2942241748473948
Energy: 1.3842786261445674
Energy: 1.4618186312610202
Energy: 1.3699931185946599
Energy: 1.4296985680611316
Energy: 1.351465459892901
Energy: 1.361072009002074
Energy: 1.3150320072073478
Energy: 1.5097471728892264
Energy: 1.295272321411134
Energy: 1.1946701761195992
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Energy: 1.455132336552384
Energy: 1.455784594727798
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Energy: 1.3576206730408722
Energy: 1.2209532100374754
Energy: 1.2841310411652276
Energy: 1.232924720229578
Energy: 1.2336711099320454
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Energy: 1.4495531639847734
Energy: 1.4386813728648478
Energy: 1.4152839349466255
Energy: 1.4403236775035868
Energy: 1.2199940063824304
Energy: 1.2304514612758635
Energy: 1.2348866522403092
Energy: 1.2344078696435554
Energy: 1.2344262837442324
Energy: 1.2646321237401201
Energy: 1.2401350169370384
Energy: 1.4420761419775825
Energy: 1.339012631618396
Energy: 1.4850953036161092
Energy: 1.2203666762448426
Energy: 1.2260359073887834
Energy: 1.3639645261060453
Energy: 1.22501328388506
Energy: 1.2619817301987293
Energy: 1.3583371802069228
Energy: 1.327567314388928
Energy: 1.4388084661137028
Energy: 1.437982756227939
Energy: 1.3944122014265254
Energy: 1.3759368302090527
Energy: 1.4542555328213833
Energy: 1.3942595398230788
Energy: 1.4033488816062654
Energy: 1.3586422652205266
Energy: 1.5226787063726626
Energy: 1.415809054879476
Energy: 1.417246058137745
Energy: 1.3851487675589345
Energy: 1.238518194689142
Energy: 1.2212675869572154
Energy: 1.4395047866184065
Energy: 1.4671191489298627
Energy: 1.4089397674805357
Energy: 1.4306746059960336
Energy: 1.4676252500026135
Energy: 1.3699158454491895
Energy: 1.2401016684583313
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Energy: 1.2344885017091027
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Energy: 1.2379951794256565
Energy: 1.4396372671040671
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Energy: 1.4239800213404241
Energy: 1.2350045206424805
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Energy: 1.221017939181646
Energy: 1.2257284830220267
Energy: 1.2641695930461645
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Energy: 1.3276379598443224
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Energy: 1.344579374849279
Energy: 1.401917702387539
Energy: 1.4390399451322404
Energy: 1.3506513853578666
Energy: 1.3849542487403357

minimum gb energy = 1.1939145723257378 eV
minimum distance =  2.21028962783104 Angstroms
sigma value = 219


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

Energy: 2.104968032057694
Energy: 1.2044529028602562
Energy: 1.225889347026988
Energy: 1.2521569465953568
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Energy: 1.2257030551250956
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Energy: 1.2239402667659878
Energy: 1.2271914274298026
Energy: 1.2067860345570733
Energy: 1.1968918293706892
Energy: 1.2066457829936765
Energy: 1.2271252196758304
Energy: 1.2061453858257667
Energy: 1.2037540605369357
Energy: 1.2720588969459046
Energy: 1.1716494487308997
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Energy: 1.2023521453506008
Energy: 1.1894431616085133
Energy: 1.1885743347065156
Energy: 1.2323120619088281
Energy: 1.221813026296875

minimum gb energy = 1.1702388647109279 eV
minimum distance =  2.266689086751 Angstroms
sigma value = 15


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

Energy: 1.8722954652979868
Energy: 1.4976883955300107
Energy: 1.3804976499583734
Energy: 1.391079550447506
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Energy: 1.3722779996179686
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Energy: 1.3870188256991975
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Energy: 1.3828017605964529
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Energy: 1.4255019222904382
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Energy: 1.4216592765826455
Energy: 1.6097554516677406
Energy: 1.355734694021796
Energy: 1.3725403368584326
Energy: 1.3560322785719083
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minimum gb energy = 1.3258832547785844 eV
minimum distance =  2.23858497199175 Angstroms
sigma value = 293


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

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Energy: 1.4043309316778676
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Energy: 1.3187166542901252
Energy: 1.3489002594857484
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Energy: 1.3911516210343773
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Energy: 1.446446751652462
Energy: 1.396303688999918
Energy: 1.647855832504557
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Energy: 1.3907227321861262
Energy: 1.39329086060437
Energy: 1.3910023814160248
Energy: 1.3723252939559856
Energy: 1.4738163460094058
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Energy: 1.3805555049046405
Energy: 1.3765844379604903
Energy: 1.4640632899105925
Energy: 1.471167515054873
Energy: 1.4182862240696557
Energy: 1.3997344115623434
Energy: 1.3997907192746384
Energy: 1.3916758033770085
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Energy: 1.4426072098003184
Energy: 1.457511360030002
Energy: 1.3863146743974613
Energy: 1.4367626589612161
Energy: 1.5073687067206545
Energy: 1.4356867264682356
Energy: 1.3979701815344792
Energy: 1.389869990833162
Energy: 1.3943081297822244
Energy: 1.4252662052293739
Energy: 1.4485737179543718
Energy: 1.5919958906631695
Energy: 1.4456630116847136
Energy: 1.4597601573007621
Energy: 1.455408602993719
Energy: 1.3541844342071234
Energy: 1.4132582507949591
Energy: 1.400285560959651
Energy: 1.399645437094137
Energy: 1.4668891334749252
Energy: 1.3476658459898865
Energy: 1.4765481571780756
Energy: 1.4092718503954498
Energy: 1.4460359477658282
Energy: 1.4822197075021135
Energy: 1.4699728844047355
Energy: 1.4134415356555554
Energy: 1.5398759404883111
Energy: 1.38239943152562
Energy: 1.3348420056843624
Energy: 1.3764934776953734
Energy: 1.3645544899604873
Energy: 1.3916574762255522
Energy: 1.379575380390925
Energy: 1.469040211275122
Energy: 1.4583738950086107
Energy: 1.5642569673081965
Energy: 1.3995122561858284
Energy: 1.3992635711017718
Energy: 1.315552327397551
Energy: 1.328574197426918
Energy: 1.3536048170830892
Energy: 1.4110033458074391
Energy: 1.4398818197444219
Energy: 1.4734511943471877
Energy: 1.4188353768703548
Energy: 1.4120802121274998
Energy: 1.4048873881648698
Energy: 1.3793822987298803
Energy: 1.3181219619133808
Energy: 1.3542495303158202
Energy: 1.3641940490396463
Energy: 1.6703876826390225
Energy: 1.3461945973517435
Energy: 1.4248389910070656
Energy: 1.438307749273759

minimum gb energy = 1.3152014299496348 eV
minimum distance =  2.2405746421297 Angstroms
sigma value = 293


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

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Energy: 1.4138330290456198
Energy: 1.2837184142259235
Energy: 1.4733035278650228
Energy: 1.2394142626766267
Energy: 1.359654748080415
Energy: 1.227533866432082
Energy: 1.2283894190093545
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Energy: 1.412286509201518
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Energy: 1.3055505298228445
Energy: 1.27736741922652
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Energy: 1.224632765363088
Energy: 1.3965697448705845
Energy: 1.399984202913615
Energy: 1.2485550384494477
Energy: 1.2211824178752677
Energy: 1.3957719941295434
Energy: 1.2798421849050037
Energy: 1.2926185613867063
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Energy: 1.2265555144742584
Energy: 1.2607566006369482
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Energy: 1.230076819282689
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Energy: 1.2247642034950201
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Energy: 1.2765526529161733
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Energy: 1.3504560527243954
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Energy: 1.283112094436537
Energy: 1.2819351175758866
Energy: 1.2412067953942445
Energy: 1.228338725298617
Energy: 1.2267726546784674
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Energy: 1.3897546144453832
Energy: 1.280601341913106
Energy: 1.3590364099643766
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Energy: 1.226937078366001
Energy: 1.246889028854519
Energy: 1.4120380889677133
Energy: 1.4152525712831878
Energy: 1.2915033310189734
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Energy: 1.3560244049510533
Energy: 1.2779766967375779
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Energy: 1.2939529741556541
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Energy: 1.2910486760735964
Energy: 1.2195691871990701
Energy: 1.2312800754610747
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Energy: 1.2357803755843366
Energy: 1.2272802041092579
Energy: 1.2600011678411775
Energy: 1.412765428741951
Energy: 1.2817550946518526
Energy: 1.4140072081306265
Energy: 1.2132791744012927
Energy: 1.3446333182348529
Energy: 1.2209870100855615
Energy: 1.2346101781684184
Energy: 1.2276598506880037
Energy: 1.2476488652693563
Energy: 1.4121581577428908
Energy: 1.260881444502432
Energy: 1.2701445827760363
Energy: 1.244724068218207
Energy: 1.3082207176588372
Energy: 1.2214846226127265
Energy: 1.2781818554037916
Energy: 1.280427135022725
Energy: 1.2917300231966815
Energy: 1.2474355517207518
Energy: 1.2264565092698678
Energy: 1.3908338923737482
Energy: 1.4390973139393668
Energy: 1.277682749300871
Energy: 1.3994323516786435
Energy: 1.3997950360805131
Energy: 1.2788923763974227
Energy: 1.230234890951782
Energy: 1.2189602429519526
Energy: 1.2273132402273979
Energy: 1.2838425390785138
Energy: 1.3991821542697553
Energy: 1.3066674598268653
Energy: 1.282410617524044
Energy: 1.2806564521356523
Energy: 1.4730980965191598
Energy: 1.2370094193530823
Energy: 1.2716715575266204
Energy: 1.2771262953929545
Energy: 1.2204673696339103
Energy: 1.2232641399208668
Energy: 1.2361407310186756
Energy: 1.2597948903463878
Energy: 1.411443057946651
Energy: 1.220756937204688
Energy: 1.2808490555910022
Energy: 1.2626883918056695
Energy: 1.2203757996391529
Energy: 1.2292953899226398
Energy: 1.2252598993360804
Energy: 1.2465875294169528
Energy: 1.2766022072823033
Energy: 1.260654288866356
Energy: 1.3052418016506866
Energy: 1.4393874030950573
Energy: 1.2407868220352682
Energy: 1.472592618151968
Energy: 1.2826854929175244
Energy: 1.2953929238549051
Energy: 1.2376978120040076
Energy: 1.2315283239454085
Energy: 1.226883719596066
Energy: 1.2506977248845752
Energy: 1.3987782476417978
Energy: 1.2607275111522223
Energy: 1.2794111977233302
Energy: 1.4014606014653324
Energy: 1.391918227687439
Energy: 1.3287234341082979
Energy: 1.228199197979142
Energy: 1.2259942999389895
Energy: 1.2826197436802418
Energy: 1.2867328329463261
Energy: 1.2525068992547697

minimum gb energy = 1.1106835661616092 eV
minimum distance =  2.29201762765921 Angstroms
sigma value = 15


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

Energy: 1.5323344676174495
Energy: 1.3410145169842054
Energy: 1.3701694572985974
Energy: 1.3521281602096833
Energy: 1.3413739190428533
Energy: 1.3316889246407912
Energy: 1.4464185775240983
Energy: 1.3823839357443382
Energy: 1.3593178643326695
Energy: 1.367124917149603
Energy: 1.377369569468498
Energy: 1.5533546536146945
Energy: 1.5524610776736947
Energy: 1.5474366163412347
Energy: 1.3782128976629884
Energy: 1.3557704915786515
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Energy: 1.4402913998000155
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Energy: 1.3410162598062074
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Energy: 1.3616054097040091
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Energy: 1.3180040974670415
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Energy: 1.499739574128487
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Energy: 1.3534755761408792
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Energy: 1.3312806329492686
Energy: 1.3418306151579882
Energy: 1.3163713478474381
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Energy: 1.4258571277772798
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Energy: 1.416905848549575
Energy: 1.3727299234325812
Energy: 1.345198561963356
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Energy: 1.3421210942993265
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Energy: 1.44326180046557
Energy: 1.3572496934750402
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Energy: 1.368546215317512
Energy: 1.384375448817503
Energy: 1.3388238475572973
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Energy: 1.3730879459545202
Energy: 1.4975426681195858
Energy: 1.492122431105647
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Energy: 1.335985911043793
Energy: 1.3371762384898185
Energy: 1.3556297538323563
Energy: 1.4717737864281442
Energy: 1.430048641960416
Energy: 1.442400031810534
Energy: 1.417351835853742
Energy: 1.3401536660328695
Energy: 1.3422535243246365
Energy: 1.3352726368880918
Energy: 1.360931484381523
Energy: 1.3818901674029833
Energy: 1.5550051695981346
Energy: 1.5283338462408123
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Energy: 1.4827011427371075
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Energy: 1.3168212422823389
Energy: 1.3302238749544766
Energy: 1.3373037220173591
Energy: 1.545624577062032
Energy: 1.3814200990823715
Energy: 1.3571577452855814
Energy: 1.3563947324165702
Energy: 1.5066349499485268
Energy: 1.3531188474988012
Energy: 1.367709192588037
Energy: 1.3665714257921657
Energy: 1.336563552721327
Energy: 1.3558416650310878
Energy: 1.3239002553984216
Energy: 1.298204933094053
Energy: 1.304280310978534
Energy: 1.4327959528710874
Energy: 1.2838723569018655
Energy: 1.5410726299992767
Energy: 1.551594641461498
Energy: 1.5437964149254193
Energy: 1.373430979929985
Energy: 1.348125679503337
Energy: 1.3161400343660654
Energy: 1.3181348178895234
Energy: 1.3559610149676693
Energy: 1.460313124663788
Energy: 1.4414577860619553
Energy: 1.5689189452062366
Energy: 1.503066515460677
Energy: 1.3636498074365637
Energy: 1.3531688614925927
Energy: 1.3388350146905452
Energy: 1.361365206390902
Energy: 1.3551956836868104
Energy: 1.5257601726302534
Energy: 1.4987898360879306
Energy: 1.5059808002422739
Energy: 1.4314112030562283
Energy: 1.465513801503657
Energy: 1.3306329051325843
Energy: 1.3151073904646782
Energy: 1.382404751963864
Energy: 1.4741365636484844
Energy: 1.3869803265458198
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Energy: 1.3456339798041823
Energy: 1.3272143813841406
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Energy: 1.4152767774775357
Energy: 1.3574841155790396
Energy: 1.3948632188898626
Energy: 1.3787756487640952
Energy: 1.3802762694838622
Energy: 1.3549652004280082
Energy: 1.3860758328887641
Energy: 1.3920146697878484
Energy: 1.4085875746792007
Energy: 1.4545840934574206
Energy: 1.395794725702535
Energy: 1.4433259621916286
Energy: 1.4729680250730408
Energy: 1.3505491661713753
Energy: 1.3705093730036275
Energy: 1.371657795267822
Energy: 1.4177622450332823
Energy: 1.4089836325072407
Energy: 1.3848839456323414
Energy: 1.4256397174439894
Energy: 1.3860075362416624
Energy: 1.4090299503572827
Energy: 1.4552928105607397
Energy: 1.4022598387437177
Energy: 1.3744355422507102
Energy: 1.3812190412464451
Energy: 1.389650007675663
Energy: 1.4158549504599103
Energy: 1.382120651043345
Energy: 1.39094309232077
Energy: 1.3821653051786755
Energy: 1.3372874945304385
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Energy: 1.4344085620248819
Energy: 1.3720694193483474
Energy: 1.3720057960923697
Energy: 1.418646193497857
Energy: 1.5020117476636126
Energy: 1.409333912041905
Energy: 1.4084514814204316
Energy: 1.4048877256377315
Energy: 1.4341959660732497
Energy: 1.4090207830317374
Energy: 1.4082242854355986
Energy: 1.4190108099927914
Energy: 1.3833354735308925
Energy: 1.3819561850113387
Energy: 1.4846727918771743
Energy: 1.4440804091474377
Energy: 1.3975777383001484
Energy: 1.5007831511317453
Energy: 1.4060692236304058
Energy: 1.3922433169515855
Energy: 1.4313819219630837
Energy: 1.458658692632497
Energy: 1.5150794189274985
Energy: 1.475486261999382
Energy: 1.4517443940209682
Energy: 1.355674280671901
Energy: 1.3437214560471271
Energy: 1.5120281517058634
Energy: 1.3262460919276464
Energy: 1.345203381971244
Energy: 1.543499223133166
Energy: 1.5008709011513701
Energy: 1.351357632876783
Energy: 1.354902774380904
Energy: 1.3163582011648942
Energy: 1.3168929113803873
Energy: 1.4875429567635456
Energy: 1.4230245295470767
Energy: 1.3607825454222626
Energy: 1.4985612572987808
Energy: 1.3614907007170207
Energy: 1.3238116434051979
Energy: 1.3138778814165033
Energy: 1.3131110386802314
Energy: 1.3125385059044128
Energy: 1.368868159866562
Energy: 1.5036462457080475
Energy: 1.470776666982737
Energy: 1.4460548776627637
Energy: 1.4569800209348458
Energy: 1.3778522586785784
Energy: 1.300916193002604
Energy: 1.2965632671486458
Energy: 1.3562512841356003
Energy: 1.3561197526088655
Energy: 1.337687758594899
Energy: 1.5515225914062152
Energy: 1.5662724382348563
Energy: 1.4047106523613975
Energy: 1.434982685090542
Energy: 1.3597133414207307
Energy: 1.382994128979259
Energy: 1.5552178869415694
Energy: 1.3179915459356346
Energy: 1.5603785814494586
Energy: 1.3523158964087174
Energy: 1.3788750190114565
Energy: 1.3588517436485845
Energy: 1.42517331849135
Energy: 1.3380587692271855
Energy: 1.5562792369155294
Energy: 1.5473286527315109
Energy: 1.3820584579408808
Energy: 1.3589931477500996
Energy: 1.3243765420903664
Energy: 1.3154656197012635
Energy: 1.3414622973054915
Energy: 1.4278037366521068
Energy: 1.3781915167550431
Energy: 1.448274401223573
Energy: 1.3967640461218807
Energy: 1.3786417752263993
Energy: 1.3426334512133413
Energy: 1.370969226735365
Energy: 1.3373928743848982
Energy: 1.3416879010112523
Energy: 1.3176089900769323
Energy: 1.4440823020401072
Energy: 1.471268511456587
Energy: 1.4100809366629645
Energy: 1.3363953292910837
Energy: 1.4244566292876235
Energy: 1.3398812547028889
Energy: 1.3355117457768109
Energy: 1.3775245298578593
Energy: 1.3828638735483039
Energy: 1.5234146179640695
Energy: 1.5231846815400083
Energy: 1.462117834537034
Energy: 1.4440843082580834
Energy: 1.3119928520096324
Energy: 1.3766534516157947
Energy: 1.3698506863373034
Energy: 1.387843492787141
Energy: 1.4149842232087801
Energy: 1.4007761790700333
Energy: 1.4469990438308618
Energy: 1.3252005725925642
Energy: 1.3426105797383538
Energy: 1.4104640302345768
Energy: 1.400450598685929
Energy: 1.4651498285412026
Energy: 1.4504281542377973
Energy: 1.4166463526133288
Energy: 1.3868827131454093
Energy: 1.3763808897254022
Energy: 1.4420085762388908
Energy: 1.465161530592588
Energy: 1.4081280170529693
Energy: 1.4703276699439134
Energy: 1.3437502134783073
Energy: 1.3581139478469644
Energy: 1.4420785892198735
Energy: 1.3563061668009357
Energy: 1.4155929575488213
Energy: 1.4193395689882125
Energy: 1.458104564864643
Energy: 1.4816568845242863
Energy: 1.3838040012760942
Energy: 1.4653849184422685
Energy: 1.3618368470180549
Energy: 1.3675656992601808
Energy: 1.4737788921079682
Energy: 1.41749476740936
Energy: 1.411375249465904
Energy: 1.364839637738336
Energy: 1.3668733686104912
Energy: 1.3509420587611318
Energy: 1.4421240570767497
Energy: 1.3644042240037213
Energy: 1.4429623521949253
Energy: 1.4146467828245664
Energy: 1.3229322103883074
Energy: 1.352288170149089
Energy: 1.3358794157752432
Energy: 1.3363746896254853
Energy: 1.338751919285672
Energy: 1.3919041823825757
Energy: 1.469178990510017
Energy: 1.4275055343439689
Energy: 1.4033786700713664
Energy: 1.4335960693010341
Energy: 1.363216013166046
Energy: 1.3150114943147129
Energy: 1.331370488165482
Energy: 1.3573850160005638
Energy: 1.3838223657865687
Energy: 1.552877151421813
Energy: 1.4697570224748944
Energy: 1.4058905949206644
Energy: 1.3849463993381212
Energy: 1.3770524300538802
Energy: 1.3793015264749982
Energy: 1.367503356973691
Energy: 1.3311095066029024
Energy: 1.3520625907117494
Energy: 1.5449673020319123
Energy: 1.3826854420305539
Energy: 1.3608414709118093
Energy: 1.351657838963808

minimum gb energy = 1.2838723569018655 eV
minimum distance =  2.25118068766266 Angstroms
sigma value = 437


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

Energy: 1.5667429053446682
Energy: 1.4424357892690298
Energy: 1.4097035417447221
Energy: 1.4566278628069904
Energy: 1.434494111656697
Energy: 1.4589831776657678
Energy: 1.4088832278750656
Energy: 1.4067065623557735
Energy: 1.4352261098861234
Energy: 1.367268082811551
Energy: 1.5272930446042978
Energy: 1.413755470840811
Energy: 1.487106252314727
Energy: 1.3889359866714035
Energy: 1.4065451018491215
Energy: 1.3555066076686413
Energy: 1.3777085923533339
Energy: 1.3804131257330623
Energy: 1.4854581245159824
Energy: 1.4040500562927698
Energy: 1.5965579541206625
Energy: 1.3197568295771995
Energy: 1.535420680334392
Energy: 1.441898651412622
Energy: 1.3712548110182545
Energy: 1.403646505021042
Energy: 1.39151452141727
Energy: 1.3925172173962386
Energy: 1.3149725452268735
Energy: 1.539776524543076
Energy: 1.5232107714824794
Energy: 1.4734310199516727
Energy: 1.5269011924758955
Energy: 1.4735294393206262
Energy: 1.3932379552384566
Energy: 1.3786628718331593
Energy: 1.4508241667324346
Energy: 1.4153281093640846
Energy: 1.5174918364610588
Energy: 1.5288507139774756
Energy: 1.4075995040976914
Energy: 1.417042145631991
Energy: 1.3849628893176087
Energy: 1.4178791010870035
Energy: 1.4956421812233858
Energy: 1.5052692753127332
Energy: 1.503107512728213
Energy: 1.5056848907139526
Energy: 1.3124852535765286
Energy: 1.3348008618884826
Energy: 1.2899505420517503
Energy: 1.3360332942439395
Energy: 1.3185054043205662
Energy: 1.6087420745478938
Energy: 1.5015192124612804
Energy: 1.3874453160793172
Energy: 1.3980746782304554
Energy: 1.456260554031055
Energy: 1.2898751130022994
Energy: 1.2906204850985061
Energy: 1.2888788642216549
Energy: 1.296537639866058
Energy: 1.39700713932649
Energy: 1.3952620563660172
Energy: 1.5191557112803342
Energy: 1.4723123950666637
Energy: 1.349308493847107
Energy: 1.3552441214906943
Energy: 1.3311954628468061
Energy: 1.3388850796819063
Energy: 1.288213159714887
Energy: 1.2927856355893632
Energy: 1.292577381399369
Energy: 1.4048145153114815
Energy: 1.350388354603482
Energy: 1.3331983797647795
Energy: 1.4522662962478434
Energy: 1.4073503862858465
Energy: 1.346180150372858
Energy: 1.295792131857051
Energy: 1.567816008657844
Energy: 1.2891639308581715
Energy: 1.3312581788512072
Energy: 1.5126735915872154
Energy: 1.4023643520240483
Energy: 1.3789542780474655
Energy: 1.4050900715557697
Energy: 1.428224683011839
Energy: 1.5183411710635673
Energy: 1.517344622478561
Energy: 1.486392052405978
Energy: 1.2899137948040802
Energy: 1.3142493601069702
Energy: 1.470375641482272
Energy: 1.3901429570949848
Energy: 1.3733814349462867
Energy: 1.4013140696934658
Energy: 1.435609842640985
Energy: 1.3859429125902876
Energy: 1.4962885786160196
Energy: 1.4417201063144809
Energy: 1.377584308775623
Energy: 1.5357057392211957
Energy: 1.4159608952841425
Energy: 1.417205200152542
Energy: 1.3834192424892207
Energy: 1.4821113769040324
Energy: 1.5696324800928436
Energy: 1.557952707123202
Energy: 1.464780037071597
Energy: 1.4263444639752734
Energy: 1.538950102231909
Energy: 1.337399913891879
Energy: 1.5141163686987145
Energy: 1.4965256274459877
Energy: 1.4277399655385659
Energy: 1.4464591677147096
Energy: 1.518502780426836
Energy: 1.3126743190253456
Energy: 1.4875755587813955
Energy: 1.4859552684289636
Energy: 1.4047113731537795
Energy: 1.3752904147634417
Energy: 1.5384972489301385
Energy: 1.4907855642055587
Energy: 1.3709855822412
Energy: 1.4042522364098349
Energy: 1.4147669647781966
Energy: 1.4409335029111505
Energy: 1.4176963549717478
Energy: 1.5654706713789392
Energy: 1.4022125830654202
Energy: 1.4063188670711995
Energy: 1.4516544393917343
Energy: 1.5552292154577767
Energy: 1.5481586402585197
Energy: 1.4904590365916286
Energy: 1.4303282986317751
Energy: 1.3522644827253747
Energy: 1.4147144814896264

minimum gb energy = 1.288213159714887 eV
minimum distance =  2.24306337681805 Angstroms
sigma value = 33