Model name: model_name=EAM_Dynamo_ChamatiPapanicolaouMishin_2006_Fe__MO_960699513424_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=2.8665000349283223
cohesive_energy=4.280336677243816
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=[1.7036585019975598e-19, 2.5228514149617598e-19, 3.1804808361534e-19, 3.7654996122921598e-19, 4.2778436563126797e-19, 4.69352838400398e-19, 5.02333644411288e-19, 5.28612545562156e-19, 5.499070752046499e-19, 5.679411753969539e-19, 5.841167506938179e-19, 5.9925411553185e-19, 6.135823811697119e-19, 6.26934921237468e-19, 6.3904417223724e-19, 6.497210773262161e-19, 6.588951407324999e-19, 6.665743733392619e-19, 6.728180556819599e-19, 6.777111031221959e-19, 6.813512484346439e-19, 6.838394287472459e-19, 6.852717746580419e-19, 6.85731599352e-19, 6.85244537655264e-19, 6.836808132604799e-19, 6.80864186737908e-19, 6.76571955535422e-19, 6.70501308269196e-19, 6.622517007807299e-19, 6.513056300172419e-19, 6.37007805735426e-19, 6.185202895557e-19, 5.94758407896846e-19, 5.64339482323722e-19, 5.25507527245464e-19, 4.7614286297529e-19, 4.1389349421448797e-19, 3.34971875400282e-19, 2.2537818710478e-19, 4.1348974570271994e-20, -3.2024306560391995e-19, -1.018072700719254e-18, -2.2188544204266e-18, -3.9292741078196395e-18, -5.4375631910672394e-18, -3.5420921024472e-18, 1.31032413835056e-17, 8.271653438949839e-17, 3.3613345345993197e-16, 1.2549400964664479e-15, 4.86433643495472e-15]
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: 0.014851375621896454
Energy: 0.10392207517942391
Energy: 0.08948127917242125
Energy: 0.09193259248554984
Energy: 0.10357936231792313
Energy: 0.10338931192093645
Energy: 0.10415554746850177
Energy: 0.09033431892401785
Energy: 0.09227121116864069
Energy: 0.01752316489890319
Energy: 30.603672420152765
Energy: 9.63948931748915
Energy: 11.360751411559294
Energy: 0.01580113799525102
Energy: 0.016107474467141468
Energy: 0.08963594884309949
Energy: 0.08857470694261195
Energy: 0.10315454109833168
Energy: 0.08850995341825542
Energy: 0.10569134548288042
Energy: 29.982881167362827
Energy: 0.0885225401020703
Energy: 0.10316612439842056
Energy: 0.01843643570168486
Energy: 9.996429830815043
Energy: 0.10316454385594835
Energy: 0.017041658567835263
Energy: 0.015398975549802898
Energy: 12.302068555491845
Energy: 0.08980168895211302
Energy: 0.016449357610177573
Energy: 0.1041687692672769
Energy: 0.08806438931876498
Energy: 10.845982039748058
Energy: 0.09493069979035058
Energy: 0.10584160957996325
Energy: 0.016096845929338497
Energy: 0.015603270400830092
Energy: 0.08893620998596675
Energy: 0.015263951199405205
Energy: 0.016852819702064904
Energy: 0.09202108836705722
Energy: 10.908938351195916
Energy: 0.01596462753359776
Energy: 0.015051946696962228
Energy: 0.08860330594726608
Energy: 0.09153763707516663
Energy: 0.08983349774818757
Energy: 0.08863107051781621
Energy: 0.014976429504129649
Energy: 29.947353120457215
Energy: 0.09176271335632975
Energy: 0.10679014389159194
Energy: 0.015496110470271985
Energy: 0.015121303584561098
Energy: 0.08910380243749134
Energy: 0.01551735716857164
Energy: 0.016711744166308495
Energy: 0.10422661658459952
Energy: 0.0887904964809863
Energy: 0.015163997210985105
Energy: 0.10364807811312549
Energy: 0.08847813039325754
Energy: 0.10348905958487406
Energy: 10.314339027134762
Energy: 0.10287027701785925
Energy: 0.015705886149190416
Energy: 0.016651308999484464
Energy: 0.1031960263544193
Energy: 0.08985713369953255

minimum gb energy = 0.014851375621896454 eV
minimum distance =  2.48072108884505 Angstroms
sigma value = 3


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

Energy: 1.3015164085979682
Energy: 1.3756874285071299
Energy: 1.286668291637654
Energy: 1.3220334364719684
Energy: 1.3314673843660458
Energy: 1.3616704779177653
Energy: 1.2916711811900716
Energy: 1.3495043732351786
Energy: 1.3242418401360974
Energy: 1.3304705501534106
Energy: 1.3252782860493395
Energy: 1.2985541511459737
Energy: 1.3709358081281575
Energy: 1.2951582394920769
Energy: 1.3970470420066299
Energy: 1.3543216195937116
Energy: 1.3353535551564755
Energy: 1.296196196036008
Energy: 1.3603299343461839
Energy: 1.2894246952181763
Energy: 1.2864822275341732
Energy: 1.3175254581388949
Energy: 1.3653052189543378
Energy: 1.268793401932101
Energy: 1.3205605628603523
Energy: 1.3230041807346307
Energy: 1.2978861191822246
Energy: 1.3240393633216019
Energy: 1.5030033182826807
Energy: 1.3471877890486041
Energy: 1.2796170437722734
Energy: 1.3740367034905485
Energy: 1.3200336833448978
Energy: 1.3244069876169529
Energy: 1.2879075165030784
Energy: 1.326029294203055
Energy: 1.2951530717337902
Energy: 1.3440503441276521
Energy: 1.3223316039585862
Energy: 1.3257982522252194
Energy: 1.2798626334874588
Energy: 1.3268855372175448
Energy: 1.3209682033319445
Energy: 1.3451520358916471
Energy: 1.2870477667238476
Energy: 1.3616528241313834
Energy: 1.2893105397130438
Energy: 1.292825018703941
Energy: 1.3261393793270708
Energy: 1.3205758066133024
Energy: 1.2907731301445338
Energy: 1.3059813990261926
Energy: 1.2865435849280222
Energy: 1.29594751533161
Energy: 1.3231514216019036
Energy: 1.2887463043983671
Energy: 1.2886951817599626
Energy: 1.2904356958037413
Energy: 1.319758947392723
Energy: 1.3128772257064976
Energy: 1.328939241740484
Energy: 1.2886761613963738
Energy: 1.2902052055462867
Energy: 1.2913625268762745
Energy: 1.2887411045239365
Energy: 1.323420828372833
Energy: 1.333335537967127
Energy: 1.4345225526524936
Energy: 1.3284701412690962
Energy: 1.3349907061982162
Energy: 1.3962338586832226
Energy: 1.288892722408153
Energy: 1.3022452176364108
Energy: 1.3027512320806818
Energy: 1.3031578695451531
Energy: 1.2784692084369014
Energy: 1.2802534804432666
Energy: 1.3309029828680055
Energy: 1.3027518485966356
Energy: 1.2938762380602564
Energy: 1.286786476051487
Energy: 1.315633212098032
Energy: 1.2804558051829869
Energy: 1.27524684448053
Energy: 1.280077700309063
Energy: 1.296233645705731
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Energy: 1.2868565425843506
Energy: 1.3286173338501672
Energy: 1.281514091273017
Energy: 1.3229989784921308
Energy: 1.2699392303421362
Energy: 1.2834209659282438
Energy: 1.3265320231821138
Energy: 1.297981455682819
Energy: 1.2824966498000874
Energy: 1.2821419956228375
Energy: 1.2822439633378269
Energy: 1.2875185089014325
Energy: 1.3522948827974557
Energy: 1.3225856096974336
Energy: 1.3210069558500257
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Energy: 1.2968017252353126
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Energy: 1.296233404916434
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Energy: 1.3401024623425528
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Energy: 1.291929001812672
Energy: 1.401051763635389
Energy: 1.3301556028345864
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Energy: 1.3532943821171561
Energy: 1.3376504880970561
Energy: 1.3431989563445532
Energy: 1.3348585441495544
Energy: 1.2996232234867822
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Energy: 1.312496589996377
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Energy: 1.3014243331974324
Energy: 1.378898738481127
Energy: 1.3481575176314908
Energy: 1.370284027357551
Energy: 1.3157044163011309
Energy: 1.3632436400086487
Energy: 1.4006414031611605
Energy: 1.317171582689249
Energy: 1.2828002342396883
Energy: 1.2665747718590024
Energy: 1.4092207674253763
Energy: 1.3227611433667446
Energy: 1.2950020573410186
Energy: 1.3289941673312722
Energy: 1.3597760820307965
Energy: 1.2838225247240984
Energy: 1.380134927895136
Energy: 1.3074645629299755
Energy: 1.3790409874382945
Energy: 1.2660956498205094
Energy: 1.378151609495516
Energy: 1.3417656459519867
Energy: 1.3517666206514578
Energy: 1.3298746956291787
Energy: 1.2845347812784047
Energy: 1.3336255369024679
Energy: 1.3092396883012622
Energy: 1.3663600262057667
Energy: 1.3013433108672536
Energy: 1.398284380401724
Energy: 1.3089131919499368
Energy: 1.3302458534395931
Energy: 1.3448956238564604
Energy: 1.3661626111200296
Energy: 1.2993402028351013
Energy: 1.3609817821499905
Energy: 1.3293870663622331
Energy: 1.3822615247730046
Energy: 1.2669290502888109
Energy: 1.3179891589445076
Energy: 1.3139611236357713
Energy: 1.2820133594403298
Energy: 1.2658084526563589
Energy: 1.3666797199407965
Energy: 1.3374633606917343
Energy: 1.3247607467161546
Energy: 1.3437071309789346
Energy: 1.31891780617987
Energy: 1.3027124608738099
Energy: 1.29992071160826
Energy: 1.3176949767449582
Energy: 1.3324212727540201
Energy: 1.3505072050026448
Energy: 1.332045433481059
Energy: 1.3642679030580198
Energy: 1.3731322801828927
Energy: 1.287975308564536
Energy: 1.3209766295753127
Energy: 1.319738995629017
Energy: 1.2797905085569625
Energy: 1.3065591872396245
Energy: 1.2632065378886765
Energy: 1.3318022197388741
Energy: 1.3315644579051242
Energy: 1.3313085850847093
Energy: 1.333785604408754
Energy: 1.2712674359367224
Energy: 1.3175529432221027
Energy: 1.3106394728461652
Energy: 1.2781663016754015
Energy: 1.3003192178046352
Energy: 1.363941663801047
Energy: 1.3211209059805722
Energy: 1.339125181235238
Energy: 1.3276136875912454
Energy: 1.3115606764037173
Energy: 1.3140539633977157
Energy: 1.3187737976874323
Energy: 1.3235942866247388
Energy: 1.2820488823782428
Energy: 1.3033268558592221
Energy: 1.299043689547287
Energy: 1.2968714037989433
Energy: 1.2951722605834888
Energy: 1.3400797432362224
Energy: 1.2703805073452519
Energy: 1.335479015235398
Energy: 1.3732178462312536
Energy: 1.3026454936709013
Energy: 1.3577027662107024
Energy: 1.3027233982778756
Energy: 1.3023552850752382
Energy: 1.2988470974969866
Energy: 1.2994178760308597
Energy: 1.3037052183683604
Energy: 1.3020357240000604
Energy: 1.329974399548912
Energy: 1.3218732026512119
Energy: 1.2909815489095626
Energy: 1.317442616884394
Energy: 1.3112145019085866
Energy: 1.273801342794427
Energy: 1.2673713392724923
Energy: 1.2682593673995635
Energy: 1.3108149614962543
Energy: 1.289687203120111
Energy: 1.2884492916812094
Energy: 1.2890390554931876
Energy: 1.3479032458805948
Energy: 1.2935414174230886
Energy: 1.28875494103377
Energy: 1.2709554111148067
Energy: 1.2693474258154613
Energy: 1.2980280782494513
Energy: 1.3527376775299396
Energy: 1.2892039523826786
Energy: 1.2974785101279307
Energy: 1.2825901218848241
Energy: 1.2925495121369386
Energy: 1.3316655855806723
Energy: 1.3186670641408023
Energy: 1.3273334113639241
Energy: 1.3220030080292207
Energy: 1.3021672284120527
Energy: 1.342891170426263
Energy: 1.3584387557082935
Energy: 1.3645269657411598
Energy: 1.3237553813222782
Energy: 1.3181492147045923
Energy: 1.3180448412300303
Energy: 1.2925959488328822
Energy: 1.3348886437041396
Energy: 1.32613199723519
Energy: 1.3563411239637346
Energy: 1.289156616342097
Energy: 1.3169588882759726
Energy: 1.3738637320273783
Energy: 1.3373283085101881
Energy: 1.3745004429006011
Energy: 1.3758601940311492
Energy: 1.2954579994247286
Energy: 1.3462798195356194
Energy: 1.3391748871015767
Energy: 1.2914136460209102
Energy: 1.3258846164577789
Energy: 1.3667359642688965
Energy: 1.3263500070633023
Energy: 1.2875608809339358
Energy: 1.2843508263944876
Energy: 1.3198993300974566
Energy: 1.3672931118425538
Energy: 1.3897358052400284
Energy: 1.3712628425753641
Energy: 1.2866648479848253
Energy: 1.2738080597596857
Energy: 1.3605940148173081
Energy: 1.3161651201851783
Energy: 1.3184078153263465
Energy: 1.331460934630632
Energy: 1.3731836241529751
Energy: 1.292125910295695
Energy: 1.3901512774288503
Energy: 1.3572536160834692
Energy: 1.3092091544032778

minimum gb energy = 1.2632065378886765 eV
minimum distance =  2.31046468768685 Angstroms
sigma value = 75


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

Energy: 2.4532130818140674
Energy: 1.3636911692399156
Energy: 1.3289027121255055
Energy: 1.295270088311994
Energy: 1.3683421470055854
Energy: 1.3105332107077603
Energy: 1.3091931853870178
Energy: 1.308837656989965
Energy: 1.3289409562607675
Energy: 1.3290314604624656
Energy: 1.3007457793355586
Energy: 1.3297306772720168
Energy: 1.3352042232982235
Energy: 1.3213680784122852
Energy: 1.349318280535485
Energy: 1.3285775975310852
Energy: 1.3093781896239078
Energy: 1.3081896775541302
Energy: 1.307791282208414
Energy: 1.3276669827867154
Energy: 1.3002902125166973
Energy: 1.3423762911547512
Energy: 1.3291866754415065
Energy: 1.3481956919595244
Energy: 1.311947659490218
Energy: 1.3583812383498899
Energy: 1.3226970896873786
Energy: 1.3229038365020676
Energy: 1.466761729551688
Energy: 1.367715329545121
Energy: 1.442144938715112
Energy: 1.3650323686793464
Energy: 1.3693162797715361
Energy: 1.3630611074198058
Energy: 1.3074663205166044
Energy: 1.3068733185551031
Energy: 1.3093100095128325
Energy: 1.3731249349344068
Energy: 1.370469607523628
Energy: 1.371551607023135
Energy: 1.4471655555512273
Energy: 1.307811011908911
Energy: 1.3092181496508979
Energy: 1.3104556468007211
Energy: 1.3098435633465288
Energy: 1.3113028866688854
Energy: 1.311622912761363
Energy: 1.2862491384306887
Energy: 1.3541227871286337
Energy: 1.3445692486720282
Energy: 1.29916232391426
Energy: 1.356599120863561
Energy: 1.3080104178028362
Energy: 1.3072006673280538
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Energy: 1.311022397541379
Energy: 1.3091924025429709
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Energy: 1.2983988306634189
Energy: 1.3170401839349197
Energy: 1.3201976497946337
Energy: 1.316137311794993
Energy: 1.3178993872035916
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Energy: 1.2981470718655885
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Energy: 1.3591900938655463
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Energy: 1.3070389760519214
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Energy: 1.2898268386839278
Energy: 1.3550774795517073
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Energy: 1.3708520018733672
Energy: 1.3705034833869183
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Energy: 1.339370607362873
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Energy: 1.350062044912442
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Energy: 1.3244265144623637
Energy: 1.2864763283272813
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Energy: 1.3956286615939575
Energy: 1.311524604646001
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Energy: 1.315047193952683
Energy: 1.355480992722131
Energy: 1.3201746298957042
Energy: 1.370001024560483
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Energy: 1.3030612339746548
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Energy: 1.3170113557102507
Energy: 1.348051154828328
Energy: 1.3540101909471078
Energy: 1.3794757130147213
Energy: 1.3422668988961084
Energy: 1.3167389784952475
Energy: 1.317652035349584
Energy: 1.3207989937166362
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Energy: 1.3091770292028104
Energy: 1.3106511651382804
Energy: 1.3066754348041736
Energy: 1.4263912753845422
Energy: 1.3212531522624251
Energy: 1.3202221460889498
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Energy: 1.3190040441540734
Energy: 1.3180216429109914
Energy: 1.3165371996549105
Energy: 1.3120421633840191
Energy: 1.2971585719292558
Energy: 1.2984616695661015
Energy: 1.2903867755457235
Energy: 1.3572981188324384
Energy: 1.318709068256626
Energy: 1.3200761438618924
Energy: 1.318873315557837
Energy: 1.3121414193856158
Energy: 1.3069689914617075
Energy: 1.2979614028526874
Energy: 1.3223687619760642
Energy: 1.319645249385095
Energy: 1.3196893489490948
Energy: 1.311264511293288
Energy: 1.31845816502155
Energy: 1.287009428542519
Energy: 1.3469229447470228
Energy: 1.3006941720337037
Energy: 1.3084836947498302
Energy: 1.3158061187243049
Energy: 1.3591398560720864
Energy: 1.3071680443108717
Energy: 1.3170648325808625
Energy: 1.285763575990186
Energy: 1.3575740282802213
Energy: 1.3415699914374046
Energy: 1.3042422632610904
Energy: 1.356910689294406
Energy: 1.3422092185364456
Energy: 1.3172030152138399
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Energy: 1.325619986492287
Energy: 1.2882048753357458
Energy: 1.2797964004186855
Energy: 1.353515289807022
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Energy: 1.3462031643171108
Energy: 1.3202515517275009
Energy: 1.3250731704199867
Energy: 1.3788039459815795
Energy: 1.307523728973342
Energy: 1.37541443522601
Energy: 1.3156493939949678
Energy: 1.3433166935751621
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minimum gb energy = 1.2625742384591345 eV
minimum distance =  2.296728782252 Angstroms
sigma value = 105


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

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Energy: 1.2558629175035418
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Energy: 1.309191582439938
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Energy: 1.2564087190626505
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Energy: 1.2569335207354797
Energy: 1.2557655303245696
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Energy: 1.3322949429219633
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Energy: 1.2838506194933432
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Energy: 1.2556480833838832
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Energy: 1.3285521438190548
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Energy: 1.256211309017535
Energy: 1.2971695139190818
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Energy: 1.2775091871173765
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Energy: 1.2984216823262278
Energy: 1.3137322277918992
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Energy: 1.3463546962431072
Energy: 1.2563638049856418
Energy: 1.2553245492013094
Energy: 1.2958824928733819
Energy: 1.3039735259889762
Energy: 1.308345176903938
Energy: 1.3192786907773093
Energy: 1.3104110202847343
Energy: 1.2557062169602704
Energy: 1.330901061177175
Energy: 1.257000584497312
Energy: 1.5130062076496533
Energy: 1.335030246140745
Energy: 1.3329533331810726
Energy: 1.3214356366262305
Energy: 1.332722473408815
Energy: 1.3188576713463702
Energy: 1.3132314967058614
Energy: 1.3320840611584532
Energy: 1.3325552430894687
Energy: 1.3297122025546244
Energy: 1.3213053137184905
Energy: 1.3173741936196632
Energy: 1.255152335090702
Energy: 1.256346530645596
Energy: 1.3211333968359629
Energy: 1.3211036025966798
Energy: 1.3244532563375209
Energy: 1.3231207650482115
Energy: 1.3221226059923725
Energy: 1.312597545438567
Energy: 1.500957936428971
Energy: 1.312247263536005
Energy: 1.2573056117880932
Energy: 1.3362505539209146
Energy: 1.3205378924951106
Energy: 1.3613821865017617
Energy: 1.3312850838478538
Energy: 1.3112199254204782
Energy: 1.311451512488124
Energy: 1.3121752589955882
Energy: 1.371994169983761
Energy: 1.3122548586331344
Energy: 1.327406649759187
Energy: 1.281690939654489
Energy: 1.3116908224176176
Energy: 1.3090341439484343
Energy: 1.3750737770301908
Energy: 1.312120633828024
Energy: 1.3306141045197706
Energy: 1.3168321323020047
Energy: 1.2986192318818024
Energy: 1.3094787117380529
Energy: 1.3061848261873399
Energy: 1.3055002004397656
Energy: 1.2554854772031885
Energy: 1.311433894519064
Energy: 1.2825950429467634
Energy: 1.2803909228185728
Energy: 1.3150085639851337
Energy: 1.3193058712371448
Energy: 1.2918390942441882
Energy: 1.3417552496747
Energy: 1.299323973216337
Energy: 1.321906734539213
Energy: 1.3343198456675767
Energy: 1.3244855859989824
Energy: 1.280089379134199
Energy: 1.3254340387239618
Energy: 1.2566982594755554
Energy: 1.2819916529122821

minimum gb energy = 1.2550999534384162 eV
minimum distance =  2.32502116261827 Angstroms
sigma value = 165


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

Energy: 1.3927601665862563
Energy: 1.2590619978460782
Energy: 1.25871619162673
Energy: 1.2570103231251615
Energy: 1.2971457432780025
Energy: 1.2837896317928206
Energy: 1.2563912089277167
Energy: 1.255390156502367
Energy: 1.2782875462539403
Energy: 1.2492533375389963
Energy: 1.2569771734357662
Energy: 1.2538830550334847
Energy: 1.2562212283531342
Energy: 1.250758237393036
Energy: 1.2513308741637412
Energy: 1.256341346446584
Energy: 1.2544772701745666
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Energy: 1.2865496307633018
Energy: 1.2959733858936253
Energy: 1.2585295921264257
Energy: 1.2546218341187994
Energy: 1.3020604932013935
Energy: 1.3468642138912152
Energy: 1.2592956828930542
Energy: 1.25757900980965
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Energy: 1.2970142428420726
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Energy: 1.2734383092268475
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Energy: 1.255067385470006
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Energy: 1.275895121480416
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Energy: 1.25485520893823
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Energy: 1.2483552362236356
Energy: 1.296663671553241
Energy: 1.2985338364868282
Energy: 1.2513654740595987
Energy: 1.2726032943350358
Energy: 1.2965484721118552
Energy: 1.2781231645009963
Energy: 1.2583591747269014
Energy: 1.2575996744193771
Energy: 1.2580767481802575
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Energy: 1.255552844611677
Energy: 1.2704323630865015
Energy: 1.2645424246970296
Energy: 1.297117566484301
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Energy: 1.2574496702484081
Energy: 1.345791226197175
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Energy: 1.2972044885909522
Energy: 1.255353617174943
Energy: 1.2562629355841486
Energy: 1.2959944430967314
Energy: 1.2553668528558295
Energy: 1.2565285838102156
Energy: 1.2709485553727145
Energy: 1.2567733444761127
Energy: 1.254374435940439
Energy: 1.2561106803137458
Energy: 1.2586004189393054
Energy: 1.2981043155622545
Energy: 1.2991108945702656
Energy: 1.2564201417891863
Energy: 1.256168829542005
Energy: 1.2579988414608927
Energy: 1.2760124373116921
Energy: 1.2559473817527536
Energy: 1.295607759672164
Energy: 1.2753179538790722
Energy: 1.2553536438069033
Energy: 1.2589684523573834
Energy: 1.297401705501758
Energy: 1.2546931537915715
Energy: 1.2565106311900265
Energy: 1.254942855520514
Energy: 1.2760546466178562
Energy: 1.2565127794901563
Energy: 1.2568795159237272
Energy: 1.2415474990394377
Energy: 1.2558791735772685
Energy: 1.2600871863669372
Energy: 1.2668739891829792
Energy: 1.2598794936503879
Energy: 1.273226710347215
Energy: 1.2579261465491447
Energy: 1.2493648812452702
Energy: 1.2979188696812407
Energy: 1.253959639900082
Energy: 1.2561853671359262
Energy: 1.2579600510819249
Energy: 1.2974931270862162
Energy: 1.2476688059598386
Energy: 1.2459719612778881
Energy: 1.256308334919685
Energy: 1.255068600868461

minimum gb energy = 1.2415474990394377 eV
minimum distance =  2.32726694570909 Angstroms
sigma value = 41


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

Energy: 2.9218273590670063
Energy: 1.2123291599207402
Energy: 1.2664279627950166
Energy: 1.2333293848083011
Energy: 1.225845116491595
Energy: 1.2262530368161888
Energy: 1.2887020009481807
Energy: 1.3243087730373726
Energy: 1.193409501468961
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Energy: 1.242923179828679
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Energy: 1.215300463912474
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Energy: 1.1995699030892166
Energy: 1.3387147537813278
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Energy: 1.2065957587207388
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Energy: 1.258189956551534
Energy: 1.3368117164389421
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Energy: 1.2288664466632329
Energy: 1.2174958326210745
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Energy: 1.1901696606870373
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Energy: 1.1788628440263091
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Energy: 1.32915168621798
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Energy: 1.1781322613503238
Energy: 1.1994497826768444
Energy: 1.2166580098113278
Energy: 1.1271358272977707
Energy: 1.1251958222433602
Energy: 1.295676429999015
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Energy: 1.177408066415597
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Energy: 1.1954765431934904
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Energy: 1.2272998131266057
Energy: 1.2256656330471523
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Energy: 1.1794314567595974
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Energy: 1.2519535306592122
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Energy: 1.2187736606251647
Energy: 1.2441611329352633
Energy: 1.2227955979439282
Energy: 1.2630562567347976
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Energy: 1.3101133829035838
Energy: 1.2919407765747046
Energy: 1.2287017045508244
Energy: 1.1791078468121825
Energy: 1.279178646890952
Energy: 1.2220724956372016
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Energy: 1.2742184794802005
Energy: 1.2601108888534749
Energy: 1.2323076155798014
Energy: 1.223363907326375
Energy: 1.2502231786310232
Energy: 1.2276492325363522
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Energy: 1.1793538982442728
Energy: 1.1492563941575296
Energy: 1.240770409391345
Energy: 1.1706933852495172
Energy: 1.2249411931054668
Energy: 1.2754808805795759
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Energy: 1.1850161226489226
Energy: 1.2386399848019878
Energy: 1.1792169422777026
Energy: 1.1949687298884517
Energy: 1.1933466450050314
Energy: 1.2367092438207155
Energy: 1.1936956421942526
Energy: 1.2131513506785743
Energy: 1.2402993421404116
Energy: 1.1804932767541791
Energy: 1.2391609949371438
Energy: 1.2719335484766192
Energy: 1.2269859580448401
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Energy: 1.2189167639143796
Energy: 1.2111857143392761
Energy: 1.1805401744522388
Energy: 1.2137747307989815
Energy: 1.2412599425562794
Energy: 1.2188302824505473
Energy: 1.209639023889622
Energy: 1.3682770411580205
Energy: 1.3678441712877452
Energy: 1.2861009160337074
Energy: 1.1991492118687241
Energy: 1.2832719164941238
Energy: 1.1847912783028003
Energy: 1.3135935328809647
Energy: 1.216530841706626
Energy: 1.2115849836848298
Energy: 1.303626061841601
Energy: 1.2403384293676094
Energy: 1.1797020714532302
Energy: 1.2912998692463002
Energy: 1.1865191486586353
Energy: 1.2056090109356254
Energy: 1.1811579425397176
Energy: 1.2359170668485866
Energy: 1.3644228131861142
Energy: 1.3291684595894904
Energy: 1.1822364111742605
Energy: 1.1876789052940508
Energy: 1.178745947781813
Energy: 1.1790857001989374
Energy: 1.2078212681472895
Energy: 1.1968238814833443

minimum gb energy = 1.1249698285126104 eV
minimum distance =  2.31679692981165 Angstroms
sigma value = 185


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

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Energy: 1.283417211688052
Energy: 1.4898598918592536
Energy: 1.3026284148738096
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Energy: 1.3013542063362757
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Energy: 1.4194591140938482
Energy: 1.4562722146626543
Energy: 1.4981583813336117
Energy: 1.3019765286208853
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Energy: 1.4096272054557508
Energy: 1.488611276303702
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Energy: 1.2626128507721133
Energy: 1.2756279096982046
Energy: 1.4118210604079333
Energy: 1.4718162364256269
Energy: 1.5053050442311429
Energy: 1.314112752686217
Energy: 1.2779715078961025
Energy: 1.416909404909051
Energy: 1.4370361442674362
Energy: 1.4199777181584916
Energy: 1.2873274534103023
Energy: 1.2814574939000567
Energy: 1.2809446896845944
Energy: 1.2805711053181434
Energy: 1.2844064246952809
Energy: 1.282330309310883
Energy: 1.2809732557168938
Energy: 1.2783745646232583
Energy: 1.2793620441598192
Energy: 1.2780937184025676
Energy: 1.4049924786113115
Energy: 1.45224865899131
Energy: 1.5026669703421887
Energy: 1.5542947159451443
Energy: 1.2788681922197185
Energy: 1.4124421130541702
Energy: 1.411240054049981
Energy: 1.278963840420007
Energy: 1.2793690513572569
Energy: 1.277923690395531
Energy: 1.2960888756981723
Energy: 1.263821227593166
Energy: 1.3049978792633263
Energy: 1.292027129469018
Energy: 1.5024441550108163
Energy: 1.310035761066856
Energy: 1.5638310597972196
Energy: 1.3362557325982567
Energy: 1.4059655348081022
Energy: 1.3207397287804001
Energy: 1.398326717231255
Energy: 1.3063061734416062
Energy: 1.26388970902636
Energy: 1.3026059154471064
Energy: 1.2759939898856256

minimum gb energy = 1.2567679637448477 eV
minimum distance =  2.32215999996955 Angstroms
sigma value = 33


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

Energy: 2.6196832928205662
Energy: 1.2585094645954258
Energy: 1.271356958608089
Energy: 1.2691792752507527
Energy: 1.291798020070568
Energy: 1.414480799946703
Energy: 1.4064662275038078
Energy: 1.3832061500608568
Energy: 1.2688503331682095
Energy: 1.242943330381095
Energy: 1.2513778525739505
Energy: 1.4378402878165826
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Energy: 1.2631638367094409
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Energy: 1.2804958292690383
Energy: 1.2500648210578489
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Energy: 1.2508745293116967
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Energy: 1.24361474018357
Energy: 1.4091679139910644
Energy: 1.2804530460835986
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Energy: 1.281193645230894
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Energy: 1.2617215549809824
Energy: 1.3925779229026543
Energy: 1.4056658012108516
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Energy: 1.2640427228989577
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Energy: 1.265436631609549
Energy: 1.256069120627523
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Energy: 1.3731180461369787
Energy: 1.241632142587372
Energy: 1.2817141175668918
Energy: 1.242188268980764

minimum gb energy = 1.2410706796699749 eV
minimum distance =  2.32229941900918 Angstroms
sigma value = 219


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

Energy: 2.134604418082124
Energy: 1.1587166170153487
Energy: 1.1345286769890022
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Energy: 1.1582177256647421
Energy: 1.115482506557113
Energy: 1.1151618763557132
Energy: 1.1584113977847506
Energy: 1.1337294732850016

minimum gb energy = 1.1147373168585275 eV
minimum distance =  2.36568195142294 Angstroms
sigma value = 15


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

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Energy: 1.3645359618741046
Energy: 1.357370125006743
Energy: 1.386928657933346
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Energy: 1.415988173559258
Energy: 1.3947226200866112
Energy: 1.366753446664973
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Energy: 1.367249301053214
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Energy: 1.366867748551168
Energy: 1.4193855675495426
Energy: 1.38067748893046
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minimum gb energy = 1.3435672368337415 eV
minimum distance =  2.32608729413248 Angstroms
sigma value = 293


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

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Energy: 1.4169784255333424
Energy: 1.3443623182383249
Energy: 1.4164001354701854
Energy: 1.3875920890910511
Energy: 1.392065369009756
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Energy: 1.4177539179509988
Energy: 1.3855810784273095
Energy: 1.3388302945714736
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Energy: 1.389768142645052
Energy: 1.3465936064172574
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Energy: 1.3910818088398562
Energy: 1.3357201641466503
Energy: 1.4095497892231474
Energy: 1.4179403253865572
Energy: 1.3422431522070208
Energy: 1.343392576602209
Energy: 1.4019010914702037
Energy: 1.3901598411608334
Energy: 1.3890185144042375
Energy: 1.390343830009449
Energy: 1.418339894587184
Energy: 1.4099423009870637
Energy: 1.3848856984340328
Energy: 1.34471309622582
Energy: 1.3471573919282775
Energy: 1.4173401181141314
Energy: 1.3645713652747993
Energy: 1.390391036484724
Energy: 1.3486074233684948
Energy: 1.3812872462440395
Energy: 1.4041235630720856
Energy: 1.3848890674741046
Energy: 1.3853468614519293
Energy: 1.345856380004303
Energy: 1.4087656896403564
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Energy: 1.4532569451641921
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Energy: 1.388074469143219
Energy: 1.3850818563671512
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Energy: 1.3874475395820995
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Energy: 1.4067669466621835
Energy: 1.3381904284800703
Energy: 1.3796820244578583
Energy: 1.3447892973723141
Energy: 1.4184954662819829
Energy: 1.453603046281564
Energy: 1.384138887614514
Energy: 1.3594822549543568
Energy: 1.428994880660786
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Energy: 1.482267857454517
Energy: 1.4613624766253202
Energy: 1.344609834482139
Energy: 1.3571512639204042
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Energy: 1.3439600424678408
Energy: 1.344007925993969
Energy: 1.3898016781999214
Energy: 1.3914041885332395
Energy: 1.3877055763904114
Energy: 1.4330731390416276
Energy: 1.3891807387482549
Energy: 1.3977889627242879
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Energy: 1.3455909218580078
Energy: 1.3697806530896097
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Energy: 1.3895059871582682
Energy: 1.3454097477971712
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Energy: 1.4233573356101459
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Energy: 1.4169751039805945
Energy: 1.3470712942507204
Energy: 1.396555887136922
Energy: 1.394558039521113
Energy: 1.3887733422532536
Energy: 1.3990723506711895
Energy: 1.353368254426016
Energy: 1.426896701907624
Energy: 1.3613865291734781
Energy: 1.3417045098322227
Energy: 1.389219689523243
Energy: 1.4094576834268702
Energy: 1.3833200409572397
Energy: 1.491640554544128
Energy: 1.447134644591135
Energy: 1.429831317733789
Energy: 1.4542990976104238
Energy: 1.3856269871959501
Energy: 1.3711550902400573
Energy: 1.3441965708563741
Energy: 1.4527951925386475
Energy: 1.4423351291910558
Energy: 1.4338514487552645
Energy: 1.3988729375929794
Energy: 1.427772264434252
Energy: 1.4556485905541685
Energy: 1.4531298520477032
Energy: 1.4533932990148635
Energy: 1.389393663141465
Energy: 1.3481765163844346
Energy: 1.3669118896145551
Energy: 1.4537846333303999
Energy: 1.483328765566666
Energy: 1.407623019254467
Energy: 1.4573474220416351
Energy: 1.4282426125519523
Energy: 1.4293089985991247
Energy: 1.3475862961093048
Energy: 1.4328858900031778
Energy: 1.3621146473428571
Energy: 1.4231229191243069
Energy: 1.389023618453378
Energy: 1.3894303253331899
Energy: 1.354332039859141
Energy: 1.3431765215143807
Energy: 1.4026792764067508
Energy: 1.3909879290198621
Energy: 1.3631072872689474
Energy: 1.340985329854343
Energy: 1.346545303446903
Energy: 1.4570405166320244
Energy: 1.340140570583589
Energy: 1.3877810116973284
Energy: 1.3612868915306675
Energy: 1.396121478010682
Energy: 1.3444882501846935
Energy: 1.3578407143971518
Energy: 1.3851576395578407
Energy: 1.3464933593204076
Energy: 1.3553804343524762
Energy: 1.4195902983627937
Energy: 1.4801642795008945
Energy: 1.4671293402182743
Energy: 1.4212496678277051
Energy: 1.382904114811135
Energy: 1.3443921067071987
Energy: 1.357617758493971
Energy: 1.3442255347693637
Energy: 1.3768823613269092
Energy: 1.3444146624415363
Energy: 1.4312047405870871
Energy: 1.4550333934927433
Energy: 1.3797298284143062
Energy: 1.3453218001143512
Energy: 1.3877924436625335
Energy: 1.3920334413545512
Energy: 1.346483741487541
Energy: 1.4169022994609488
Energy: 1.345334148948488
Energy: 1.4038446868553083
Energy: 1.347001090786954
Energy: 1.3765577022053506
Energy: 1.4313272203293912

minimum gb energy = 1.3318033419916067 eV
minimum distance =  2.31147639281524 Angstroms
sigma value = 293


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

Energy: 1.5944056119985761
Energy: 1.2371891335023228
Energy: 1.2375081686193223
Energy: 1.236861344675188
Energy: 1.351853722412587
Energy: 1.3531815925153057
Energy: 1.2360789271058774
Energy: 1.2358816162884008
Energy: 1.2352437584532394
Energy: 1.1369149814750417
Energy: 1.234120909978817
Energy: 1.2431219796057245
Energy: 1.351705286461334
Energy: 1.217366478073066
Energy: 1.24123185669573
Energy: 1.2325461009107155
Energy: 1.2344963278026422
Energy: 1.236899041124521
Energy: 1.3525531948282237
Energy: 1.2328245534094602
Energy: 1.3516570636347336
Energy: 1.3679170397401208
Energy: 1.2351965672122924
Energy: 1.2383632785573273
Energy: 1.3554208273438526
Energy: 1.3510115432502399
Energy: 1.2398287659043614
Energy: 1.2366133733196938
Energy: 1.2338725954902772
Energy: 1.237088576069628
Energy: 1.231973975291768
Energy: 1.1366810689261442
Energy: 1.1375928002079452
Energy: 1.3516674557309274
Energy: 1.366713074826244
Energy: 1.355288481527634
Energy: 1.234203710836341
Energy: 1.3699779005042687
Energy: 1.1354935716521493
Energy: 1.2384437695266053
Energy: 1.35678788085418
Energy: 1.5319469243429162
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Energy: 1.2334528466542645
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Energy: 1.2184825234283838
Energy: 1.3498832123150475
Energy: 1.2439667835034718
Energy: 1.2264488493791559
Energy: 1.2424588332749524
Energy: 1.2385529956279615
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Energy: 1.2334816439476617
Energy: 1.3581520718452713
Energy: 1.3514874656221845
Energy: 1.2347775023896643
Energy: 1.237938999700259
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Energy: 1.2420712935035034
Energy: 1.3673893114992468
Energy: 1.2350341034363128
Energy: 1.3542594992807826
Energy: 1.3543223721075253
Energy: 1.2425653816937459
Energy: 1.232678290540148
Energy: 1.3548753097576187
Energy: 1.351926299733108
Energy: 1.3511701251476411
Energy: 1.2328108539226157
Energy: 1.2306746448458112
Energy: 1.1360292800632104
Energy: 1.2360995954383966
Energy: 1.2333325402584239
Energy: 1.1368573067968457
Energy: 1.532578303742395
Energy: 1.355727635691622
Energy: 1.2386781563053646
Energy: 1.2358323899628414
Energy: 1.3510620516403495
Energy: 1.3634135450745457
Energy: 1.2336999337366414
Energy: 1.3607576061985964
Energy: 1.3505981137280956
Energy: 1.1372931727362972
Energy: 1.2339452020776769
Energy: 1.2325705882781397
Energy: 1.3719216851853693
Energy: 1.3553150816163269
Energy: 1.2325724736681039
Energy: 1.2314279593958022
Energy: 1.2409382173964945
Energy: 1.2356549704339304
Energy: 1.241231109969433
Energy: 1.237564895033292
Energy: 1.357636526750528
Energy: 1.3547351864827182
Energy: 1.2359287971363964
Energy: 1.2392035094292986
Energy: 1.3540320390304545
Energy: 1.3674795678272822
Energy: 1.2310343076008292
Energy: 1.232734188130826
Energy: 1.1383444409209782
Energy: 1.3507592862848192
Energy: 1.23511868605758
Energy: 1.1379984893464568
Energy: 1.3538864790688432
Energy: 1.356884238181356
Energy: 1.3551939524583865
Energy: 1.232701780383391
Energy: 1.3561793767875467
Energy: 1.237214356119666
Energy: 1.2384728453398914
Energy: 1.2414441945458452
Energy: 1.1373829907526334
Energy: 1.1367933056906303
Energy: 1.2352564513854802
Energy: 1.2380337070174507
Energy: 1.235367569775099
Energy: 1.3536440244601677
Energy: 1.2297850782892739
Energy: 1.2330360506510296
Energy: 1.235512179436324
Energy: 1.3540144620977448
Energy: 1.2321192468993698
Energy: 1.2329705346981166
Energy: 1.2434497600608343
Energy: 1.3555569115861823
Energy: 1.2160368719378365
Energy: 1.2401189909529662
Energy: 1.3496451731828667
Energy: 1.3724578224591542
Energy: 1.2387386545870844
Energy: 1.2375719086757069
Energy: 1.2376975325193302
Energy: 1.3558076744435534
Energy: 1.368901213528678
Energy: 1.2346699519441846
Energy: 1.2395430553695204
Energy: 1.3543948560304753
Energy: 1.357334960721604
Energy: 1.2326497274691497
Energy: 1.3712638693948782
Energy: 1.1391741872562458
Energy: 1.234233931459512
Energy: 1.2326957770248876
Energy: 1.137481384441198
Energy: 1.137140665729309
Energy: 1.3512989897376548
Energy: 1.3677173395250581
Energy: 1.2180053951526695
Energy: 1.3499335692192485
Energy: 1.2400807827903795
Energy: 1.233004818196132
Energy: 1.2409055534069418
Energy: 1.355011257213272
Energy: 1.533801682112099
Energy: 1.1357156561890356
Energy: 1.2311330452428253
Energy: 1.2408838604074237
Energy: 1.3554342641647135
Energy: 1.2393678915297004
Energy: 1.235135413947924
Energy: 1.2401212950394602
Energy: 1.36979811990801
Energy: 1.2338262572862604
Energy: 1.2327108102175568
Energy: 1.2358376246356362
Energy: 1.3582166883244693
Energy: 1.3573027652742333
Energy: 1.355484123892079
Energy: 1.354771885979027
Energy: 1.3514611312950715
Energy: 1.233669243944945
Energy: 1.2323470823669758
Energy: 1.2338575508190155
Energy: 1.352137675438002
Energy: 1.3544177070327348
Energy: 1.2432644063131173
Energy: 1.2323029773315932
Energy: 1.3537006992793579
Energy: 1.2428752996090044
Energy: 1.2393826481521601
Energy: 1.3555784601987415
Energy: 1.3647085644165595
Energy: 1.236800547342093
Energy: 1.238880088312026
Energy: 1.2354402350816405
Energy: 1.1351095760792567
Energy: 1.5321345648836309
Energy: 1.2332598746546724
Energy: 1.3541982430165362
Energy: 1.2173661736268273
Energy: 1.2322860672052844
Energy: 1.232916491570818
Energy: 1.2332930766566794
Energy: 1.358727026052017
Energy: 1.3502353325524874
Energy: 1.137967935132239
Energy: 1.236830972616271
Energy: 1.3575798784390223
Energy: 1.2343654518838094
Energy: 1.239403592853609
Energy: 1.353743600307613
Energy: 1.3646724955963376
Energy: 1.2395098658220363
Energy: 1.2374859763559187
Energy: 1.240225938868039
Energy: 1.3534494030508617
Energy: 1.3663755107692201
Energy: 1.1367852937777359
Energy: 1.3550322820874803
Energy: 1.3530198884992999
Energy: 1.3501190643862468
Energy: 1.2319671848560592
Energy: 1.2335921213162904
Energy: 1.2343935856677148
Energy: 1.361860522313419
Energy: 1.3516372686736793
Energy: 1.2332662156787235

minimum gb energy = 1.1351095760792567 eV
minimum distance =  2.38166314113184 Angstroms
sigma value = 15


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

Energy: 2.3667301767220845
Energy: 1.329933572893986
Energy: 1.34718047721724
Energy: 1.3353097554994866
Energy: 1.3413137476070545
Energy: 1.432348431324564
Energy: 1.3241180845245868
Energy: 1.32293975332054
Energy: 1.3615821516033733
Energy: 1.3567035368189158
Energy: 1.4097434125162864
Energy: 1.3320775415052184
Energy: 1.3658493424050773
Energy: 1.356140187095464
Energy: 1.3248082530131176
Energy: 1.3521182676523653
Energy: 1.3346847164111537
Energy: 1.3214398421249236
Energy: 1.3265520713065648
Energy: 1.4297240118730399
Energy: 1.334354714580124
Energy: 1.3801516124551434
Energy: 1.384168465493586
Energy: 1.332081873483587
Energy: 1.3367602846866666
Energy: 1.3573095159935995
Energy: 1.3245205590138416
Energy: 1.3309937501529858
Energy: 1.354891014899681
Energy: 1.3367866304152531
Energy: 1.3261268504860915
Energy: 1.3810829771042605
Energy: 1.3299990540586133
Energy: 1.3413397920371493
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Energy: 1.338972564184351
Energy: 1.4636326045336985
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Energy: 1.3301889151344788
Energy: 1.3439572471483034
Energy: 1.3379676015751574
Energy: 1.3236912820519922
Energy: 1.3672513362566732
Energy: 1.3594525204800605
Energy: 1.4260639371322497
Energy: 1.336326957290136
Energy: 1.3829780592235301
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Energy: 1.3357540626669857
Energy: 1.42976153940825
Energy: 1.3497161529173878
Energy: 1.3337694976130017
Energy: 1.3636705060782162
Energy: 1.351004099933492
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Energy: 1.3865638158354452
Energy: 1.3812638455637545
Energy: 1.4055818089811236
Energy: 1.4010705708709887
Energy: 1.3998283545644459
Energy: 1.3370189572820388
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Energy: 1.3539459269319027
Energy: 1.3839319137681032
Energy: 1.3835390635231344
Energy: 1.3845293478354013
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Energy: 1.351203399243021
Energy: 1.348630458008527
Energy: 1.340874699003414
Energy: 1.4300297444616987
Energy: 1.4003232281637994
Energy: 1.387975734569675
Energy: 1.3905150564405167
Energy: 1.3808377227228716
Energy: 1.4058681940427964
Energy: 1.333660189282948
Energy: 1.382680454221598
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Energy: 1.353129631288283
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Energy: 1.4459109976536764
Energy: 1.386519659233401
Energy: 1.3637860427030446
Energy: 1.3334783520875921
Energy: 1.3438487141436772
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Energy: 1.3855434116797807
Energy: 1.3511489219526869
Energy: 1.48280119747613
Energy: 1.3230770761326012
Energy: 1.367044063587577
Energy: 1.4089400731409607
Energy: 1.3274882224392428
Energy: 1.34079194154979
Energy: 1.3817483758884013
Energy: 1.3792118029691738
Energy: 1.382617651475892
Energy: 1.3245784792896327
Energy: 1.3691222324506764
Energy: 1.3218997729733162
Energy: 1.4575229653988802
Energy: 1.430437425402005
Energy: 1.44702358267031
Energy: 1.444182854220201
Energy: 1.3345915857980342
Energy: 1.3315970804432575
Energy: 1.3691855627985081
Energy: 1.3597852442623863
Energy: 1.3244104638157743
Energy: 1.3333985886891604
Energy: 1.3668162046433754
Energy: 1.326211033804149
Energy: 1.33118599546011
Energy: 1.3798114202960343
Energy: 1.3439291810197984
Energy: 1.33217511085091
Energy: 1.3240624645423216
Energy: 1.3524146442208698
Energy: 1.338831159455304
Energy: 1.3138047049440265
Energy: 1.369272271743657
Energy: 1.378932667037913
Energy: 1.321665382951146
Energy: 1.4276409742180203
Energy: 1.325508328239868
Energy: 1.3203570758037693
Energy: 1.3339141500524305
Energy: 1.3500957486840912
Energy: 1.3261618305466993
Energy: 1.341486958216916
Energy: 1.338946109056642
Energy: 1.3575954646006028
Energy: 1.4236882161782196
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Energy: 1.3520874691638314
Energy: 1.3236575318610104
Energy: 1.3297417891338286
Energy: 1.379182922953553
Energy: 1.341605389231962
Energy: 1.3363981423771594
Energy: 1.3373193789318616
Energy: 1.3897577941734873
Energy: 1.377658445200736
Energy: 1.3809949271974464
Energy: 1.324424966191121
Energy: 1.3284312594894183
Energy: 1.3228878013538736
Energy: 1.3759666488703843
Energy: 1.3339923422904896
Energy: 1.3389741380095959
Energy: 1.3349254214279798
Energy: 1.4042987490407521
Energy: 1.4525518302716545
Energy: 1.4285262012779503
Energy: 1.3267940211353069
Energy: 1.3323354519505681
Energy: 1.3233974517600942
Energy: 1.4046914428227004
Energy: 1.341813351444484
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Energy: 1.327467156251421
Energy: 1.4414950272114568
Energy: 1.3292644887695677
Energy: 1.3803270944064518
Energy: 1.3547437819097612
Energy: 1.3338193232653688
Energy: 1.3732169295031686
Energy: 1.377300829880465
Energy: 1.3716694222203265
Energy: 1.4337106335713308
Energy: 1.3805155653286554
Energy: 1.343946345165139
Energy: 1.3420969251805206
Energy: 1.379637617675518
Energy: 1.3302702712611578
Energy: 1.4502445453064443
Energy: 1.3741801883748173
Energy: 1.4285394186244351
Energy: 1.395090017395451
Energy: 1.4295991871187668
Energy: 1.386597057626114
Energy: 1.334278586457781
Energy: 1.3265547853423367
Energy: 1.3268091233027073
Energy: 1.4311241672807504
Energy: 1.4303188112721918
Energy: 1.3774968044774196
Energy: 1.3965399240813292
Energy: 1.3796621941556082
Energy: 1.482880013315042
Energy: 1.3293463242377672
Energy: 1.4128484815348592
Energy: 1.417832899392201
Energy: 1.3321251112561947
Energy: 1.37308371271729
Energy: 1.3857867912611688
Energy: 1.3936803833684621
Energy: 1.4285401514669767
Energy: 1.3766791351284597
Energy: 1.3354461127446757
Energy: 1.3561404496092238
Energy: 1.4237795458062656
Energy: 1.3291364230626765
Energy: 1.4249343653176891
Energy: 1.3667694645372548
Energy: 1.3598517402105383
Energy: 1.4311670383535597
Energy: 1.3760099602375122
Energy: 1.4021305896335992
Energy: 1.323435786981442
Energy: 1.3256223648965018
Energy: 1.3310281823127712
Energy: 1.42642605999557
Energy: 1.3881448857083099
Energy: 1.4341032512167782
Energy: 1.3335460299875546
Energy: 1.332249084723739
Energy: 1.3364772867787587
Energy: 1.3747704700412469
Energy: 1.3235084521174223
Energy: 1.3229085729807455
Energy: 1.3675086090818236
Energy: 1.393954844299584
Energy: 1.347435623769944
Energy: 1.3860866631849846
Energy: 1.3361123746114936
Energy: 1.3296025837358136
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Energy: 1.418833566823492
Energy: 1.3275920067893223
Energy: 1.3225567965972225
Energy: 1.3228441347198536
Energy: 1.3181957841729055
Energy: 1.360213118479348
Energy: 1.3864408779401303
Energy: 1.3377043157353472
Energy: 1.3364159082576867
Energy: 1.3438609733585136
Energy: 1.3532276622711465
Energy: 1.3531649896715654
Energy: 1.3217143078343665
Energy: 1.3257425012654294
Energy: 1.3814703438551421
Energy: 1.310893148533244
Energy: 1.4302906069944077
Energy: 1.3678363151219368
Energy: 1.3222126043534703
Energy: 1.3258056555894304
Energy: 1.3600434745290824
Energy: 1.3222758486872093
Energy: 1.3417015851861924
Energy: 1.3444260479432404
Energy: 1.3804302322685045
Energy: 1.3319126005227815
Energy: 1.3314059451504794
Energy: 1.4147405133446445
Energy: 1.3324511676353195
Energy: 1.340327021900059
Energy: 1.3564209048899958
Energy: 1.3267021569159991
Energy: 1.3269270396374004
Energy: 1.3143838940091743
Energy: 1.3824228078691707
Energy: 1.3823966157052034
Energy: 1.4233882268693223
Energy: 1.339202208639057
Energy: 1.322707572638753
Energy: 1.3242834358821014
Energy: 1.3582803506789078
Energy: 1.4476664436548403
Energy: 1.3377705174565004
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Energy: 1.3412871170572984
Energy: 1.3239569123232922
Energy: 1.4329655086338737
Energy: 1.4039949856016747
Energy: 1.3287607232371492
Energy: 1.3684796285737966
Energy: 1.3557494996064423
Energy: 1.3885454187811852
Energy: 1.3850412444240237
Energy: 1.3837076825445416
Energy: 1.3800254912572871
Energy: 1.3365413539963837
Energy: 1.4286617986571815
Energy: 1.381318462082816
Energy: 1.4479872887671739
Energy: 1.44725626848144
Energy: 1.358035961024549
Energy: 1.4470617032290547
Energy: 1.384008904269689
Energy: 1.3806987368543693
Energy: 1.3966779148066575
Energy: 1.3539071702402676
Energy: 1.3281717791018541
Energy: 1.3862387044484548
Energy: 1.335331240152421
Energy: 1.4308675638663015
Energy: 1.3897906821782213
Energy: 1.3869292626928962
Energy: 1.3854937358424393
Energy: 1.378393790010141
Energy: 1.3832337615108836
Energy: 1.3530630947224849
Energy: 1.3474805790074893
Energy: 1.3765631416595796
Energy: 1.3400557171370349
Energy: 1.4155948547936792
Energy: 1.381480470155829
Energy: 1.3836316512968336
Energy: 1.3882506614429397
Energy: 1.3855913994798907
Energy: 1.4291471959681175
Energy: 1.333490319289451
Energy: 1.3900159583958691
Energy: 1.3993694419677076
Energy: 1.3810556107996306
Energy: 1.4291404685957527
Energy: 1.3879808616744311
Energy: 1.3846903513651032
Energy: 1.3842921168922686
Energy: 1.3492784929663495
Energy: 1.3692098156378245
Energy: 1.3350008536965683
Energy: 1.3789658003906595
Energy: 1.421883082747127
Energy: 1.3374178242699897
Energy: 1.3807253587681791
Energy: 1.4049489880515453
Energy: 1.335654679751216
Energy: 1.4270010566327151
Energy: 1.357986018624446
Energy: 1.3693596763053455
Energy: 1.3313114353107494
Energy: 1.3641485471116257
Energy: 1.384552531014769
Energy: 1.3295119336727013
Energy: 1.3407115139564076
Energy: 1.3337610981100414
Energy: 1.4455589693611468
Energy: 1.3371946642200787
Energy: 1.3546851176889683
Energy: 1.3236019918916253
Energy: 1.3219496464040403
Energy: 1.3839520802167347
Energy: 1.3778922561795615
Energy: 1.3292807595481806
Energy: 1.3726086707529603
Energy: 1.3812625989667993
Energy: 1.3294266730409812
Energy: 1.3235970050060968
Energy: 1.3256568741684887
Energy: 1.3923003680277457
Energy: 1.3363503081238428
Energy: 1.415124790257101
Energy: 1.3264804643891783
Energy: 1.3330790543922226
Energy: 1.3378691961804208
Energy: 1.3411980314673775
Energy: 1.3225342427582887
Energy: 1.341945487561756
Energy: 1.3292804091985588
Energy: 1.3248148970887497
Energy: 1.3139452042990079
Energy: 1.3670772530656428
Energy: 1.3267060404552784
Energy: 1.34456064784616
Energy: 1.4307791156897136
Energy: 1.3485426542832413
Energy: 1.3227399453349564
Energy: 1.3289816833094557
Energy: 1.4278694180251381
Energy: 1.36726654991127
Energy: 1.334769659031882
Energy: 1.3449515419268032
Energy: 1.328988191187839
Energy: 1.3232340825753452
Energy: 1.3338879738614577
Energy: 1.3248061795246169
Energy: 1.3258306658192627
Energy: 1.3227595745169682
Energy: 1.3771557030243653
Energy: 1.3753228212108926
Energy: 1.3316575749792838
Energy: 1.3376041550598716
Energy: 1.3904316373503702
Energy: 1.3538249911472555
Energy: 1.3953533461722338
Energy: 1.327231699707375
Energy: 1.3341158653708984
Energy: 1.3275381465855824
Energy: 1.3979866187487524
Energy: 1.3414788915339793
Energy: 1.3433040501764428
Energy: 1.3329224183675035
Energy: 1.3898895334313588
Energy: 1.3339430762580482
Energy: 1.4547354617606234
Energy: 1.380234123598925
Energy: 1.360387552335647
Energy: 1.3332881362388866
Energy: 1.3730122704280958
Energy: 1.4062787109254984
Energy: 1.4767875475098473
Energy: 1.3273849059793235
Energy: 1.3359842508553241
Energy: 1.4305811801056232
Energy: 1.3880550120279933
Energy: 1.378253503690007
Energy: 1.3386963955767561
Energy: 1.361070953329447
Energy: 1.3762060623625452
Energy: 1.43399276127273
Energy: 1.4326291225143248
Energy: 1.43310130324069
Energy: 1.3670130221605932
Energy: 1.3319694646489693
Energy: 1.380807368353117
Energy: 1.3229899981624558
Energy: 1.431399723245012
Energy: 1.4325303992121947
Energy: 1.3822170642995022
Energy: 1.3977852447714516
Energy: 1.3759846316053659
Energy: 1.4292116055140849
Energy: 1.432096326660773
Energy: 1.3359187678857045
Energy: 1.4892195653787643
Energy: 1.3446400910407603
Energy: 1.3730749316801234
Energy: 1.3882828844756196
Energy: 1.386537661431077
Energy: 1.4305338558897824
Energy: 1.3807511966758275
Energy: 1.4298219058331683
Energy: 1.4305138995417659
Energy: 1.3522815768734038
Energy: 1.3295961364879954
Energy: 1.36338002381358
Energy: 1.3237718033875394
Energy: 1.3505743547934177
Energy: 1.4312988646791176
Energy: 1.4277111518053607
Energy: 1.3747791453498217
Energy: 1.3375238924458295
Energy: 1.3359167496970665
Energy: 1.4062556912762108
Energy: 1.3561046011697184
Energy: 1.436962501849914
Energy: 1.3443635897869028
Energy: 1.3362839503053467
Energy: 1.3331025022300167
Energy: 1.3375747410412016
Energy: 1.4103853764714664
Energy: 1.337037443267822
Energy: 1.3310970794598114
Energy: 1.3264502642229459
Energy: 1.4294004181990665
Energy: 1.332410714120263
Energy: 1.3839807163170366
Energy: 1.3328863155450776
Energy: 1.3380471870113892
Energy: 1.335452404806231
Energy: 1.384356297030653
Energy: 1.3224961839260347
Energy: 1.3356815597180292
Energy: 1.4193434777268508
Energy: 1.381371650373389
Energy: 1.3541200564399263
Energy: 1.3527306419039995
Energy: 1.3378637254013601
Energy: 1.3352777430988323
Energy: 1.3407616010233137
Energy: 1.3710172302005361
Energy: 1.329964426646192
Energy: 1.3238196871358863
Energy: 1.3585417758562512
Energy: 1.3164064066786247

minimum gb energy = 1.3082642976071948 eV
minimum distance =  2.3341008487836 Angstroms
sigma value = 437


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

Energy: 1.3764167533445004
Energy: 1.302298094605727
Energy: 1.296684282043105
Energy: 1.3035506982531242
Energy: 1.3635476610886035
Energy: 1.3136618280071146
Energy: 1.307251239074616
Energy: 1.3040920781633147
Energy: 1.2756364773465823
Energy: 1.272346080301154
Energy: 1.3207511939461882
Energy: 1.3165871798780873
Energy: 1.3143535078084598
Energy: 1.3072522138072844
Energy: 1.2973997830226291
Energy: 1.3027452982076053
Energy: 1.277386430181317
Energy: 1.2813927414363242
Energy: 1.2748499345599313
Energy: 1.318868418259494
Energy: 1.316186064876003
Energy: 1.291363104693841
Energy: 1.330251713240214
Energy: 1.323892693598466
Energy: 1.3013329579109847
Energy: 1.2752024512431133
Energy: 1.2755369556080984
Energy: 1.3068051235013243
Energy: 1.3045327971907854
Energy: 1.3210168029844411
Energy: 1.3184237618834638
Energy: 1.3086745454705235
Energy: 1.3077088782748405
Energy: 1.2775409424163073
Energy: 1.2727992737832992
Energy: 1.3102338919488286
Energy: 1.3147934152594936
Energy: 1.32870024412436
Energy: 1.2859161585686896
Energy: 1.299357470089072
Energy: 1.297803169795619
Energy: 1.3584412265358163
Energy: 1.296667635366733
Energy: 1.334514369227337
Energy: 1.313711958678176
Energy: 1.3072075676385921
Energy: 1.3265505380309641
Energy: 1.329496669579081
Energy: 1.3084315951273158
Energy: 1.3059390314164654
Energy: 1.298058364286517
Energy: 1.3299112068716865
Energy: 1.2919440630044146
Energy: 1.3160900077821802
Energy: 1.3237742574899418
Energy: 1.3031414224388524
Energy: 1.3008601368576072
Energy: 1.3105317614493888
Energy: 1.3251000303809453
Energy: 1.292555113011693
Energy: 1.295817210739973
Energy: 1.2751394993003062
Energy: 1.2972626154018125
Energy: 1.314062632976707
Energy: 1.3265986497731448
Energy: 1.3055908802128164
Energy: 1.3084849215679837
Energy: 1.3074447508385165
Energy: 1.3164235697058864
Energy: 1.3634710522541824
Energy: 1.289234369045381
Energy: 1.3074059152855202
Energy: 1.3318756366226856
Energy: 1.3079396259968699
Energy: 1.3110119202827202
Energy: 1.31470454510924
Energy: 1.3116962422161107
Energy: 1.2743479530557524
Energy: 1.2743792546454247
Energy: 1.2779246764819778
Energy: 1.2823198454743883
Energy: 1.298637250705656
Energy: 1.3645114648727112
Energy: 1.308437043860431
Energy: 1.2991550013930704
Energy: 1.302778172072112
Energy: 1.2759800695538066
Energy: 1.3227664064293283
Energy: 1.293686305019658
Energy: 1.3288195481439782
Energy: 1.3161488951562248
Energy: 1.300796668035156
Energy: 1.3132344758786885
Energy: 1.299886990969526
Energy: 1.273556013090837
Energy: 1.2756287682971026
Energy: 1.2757530054291846
Energy: 1.305622341273424
Energy: 1.2708490913846149
Energy: 1.362160639820464
Energy: 1.3049269078754413
Energy: 1.3517165575289063
Energy: 1.362762950323462
Energy: 1.2768076087782094
Energy: 1.2739209756793555
Energy: 1.305330355434203
Energy: 1.313244536413504
Energy: 1.3633880109618122
Energy: 1.2725378885161915
Energy: 1.317320196067315
Energy: 1.2976721956454307
Energy: 1.3162435388533251
Energy: 1.300042824485922
Energy: 1.3186873650988025
Energy: 1.313185495040913
Energy: 1.301781729774638
Energy: 1.2778781508283519
Energy: 1.3116768439239297
Energy: 1.3124498964854243
Energy: 1.3032380572304536
Energy: 1.2761970128834312
Energy: 1.3322044057049793
Energy: 1.2993943704715651
Energy: 1.3339472213773271
Energy: 1.3138525206484208
Energy: 1.3033214253082681
Energy: 1.3016347182251256
Energy: 1.307289591112257
Energy: 1.3156768605942775
Energy: 1.2996003870773227
Energy: 1.3055757702037782
Energy: 1.3004169919226152
Energy: 1.2975139159445819
Energy: 1.3063514265800868
Energy: 1.315814862543499
Energy: 1.364323687072589
Energy: 1.3079255894461563
Energy: 1.3020292969538247
Energy: 1.332606048750813
Energy: 1.2734334581923854

minimum gb energy = 1.2708490913846149 eV
minimum distance =  2.32960826623095 Angstroms
sigma value = 33