Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003Potential5_Fe__MO_942420706858_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855258293449879
cohesive_energy=4.134425479783591
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=[1.7453631597805798e-19, 2.4881002037703e-19, 3.0979046524370396e-19, 3.65185722364254e-19, 4.10527321106454e-19, 4.46632371553644e-19, 4.75586907683292e-19, 4.99666020315678e-19, 5.20914086835786e-19, 5.4047826571356e-19, 5.5863893785995e-19, 5.75346435799302e-19, 5.905110376401119e-19, 6.040702584936539e-19, 6.16035313596366e-19, 6.26460676953804e-19, 6.354152421612299e-19, 6.429695049905399e-19, 6.491859503304599e-19, 6.54130267422984e-19, 6.57860134626936e-19, 6.60426821594604e-19, 6.618944153913479e-19, 6.623558422619399e-19, 6.6188320015491e-19, 6.6040919765163e-19, 6.57842510683962e-19, 6.540693847108919e-19, 6.48939215128824e-19, 6.42242116798704e-19, 6.337409675786999e-19, 6.2316660179429995e-19, 6.10224218944848e-19, 5.94492446575602e-19, 5.75348037975936e-19, 5.521901769080999e-19, 5.24253022941042e-19, 4.90096219280796e-19, 4.4723158561476e-19, 3.9274796699895597e-19, 3.17769304881024e-19, 1.8924910400808e-19, -4.39230315504564e-20, -4.54656072136716e-19, -1.086741991252494e-18, -1.9495926153165598e-18, -3.1136059834502397e-18, -4.6934162316396e-18, -6.942055115692259e-18, -1.0137980934597419e-17, -1.4493530157659098e-17, -2.03955483331566e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.014458292951249648
Energy: 0.01847755792556758
Energy: 0.09159345319503776
Energy: 0.09241262813927828
Energy: 0.10623751026744406
Energy: 0.09069875431113322
Energy: 0.10530362563435872
Energy: 0.09151916949782425
Energy: 0.09276244660668102
Energy: 0.017098051624093533
Energy: 0.014788577082867143
Energy: 0.09060575607399851
Energy: 0.10428379394993284
Energy: 0.015288549556806938
Energy: 0.015703042556902785
Energy: 0.09120434325706467
Energy: 0.09112502197814865
Energy: 0.1055087660152553
Energy: 0.09046034499929773
Energy: 0.10567942633617468
Energy: 0.09150879091401892
Energy: 0.09068623273823039
Energy: 0.10370418381588185
Energy: 0.018058359986459587
Energy: 0.0926627948493051
Energy: 0.10400430485380505
Energy: 0.016756045359630534
Energy: 0.015000920494097916
Energy: 0.10405537618231145
Energy: 0.0915575187398627
Energy: 0.016047770013833874
Energy: 0.1055959601495836
Energy: 0.0907540860869943
Energy: 0.09086658439648265
Energy: 0.09375892296119508
Energy: 0.09093011365934604
Energy: 0.015386399741996052
Energy: 0.015106898749049271
Energy: 0.09091456161201758
Energy: 0.014770640665568576
Energy: 0.016541075086764934
Energy: 0.09334763370569284
Energy: 0.09134602250736742
Energy: 0.015726108836329605
Energy: 0.014567008016270403
Energy: 0.09063328655290474
Energy: 0.09286878668766967
Energy: 0.09178070630361687
Energy: 0.09074469401360953
Energy: 0.014490669765400288
Energy: 0.09114766746408037
Energy: 0.09301394122502822
Energy: 0.10577817657786957
Energy: 0.015141638037405154
Energy: 0.014744295010997357
Energy: 0.09141361546021763
Energy: 0.015197507358922687
Energy: 0.016177357487105748
Energy: 0.10444907366766491
Energy: 0.09105580297261655
Energy: 0.014737514329177696
Energy: 0.1043028056257977
Energy: 0.09054753229795995
Energy: 0.10431157377565467
Energy: 0.0908701970426499
Energy: 0.0924204546359582
Energy: 0.015106588015842092
Energy: 0.01650476441762709
Energy: 0.10410019932350748
Energy: 0.0914235598346047

minimum gb energy = 0.014458292951249648 eV
minimum distance =  2.47100536778056 Angstroms
sigma value = 3


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

Energy: 1.7098936961313946
Energy: 1.4272627808709624
Energy: 1.3736755211599865
Energy: 1.3143198582643403
Energy: 1.3927019101910392
Energy: 1.3762042878754923
Energy: 1.3911165183922742
Energy: 1.379630543768874
Energy: 1.3733404571467787
Energy: 1.516108922492809
Energy: 1.3163846296630426
Energy: 1.3923811308390186
Energy: 1.4103314911686076
Energy: 1.3468476695557947
Energy: 1.378132737920387
Energy: 1.372298120502343
Energy: 1.390528511144907
Energy: 1.413684322795384
Energy: 1.3510129219248723
Energy: 1.3927962592171494
Energy: 1.428876003637866
Energy: 1.3175986619719673
Energy: 1.3965549008216807
Energy: 1.3749192178197502
Energy: 1.434520209016491
Energy: 1.3984901845400368
Energy: 1.3467235453922592
Energy: 1.3023743825372547
Energy: 1.3832444863870226
Energy: 1.37227664394698
Energy: 1.451185192809802
Energy: 1.307764528666421
Energy: 1.3817989738622416
Energy: 1.3595177788032462
Energy: 1.3428728932616767
Energy: 1.3826310409594404
Energy: 1.3978398884458179
Energy: 1.4539689994761678
Energy: 1.305821751731468
Energy: 1.5261024090684339
Energy: 1.4512433997906142
Energy: 1.3525863643517928
Energy: 1.5900008222091446
Energy: 1.4530170710596142
Energy: 1.3160102916804663
Energy: 1.4004469707074767
Energy: 1.407630425882584
Energy: 1.3727028864249156
Energy: 1.3522550109523002
Energy: 1.3188872290669742
Energy: 1.4463699135564485
Energy: 1.3526542928597634
Energy: 1.315699322945062
Energy: 1.3148734032409497
Energy: 1.6100873456451161
Energy: 1.3566609082305383
Energy: 1.496394037278299
Energy: 1.3041748895549568
Energy: 1.36498807310536
Energy: 1.3286794681881975
Energy: 1.3961478262376177
Energy: 1.3521861239118136
Energy: 1.2989668647555577
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Energy: 1.403067134602372
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Energy: 1.5246883137237932
Energy: 1.3632767325581747
Energy: 1.3827856762736501
Energy: 1.4606329818361643
Energy: 1.426174259070691
Energy: 1.3277571041556175
Energy: 1.3273126092174146
Energy: 1.33064335266656
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Energy: 1.3050531017275953
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Energy: 1.2953631170638096
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Energy: 1.3544319556767526
Energy: 1.3854297865418326
Energy: 1.3861774472470145
Energy: 1.394735081968253
Energy: 1.4407487912572559
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Energy: 1.3873801727359643
Energy: 1.2952012781671078
Energy: 1.358235568547034
Energy: 1.381567529625592
Energy: 1.3907226651269573
Energy: 1.3926088163190604
Energy: 1.373219804378417
Energy: 1.378450591305992
Energy: 1.4148718156318785
Energy: 1.3508690422580274
Energy: 1.3977295396834886
Energy: 1.5123578743292123
Energy: 1.365399191756509
Energy: 1.3056193478093012
Energy: 1.7342142753653902
Energy: 1.378033224105204
Energy: 1.379358796100474
Energy: 1.5147198210382742
Energy: 1.3174095834464032
Energy: 1.396533895202339
Energy: 1.374080141045841
Energy: 1.3614500201829984
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Energy: 1.3966420194824474
Energy: 1.4076870602751632
Energy: 1.3647853921880913
Energy: 1.382682358241685
Energy: 1.3174582581526064
Energy: 1.4548340591768776
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Energy: 1.3505386389157734
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Energy: 1.3821940745973533
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Energy: 1.3751212272387046
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Energy: 1.3530806195686178
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Energy: 1.4519154482683654
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Energy: 1.5897605299288529
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Energy: 1.3159787753982373
Energy: 1.345967184274005
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Energy: 1.3039835467764653
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Energy: 1.35062428727103
Energy: 1.2947551257363519
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Energy: 1.3939865307218302
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Energy: 1.3028355738893422
Energy: 1.4039009239284639
Energy: 1.2981719098975035
Energy: 1.2961656773917105
Energy: 1.3957957496987172
Energy: 1.296179342764455
Energy: 1.3273629658079868
Energy: 1.329425369818645
Energy: 1.3521344026041107
Energy: 1.3552245122976534
Energy: 1.3280654344076042
Energy: 1.4372230040904663
Energy: 1.3942679491420866
Energy: 1.295758766418324
Energy: 1.363807022630946
Energy: 1.4044591695807294
Energy: 1.3161058034620856
Energy: 1.328264467190926
Energy: 1.2952046680908573
Energy: 1.324826001255274
Energy: 1.31437115879984
Energy: 1.2994096209415407
Energy: 1.2957114492367432
Energy: 1.397834166554738
Energy: 1.3671568681651662
Energy: 1.524577345377934
Energy: 1.298059100189056
Energy: 1.3040637747106323
Energy: 1.3782027111535995
Energy: 1.3990580605513385
Energy: 1.2967015788871266
Energy: 1.3537773477535415
Energy: 1.3862875074567262
Energy: 1.3520209021614293
Energy: 1.3604143107183213
Energy: 1.3028794191014157
Energy: 1.5101002468539924
Energy: 1.305095467387909
Energy: 1.4660855498031016
Energy: 1.5531282120598437
Energy: 1.3506173730601654
Energy: 1.3503738681447233
Energy: 1.3540720935789436
Energy: 1.3288018266747157
Energy: 1.351902585102828
Energy: 1.330971910430954
Energy: 1.4450333202262367
Energy: 1.3996192702608095
Energy: 1.3509509130164081
Energy: 1.4535268421002365
Energy: 1.5171517810064055
Energy: 1.384136931658682
Energy: 1.5505193107962703
Energy: 1.2922303348147781
Energy: 1.3707659014078464
Energy: 1.3721862644984695
Energy: 1.3670487175442432
Energy: 1.3351221808174978
Energy: 1.3340365915263293
Energy: 1.3956286000095053
Energy: 1.378808933551323
Energy: 1.3189453100835404
Energy: 1.357179313164264
Energy: 1.3340484729647386
Energy: 1.303975269541338
Energy: 1.6219543577466304
Energy: 1.293117321042896
Energy: 1.3972425269676754
Energy: 1.3471257476910101
Energy: 1.6221972323565481
Energy: 1.396127871947078
Energy: 1.3733294129706342
Energy: 1.3564373620239438
Energy: 1.3911271442584046
Energy: 1.3189795891789737
Energy: 1.3946646385742743
Energy: 1.559270585417827
Energy: 1.424887788542029
Energy: 1.3495205010870293

minimum gb energy = 1.2922303348147781 eV
minimum distance =  2.19341038911623 Angstroms
sigma value = 75


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

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Energy: 1.4115646827838138
Energy: 1.4385771240282939
Energy: 1.5002675703771746
Energy: 1.4539503487132193
Energy: 1.4044897594059509
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Energy: 1.4251989923223622
Energy: 1.4489707304117347
Energy: 1.449919197065084
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Energy: 1.3977192727179801
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Energy: 1.4922751139355193
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Energy: 1.4747494957290868
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Energy: 1.393405681630547
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Energy: 1.4089769003981438
Energy: 1.3884559220340271
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Energy: 1.4099404641829603
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Energy: 1.45561961018272
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Energy: 1.3819323704130373
Energy: 1.4368381536754227
Energy: 1.4128881834431342
Energy: 1.4284981227239715
Energy: 1.4748970151903003
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Energy: 1.408016303511908
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Energy: 1.4104426280624585
Energy: 1.5175384532683485
Energy: 1.4603203564610976
Energy: 1.442224260856658
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minimum gb energy = 1.3737158343817757 eV
minimum distance =  2.20227595494961 Angstroms
sigma value = 105


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

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Energy: 1.450609031249196
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Energy: 1.4221508573995554
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Energy: 1.4124479566059556
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Energy: 1.5579114389340096
Energy: 1.487442855981433
Energy: 1.409790595182933
Energy: 1.433658487463114
Energy: 1.537273497870749
Energy: 1.4422242889834553
Energy: 1.5383094828727308
Energy: 1.5276496231270023
Energy: 1.514485753042771
Energy: 1.5451429838119861
Energy: 1.4256052975653701
Energy: 1.4271081663650318
Energy: 1.3993734066360373
Energy: 1.3953809644549535
Energy: 1.4440465913259761
Energy: 1.4908975321516007
Energy: 1.4334717371250216
Energy: 1.3891367606975895
Energy: 1.5245243275538103
Energy: 1.5230537110267062
Energy: 1.3952200895499425
Energy: 1.443093845260814
Energy: 1.3991420669542702
Energy: 1.4039760171815086
Energy: 1.4107247826735858
Energy: 1.4591085581336207
Energy: 1.439354633594712
Energy: 1.3898390803951324
Energy: 1.4115765440699681
Energy: 1.476886486704164
Energy: 1.4009589937906515
Energy: 1.4365345822898412
Energy: 1.4230268760880544
Energy: 1.4201801717876406
Energy: 1.3932140067983902
Energy: 1.3869842756725481
Energy: 1.4353011417611814
Energy: 1.4343587271410954
Energy: 1.4984584411276005
Energy: 1.4491299579616999
Energy: 1.4160643303629388
Energy: 1.4539406374062147
Energy: 1.5645592396874173
Energy: 1.3957325617037473
Energy: 1.3985508831074904
Energy: 1.3956676423022192
Energy: 1.4395370171268949
Energy: 1.4797950683749543
Energy: 1.412143683252014
Energy: 1.4159502338428238
Energy: 1.4932360669849973
Energy: 1.599713992018928
Energy: 1.6074300630178924
Energy: 1.3776389020915056
Energy: 1.4756460211328715
Energy: 1.4038294337414359
Energy: 1.6226190685189417
Energy: 1.4252229458492687
Energy: 1.4175798709519856
Energy: 1.4597692823374775
Energy: 1.518988429278087
Energy: 1.4781051102710916
Energy: 1.3930690953401716
Energy: 1.5553256495681649
Energy: 1.5584005644260348
Energy: 1.4046174634134716

minimum gb energy = 1.3382243663191828 eV
minimum distance =  2.21728530780381 Angstroms
sigma value = 165


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

Energy: 1.5747562141829978
Energy: 1.304178800423192
Energy: 1.3552842918964125
Energy: 1.3513406227539606
Energy: 1.407127846540398
Energy: 1.3500022151633977
Energy: 1.337484904067156
Energy: 1.3203971331573474
Energy: 1.3775737546308247
Energy: 1.3067018006625934
Energy: 1.390899677471153
Energy: 1.5772757416439467
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Energy: 1.326820654079261
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Energy: 1.3581182282377744
Energy: 1.3535730391194178
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Energy: 1.6067271095140594
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Energy: 1.6107024100542777
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Energy: 1.61109995351805
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Energy: 1.3546460214906502
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Energy: 1.3853796580311295
Energy: 1.359131070945295
Energy: 1.3405299471086152
Energy: 1.317401238069014
Energy: 1.6157959183947392
Energy: 1.3570642809746243
Energy: 1.338161754378401
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Energy: 1.4081027190826154
Energy: 1.3564550753604778
Energy: 1.3548426128291091
Energy: 1.3954797238101988
Energy: 1.356283417895363
Energy: 1.3345527770939873
Energy: 1.35055582709448
Energy: 1.3208022022749382
Energy: 1.390537848201196
Energy: 1.4061719727919193
Energy: 1.3638541643562128
Energy: 1.409866590336017
Energy: 1.405382207801907
Energy: 1.3674541690716286
Energy: 1.3482472915645933
Energy: 1.3361145213417165
Energy: 1.3436867895786906
Energy: 1.3242238694884831
Energy: 1.383605757231441
Energy: 1.3556800809075182
Energy: 1.3641017203342976
Energy: 1.4029682490747386
Energy: 1.3823337597984497
Energy: 1.3382768548622537
Energy: 1.3282362272155732
Energy: 1.332002728051022
Energy: 1.3657437703933968
Energy: 1.3346927449099744
Energy: 1.3676009145340116
Energy: 1.322035126111956
Energy: 1.4060638126021396
Energy: 1.4321412496637824
Energy: 1.6115888637656248
Energy: 1.3295254808699652
Energy: 1.3288434017063928
Energy: 1.3263651246066523
Energy: 1.391629689490977
Energy: 1.3816243377565538
Energy: 1.3525357912100293
Energy: 1.3642266590906256
Energy: 1.3369238748883945
Energy: 1.408128825764905
Energy: 1.377043053829854
Energy: 1.4508551814695763
Energy: 1.3773598451678875
Energy: 1.5784810760759136

minimum gb energy = 1.304178800423192 eV
minimum distance =  2.21089798432831 Angstroms
sigma value = 41


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

Energy: 2.6778461633000026
Energy: 1.1879470158802157
Energy: 1.3441079732292183
Energy: 1.2988671234378357
Energy: 1.350873292990947
Energy: 1.4196902169500858
Energy: 1.415645565964746
Energy: 1.4579743189604868
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Energy: 1.2773442975515643
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Energy: 1.4348943687093672
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Energy: 1.4157850294922891
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Energy: 1.3384823621562985
Energy: 1.349806946453316
Energy: 1.526600001770644
Energy: 1.424848845775595
Energy: 1.2360586081806257
Energy: 1.2624116774367542
Energy: 1.2833029921166554
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Energy: 1.4465133773740035
Energy: 1.435821459874256
Energy: 1.3735150380078567
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Energy: 1.3843903405067473
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Energy: 1.3945995224706438
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Energy: 1.3287626379324224
Energy: 1.354886319555397
Energy: 1.2721638013667875
Energy: 1.3325188290159904
Energy: 1.353284021440049
Energy: 1.3836341240610317
Energy: 1.386960988788001
Energy: 1.4327969462458383
Energy: 1.288538345011509
Energy: 1.2960482511292157
Energy: 1.2933834183477086
Energy: 1.2493962746243674
Energy: 1.301725706729509
Energy: 1.342959305375206
Energy: 1.2786084540710667
Energy: 1.3057639749552736
Energy: 1.32090356724964
Energy: 1.3843078859728555
Energy: 1.2884201817081513
Energy: 1.2921059638580157
Energy: 1.2348521807219686
Energy: 1.236198450932225
Energy: 1.3225712301934696
Energy: 1.2831963563229616
Energy: 1.3148794171587723
Energy: 1.2818994376231962
Energy: 1.281950040377318
Energy: 1.3209850097364992
Energy: 1.4165626937534967
Energy: 1.2776979741193428
Energy: 1.1594601793519117
Energy: 1.3791823757625843
Energy: 1.3590260232671778
Energy: 1.3998614684403128
Energy: 1.455300852005466
Energy: 1.4285462929767088
Energy: 1.3907718901335093
Energy: 1.3521672390328534
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Energy: 1.1601080526688938
Energy: 1.2780228495068007
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Energy: 1.372010884791497
Energy: 1.3658667986755273
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Energy: 1.2895991110249654
Energy: 1.4194715274055512
Energy: 1.3420899732617642
Energy: 1.2808473326423218
Energy: 1.2695560526851852
Energy: 1.3517573506579017
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Energy: 1.302546512625331
Energy: 1.2887856452567634
Energy: 1.4213792257604665
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Energy: 1.2798251825450535
Energy: 1.2784567403098264
Energy: 1.3540078531166262
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Energy: 1.2983487000938003
Energy: 1.3001473434643425
Energy: 1.2885806682140846
Energy: 1.2287564720131747
Energy: 1.230472246002895
Energy: 1.2317558761024026
Energy: 1.2979216250030607
Energy: 1.399807999019867
Energy: 1.3876088399419657
Energy: 1.4463220549743474
Energy: 1.379956692820449
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Energy: 1.252709863877361
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Energy: 1.2492441933165288
Energy: 1.3484616981268112
Energy: 1.3021549691198908
Energy: 1.2918391659899566
Energy: 1.3867584092342862
Energy: 1.3701234249589258
Energy: 1.3456223321022927
Energy: 1.2496660196927878
Energy: 1.3726873051133752
Energy: 1.3641653647572671
Energy: 1.272638472466983
Energy: 1.273024224127864
Energy: 1.3797368662078673
Energy: 1.4013190482585016
Energy: 1.4033532342897437
Energy: 1.2853017302920693
Energy: 1.2775552176177964
Energy: 1.2367629508973788
Energy: 1.3864832667244762
Energy: 1.3719434295352813
Energy: 1.2805081630337014
Energy: 1.3202297121896451
Energy: 1.3562999475904074
Energy: 1.3947623989192084
Energy: 1.3716130467023042
Energy: 1.3334892371680778
Energy: 1.2770953197803478
Energy: 1.3717937864388237
Energy: 1.448535482613066
Energy: 1.2782580369752727
Energy: 1.3554992984350764
Energy: 1.3595261020537124
Energy: 1.352061275562502
Energy: 1.4539220056960926
Energy: 1.234414925017436
Energy: 1.231529103705897
Energy: 1.3317614573022816
Energy: 1.397206832363115
Energy: 1.2838267835334571
Energy: 1.2737297665195695
Energy: 1.2697527058627684
Energy: 1.2911800793406705
Energy: 1.3702798180923734
Energy: 1.4552403895502874
Energy: 1.3847617078370615
Energy: 1.291055643483972
Energy: 1.2736210307140345
Energy: 1.2811914278535919
Energy: 1.2878189695225906
Energy: 1.2680658482565046
Energy: 1.2637897458863836
Energy: 1.2715424292680018
Energy: 1.3592241982585498
Energy: 1.4161964230987567
Energy: 1.4022735950236798
Energy: 1.3974945890674606
Energy: 1.3290525241512376
Energy: 1.2726572718147695
Energy: 1.2836570956003586
Energy: 1.2700162050521766
Energy: 1.2699281593233949
Energy: 1.3596627742395209
Energy: 1.2930470296896197
Energy: 1.346475970389766
Energy: 1.322696740900877
Energy: 1.497461855060519
Energy: 1.377815260554343
Energy: 1.2734566959453613
Energy: 1.2822770514715263
Energy: 1.466554270461578
Energy: 1.3860394243830696
Energy: 1.375804730221335
Energy: 1.3238142716751002
Energy: 1.3038523376803879
Energy: 1.4549970700461736
Energy: 1.3223909211112528
Energy: 1.3475161902088688
Energy: 1.3336209352758797

minimum gb energy = 1.1594601793519117 eV
minimum distance =  2.19671376165582 Angstroms
sigma value = 185


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

Energy: 2.563106772396688
Energy: 1.3228373965734266
Energy: 1.4662172891206775
Energy: 1.3933181825893548
Energy: 1.4365610360583247
Energy: 1.5242252823459923
Energy: 1.5646721323106796
Energy: 1.491548590969799
Energy: 1.4564899632470325
Energy: 1.2385180259702193
Energy: 1.4765262851637302
Energy: 1.5750816123291471
Energy: 1.406765156437967
Energy: 1.2845515552343834
Energy: 1.2847567313249226
Energy: 1.3732970974664445
Energy: 1.5234167189548191
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Energy: 1.4415850522391187
Energy: 1.5470443484089564
Energy: 1.4902437113113394
Energy: 1.3796141544986482
Energy: 1.591869933543419
Energy: 1.342324472417192
Energy: 1.495169168299149
Energy: 1.294761879887587
Energy: 1.2976904877610298
Energy: 1.2967094274122024
Energy: 1.317451173378195
Energy: 1.3177124194461711
Energy: 1.4069414706151295
Energy: 1.416191368256258
Energy: 1.4212983553393503
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Energy: 1.5484654201854713
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Energy: 1.2942506491760561
Energy: 1.3177009477611532
Energy: 1.4483474969816357
Energy: 1.4225274296608896
Energy: 1.3259040377232085
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Energy: 1.2562495195644867
Energy: 1.286339394866701
Energy: 1.40748436608197
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Energy: 1.4777625724876466
Energy: 1.4790595497916597
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Energy: 1.4934819151285803
Energy: 1.4382746332051322
Energy: 1.4380625998134096
Energy: 1.4173612003515097
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Energy: 1.2937825213508825
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Energy: 1.4989949685542436
Energy: 1.2641529472849957
Energy: 1.3040397795969196
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Energy: 1.4266569854334403
Energy: 1.4915255245994825
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Energy: 1.5211803720712445
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Energy: 1.3137741959140363
Energy: 1.3187158205705576
Energy: 1.3764402814011805
Energy: 1.3791047323533718
Energy: 1.352821137654994
Energy: 1.348330924694213
Energy: 1.4994628487471409
Energy: 1.5553248348264626
Energy: 1.5688019608912016
Energy: 1.5064996646465512
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Energy: 1.3713648705984907
Energy: 1.4154206411135366
Energy: 1.3921022858541012
Energy: 1.3128845564027092
Energy: 1.2859961118719374
Energy: 1.2867275058535501
Energy: 1.4112595487258168
Energy: 1.4938698257514258
Energy: 1.4994365807355887
Energy: 1.5581171487394034
Energy: 1.4110740700172906
Energy: 1.3960567837591844
Energy: 1.4165887558970554
Energy: 1.5605593061056682
Energy: 1.5447388840024359
Energy: 1.492229078677704
Energy: 1.4598199997035104
Energy: 1.5347019167853801
Energy: 1.3198536325613552
Energy: 1.4518636233439866
Energy: 1.3891044077360815
Energy: 1.5028581724208652
Energy: 1.3636835109067398
Energy: 1.3119214214456494
Energy: 1.536905230248239
Energy: 1.5355128849526534
Energy: 1.5368006524486537
Energy: 1.495796965250216
Energy: 1.4851354246421953
Energy: 1.6019481877960853
Energy: 1.379867667409133
Energy: 1.4095148218517493
Energy: 1.604555507057088
Energy: 1.5706940131346727
Energy: 1.5335126578792995
Energy: 1.6282426072825893
Energy: 1.3157104605441505
Energy: 1.3132469808432243
Energy: 1.4868132199465034
Energy: 1.4340890460004576
Energy: 1.4068255622060053
Energy: 1.291530713497514
Energy: 1.4341195578631216
Energy: 1.5606772650552467
Energy: 1.5459650475264781
Energy: 1.5290752224323665
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Energy: 1.3153460275328814
Energy: 1.3457012241634234
Energy: 1.3861907104942934
Energy: 1.389507167593128
Energy: 1.308162372023733
Energy: 1.2868155524215998
Energy: 1.2867326459703663
Energy: 1.2399824339360235
Energy: 1.5494112752778557
Energy: 1.4509085487065172
Energy: 1.4460861891787289
Energy: 1.4151202551214626
Energy: 1.4073627632008707
Energy: 1.3738692710663305
Energy: 1.463189293863444
Energy: 1.5041751950188038
Energy: 1.4412230313698189
Energy: 1.282164841911351
Energy: 1.1979502010256058
Energy: 1.468822852500114
Energy: 1.5930596462619853
Energy: 1.554788737352116
Energy: 1.4313566472814025
Energy: 1.4096365434411253
Energy: 1.4775988982095096
Energy: 1.5546751821021387
Energy: 1.5645016854693052
Energy: 1.5587877648243786
Energy: 1.5618205615543226
Energy: 1.4675488767539173
Energy: 1.2785556785819157
Energy: 1.2655461887771686
Energy: 1.2836439256461531
Energy: 1.2382435568192947
Energy: 1.3002562584856672
Energy: 1.3234998455024944
Energy: 1.5442601019404878
Energy: 1.3157906785706222
Energy: 1.3105375551399265
Energy: 1.4825890327206268
Energy: 1.5542587559719518
Energy: 1.424986823540473
Energy: 1.5428423586478994
Energy: 1.2900981565940128
Energy: 1.55402965532948
Energy: 1.5484475479754114
Energy: 1.5588817979925231
Energy: 1.3149698491106179
Energy: 1.3004541554690885
Energy: 1.444098580127974
Energy: 1.378913078631074
Energy: 1.415983671635253
Energy: 1.4300627588214483
Energy: 1.4602853995004395
Energy: 1.4397126228343307
Energy: 1.4909842345587807
Energy: 1.5795871111906932
Energy: 1.4892080804412555
Energy: 1.4436601151802493
Energy: 1.3491297543174838
Energy: 1.4007778310635817
Energy: 1.349800935515316
Energy: 1.3413903750124008
Energy: 1.381181269690856
Energy: 1.2873408580171075
Energy: 1.3268700689019994
Energy: 1.4144457000744033
Energy: 1.4896064809237959
Energy: 1.4709907148384531
Energy: 1.5541053659198112
Energy: 1.4391580293719384
Energy: 1.4053070488783916
Energy: 1.3895073089017351
Energy: 1.2943234776073254
Energy: 1.5437331469373974
Energy: 1.4920953164512323
Energy: 1.460632054540126
Energy: 1.4828172800230501
Energy: 1.2782190317263744
Energy: 1.386160309102468
Energy: 1.4040021012017558
Energy: 1.4373994294652275
Energy: 1.5837848972000617
Energy: 1.5551542035029227
Energy: 1.5616821169149724
Energy: 1.5281179942713587
Energy: 1.4640807519995196
Energy: 1.4584687567208767
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Energy: 1.5717655400162123
Energy: 1.5092579695092372
Energy: 1.2846469528312143
Energy: 1.3390078910726777
Energy: 1.518170792411624
Energy: 1.5456844022426244
Energy: 1.322135197863972
Energy: 1.2949047263273847
Energy: 1.3105501235785588
Energy: 1.3466067491090163
Energy: 1.4460798828575836
Energy: 1.4201867675524174
Energy: 1.42267778105882
Energy: 1.5916937664764281
Energy: 1.5535925512862188
Energy: 1.5518118876704654
Energy: 1.4786840252214106
Energy: 1.3065010146299498
Energy: 1.316527033972147
Energy: 1.343904823640172
Energy: 1.4018426106367545
Energy: 1.3034476015853573
Energy: 1.292703341075296
Energy: 1.5100300673234053
Energy: 1.5420963492634732
Energy: 1.2879447946803004
Energy: 1.5244427349608602
Energy: 1.4681723101883837
Energy: 1.53274813053865
Energy: 1.4221273188171584
Energy: 1.4297910007438046
Energy: 1.3039352281568564
Energy: 1.3029375139904624
Energy: 1.2872267452388546
Energy: 1.2711905994668722
Energy: 1.2911769855804542
Energy: 1.1956422936033746
Energy: 1.4870453641219847
Energy: 1.4837305043425393
Energy: 1.5043651409466972
Energy: 1.4341615090231015
Energy: 1.4491591872545628
Energy: 1.4583397200359767
Energy: 1.55503942728675
Energy: 1.2581151545827844
Energy: 1.6376185591453543
Energy: 1.4948296420275147
Energy: 1.471339513676641
Energy: 1.334169635847206
Energy: 1.282502366805736
Energy: 1.2847423451009552
Energy: 1.2990101611126357
Energy: 1.5175760155647837
Energy: 1.5632570284847522
Energy: 1.5516495894379307
Energy: 1.2912474804397605
Energy: 1.306206246313566
Energy: 1.4434888870177645
Energy: 1.449711503804754
Energy: 1.409177525405659
Energy: 1.441091839190146
Energy: 1.344292681168211
Energy: 1.2885739694299418
Energy: 1.2957219552788561
Energy: 1.2919728292893073
Energy: 1.2920862921298566
Energy: 1.3342660793159198
Energy: 1.3216760323431116
Energy: 1.324305798593988
Energy: 1.4137205596316582
Energy: 1.467783756560188
Energy: 1.4910973597007604
Energy: 1.5394596580383713
Energy: 1.5514732077625601
Energy: 1.2921481939548374
Energy: 1.4732738185465282
Energy: 1.4448641040592776
Energy: 1.3527485608165242
Energy: 1.4011560128209009
Energy: 1.330983241905111
Energy: 1.3739048054925744
Energy: 1.2867114812991873
Energy: 1.4144079982865019
Energy: 1.5040765885265144
Energy: 1.5885007774809377
Energy: 1.51297779202599
Energy: 1.6081842519291556
Energy: 1.5423198227302182
Energy: 1.4742922152074007
Energy: 1.3806342369970208
Energy: 1.4557591471437654
Energy: 1.286441336084644
Energy: 1.286321030407076
Energy: 1.4073858789586728
Energy: 1.3019430814947055

minimum gb energy = 1.1956422936033746 eV
minimum distance =  2.19109609367027 Angstroms
sigma value = 33


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

Energy: 1.7620014058325324
Energy: 1.5214806774735705
Energy: 1.3203564440211308
Energy: 1.4377469808644403
Energy: 1.4337968756678434
Energy: 1.4776349737702434
Energy: 1.4770073975313618
Energy: 1.5157649898325873
Energy: 1.424658877616998
Energy: 1.5072770541740113
Energy: 1.2871446692811588
Energy: 1.5137692448932385
Energy: 1.5241537160677934
Energy: 1.4274464113729073
Energy: 1.422750319385713
Energy: 1.5229790433700943
Energy: 1.4915975232269914
Energy: 1.4291791477302498
Energy: 1.325229286556345
Energy: 1.3198799351332395
Energy: 1.316516429582942
Energy: 1.4510030496757524
Energy: 1.5193267764691345
Energy: 1.3908712643814856
Energy: 1.4248262481626044
Energy: 1.39787479218841
Energy: 1.3272174840470559
Energy: 1.3264305628085098
Energy: 1.3233368416125166
Energy: 1.3098297088560285
Energy: 1.3143578975652337
Energy: 1.3253891304029302
Energy: 1.3167759628985334
Energy: 1.4063049608521707
Energy: 1.347862025456712
Energy: 1.4211354517788097
Energy: 1.4609368297804055
Energy: 1.4480093276846642
Energy: 1.3181149946268234
Energy: 1.3138179605168199
Energy: 1.3172952916953784
Energy: 1.3421664521792478
Energy: 1.4557173215538346
Energy: 1.3352680647183741
Energy: 1.4059241773264965
Energy: 1.4562242479525855
Energy: 1.5584237416797357
Energy: 1.5759684460221581
Energy: 1.3246778351867579
Energy: 1.3181034433042027
Energy: 1.4175641638396173
Energy: 1.512312341216277
Energy: 1.4937381910705274
Energy: 1.4996515165968483
Energy: 1.4634316570469592
Energy: 1.4579534025661223
Energy: 1.3345363295881487
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Energy: 1.4713810943281087
Energy: 1.511181759188189
Energy: 1.510622182286998
Energy: 1.4243827579930937
Energy: 1.4841311002018076
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Energy: 1.4327548282956988
Energy: 1.3997925033129144
Energy: 1.4750981709304827
Energy: 1.529486285236351
Energy: 1.2939297967857284
Energy: 1.4247461171425007
Energy: 1.5173548360701306
Energy: 1.5940377332587967
Energy: 1.517596710189721
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Energy: 1.30438591767309
Energy: 1.3774174077601762
Energy: 1.3124691931581518
Energy: 1.312440310554192
Energy: 1.3371200943116892
Energy: 1.4975433861856728
Energy: 1.5140585545856962
Energy: 1.5027625936752205
Energy: 1.5163907379763042
Energy: 1.301093619373548
Energy: 1.354873857655416
Energy: 1.368875006219287
Energy: 1.3125560978798372
Energy: 1.313557961793847
Energy: 1.3522267942423465
Energy: 1.3251026443414125
Energy: 1.3360880850361743
Energy: 1.4042959875823195
Energy: 1.5238917828367364
Energy: 1.2781187727096885
Energy: 1.3157599847160348
Energy: 1.446088627263715
Energy: 1.3109003561228407
Energy: 1.3835143418532754
Energy: 1.405562622596614
Energy: 1.4049197081845863
Energy: 1.5156532817506796
Energy: 1.6310386583466265
Energy: 1.4571430238474503
Energy: 1.469321931527036
Energy: 1.4786843688495306
Energy: 1.46252674206344
Energy: 1.4887615846406888
Energy: 1.4292207363045981
Energy: 1.514242846150191
Energy: 1.4857643150097193
Energy: 1.4989194887478001
Energy: 1.4466797170594836
Energy: 1.3238264149878523
Energy: 1.3053503804862339
Energy: 1.5024997868147472
Energy: 1.5066989352982103
Energy: 1.4460576946942416
Energy: 1.4228887607918161
Energy: 1.5076013497806644
Energy: 1.322276085714156
Energy: 1.3431248745158564
Energy: 1.337469250894967
Energy: 1.3430514083639284
Energy: 1.3077621166358278
Energy: 1.294929225545042
Energy: 1.5023893149392862
Energy: 1.423113863324561
Energy: 1.311024938350526
Energy: 1.441130013309392
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Energy: 1.3081330201546721
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Energy: 1.3894551823331782
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Energy: 1.323399200006317
Energy: 1.5876708866588878
Energy: 1.4180083106904053
Energy: 1.4774427897020281
Energy: 1.427863319688758
Energy: 1.3164419114228465
Energy: 1.308519505341412
Energy: 1.3284452237976314
Energy: 1.308195683313173
Energy: 1.3082018240711484
Energy: 1.3289340020848863
Energy: 1.5219935056938585
Energy: 1.4786626582842852
Energy: 1.51118337212645
Energy: 1.4206120928633121
Energy: 1.3243498112322805
Energy: 1.310938650518985
Energy: 1.307844060406224
Energy: 1.362314311242991
Energy: 1.3242394853846915
Energy: 1.4132694971591682
Energy: 1.3649818669314235
Energy: 1.353192617367313
Energy: 1.4441036098179623
Energy: 1.5078033610599173
Energy: 1.4694743581349408
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Energy: 1.4700102375732145
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Energy: 1.4213774223088655
Energy: 1.477251376448336
Energy: 1.5231318443317556
Energy: 1.4258485248989494
Energy: 1.5243262373000324

minimum gb energy = 1.2730384207511642 eV
minimum distance =  2.2093501097067 Angstroms
sigma value = 219


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

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Energy: 1.2835505667172986
Energy: 1.303524844809134
Energy: 1.287599928514556
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Energy: 1.27342608357562
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Energy: 1.3340522489540794
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Energy: 1.277864915489558
Energy: 1.264002036233763
Energy: 1.2706557420925595
Energy: 1.3036797195848777
Energy: 1.2884610015823657
Energy: 1.2739422096349526
Energy: 1.2519197009257736
Energy: 1.3170961561415488
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Energy: 1.273236538239655
Energy: 1.2721952822667821
Energy: 1.3320774330328908
Energy: 1.226713064268554
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Energy: 1.287425788632679
Energy: 1.270919446054856
Energy: 1.2674060468877277
Energy: 1.2702753102197792
Energy: 1.2267240913369686
Energy: 1.2287838109876088
Energy: 1.3239113366486566
Energy: 1.273334289707657

minimum gb energy = 1.2257732998674844 eV
minimum distance =  2.25173808118638 Angstroms
sigma value = 15


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

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Energy: 1.5572214573838001
Energy: 1.4684863426480197
Energy: 1.4740821383897733
Energy: 1.4661163819213183
Energy: 1.5468219492785245
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Energy: 1.6910353347646325
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Energy: 1.5755127611257973
Energy: 1.5580279117198228
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Energy: 1.5035030582640037
Energy: 1.4923712999221783
Energy: 1.4911304898600835
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minimum gb energy = 1.4050619845171568 eV
minimum distance =  2.20538606818878 Angstroms
sigma value = 293


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

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Energy: 1.536509390291091
Energy: 1.4758622379030397
Energy: 1.4714286725204484
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Energy: 1.5197201633115436
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Energy: 1.4963013064243644
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Energy: 1.500664864374575
Energy: 1.7097102927980972
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Energy: 1.475364290869507
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Energy: 1.4958739117984932
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Energy: 1.4529433925941315
Energy: 1.470843164664045
Energy: 1.474126939372296
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Energy: 1.4670818317095113
Energy: 1.7140734760483456
Energy: 1.520919307558806
Energy: 1.4658548732224048
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Energy: 1.501277934053826
Energy: 1.4353359081297452
Energy: 1.5280173297857307
Energy: 1.5235898967782462
Energy: 1.4560487906335733
Energy: 1.4556684963623514
Energy: 1.5530633022867266
Energy: 1.5367951696703315
Energy: 1.4763010645960344
Energy: 1.4716740854036425
Energy: 1.4903449405360707
Energy: 1.4658984678358429
Energy: 1.5461530583776566
Energy: 1.51924456098066
Energy: 1.4471051739951017
Energy: 1.461760182140549
Energy: 1.4522874078972436
Energy: 1.5827450365163998
Energy: 1.5182378444284046
Energy: 1.468844824815899
Energy: 1.4797999947209224
Energy: 1.4672442572905333
Energy: 1.4632423793103595
Energy: 1.5177366673587476
Energy: 1.82200478515268
Energy: 1.5171376854997687
Energy: 1.547481641813632
Energy: 1.5162231918102682
Energy: 1.4342397639592985
Energy: 1.4843992936999544
Energy: 1.4643544732886402
Energy: 1.4752923040806867
Energy: 1.5391513919246544
Energy: 1.441127697469838
Energy: 1.4720848725938793
Energy: 1.449931562958074
Energy: 1.5156504532263473
Energy: 1.548306444050892
Energy: 1.5332881644400582
Energy: 1.5751223365312146
Energy: 1.6140294630504062
Energy: 1.4578209817116432
Energy: 1.393894799703142
Energy: 1.454882817058945
Energy: 1.4287450303799707
Energy: 1.5266740324751045
Energy: 1.4558922960571907
Energy: 1.5280837544357257
Energy: 1.5413096776025956
Energy: 1.6372263637084405
Energy: 1.4786878797286083
Energy: 1.4661056527238054
Energy: 1.3990788861112575
Energy: 1.4182465575805332
Energy: 1.4286955877264795
Energy: 1.4689172029258004
Energy: 1.5227568057639915
Energy: 1.5279505690470807
Energy: 1.4927088496740952
Energy: 1.4476032909489238
Energy: 1.4706435276895808
Energy: 1.3945534883603616
Energy: 1.394096323148628
Energy: 1.4339814338057058
Energy: 1.4789780984188912
Energy: 1.7376592176858716
Energy: 1.4222635364919658
Energy: 1.473969665319231
Energy: 1.4997438048283969

minimum gb energy = 1.3854237187446536 eV
minimum distance =  2.20121248424854 Angstroms
sigma value = 293


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

Energy: 1.7189807876256282
Energy: 1.5025668004399297
Energy: 1.3096161933557873
Energy: 1.4496676247714004
Energy: 1.3056400306181501
Energy: 1.4296795157842277
Energy: 1.305698296912701
Energy: 1.323305052510069
Energy: 1.309005806727178
Energy: 1.5021264481132406
Energy: 1.3227381150264015
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Energy: 1.3711138299064725
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Energy: 1.3040224935068363
Energy: 1.5056250705407508
Energy: 1.368231878651858
Energy: 1.310683781125147
Energy: 1.3098178709695325
Energy: 1.4990994909197102
Energy: 1.3771209042753156
Energy: 1.3743717811394376
Energy: 1.3220540090075388
Energy: 1.3244701820072735
Energy: 1.304405025337861
Energy: 1.3059891780135005
Energy: 1.3520097984582344
Energy: 1.534178793486971
Energy: 1.3773789851853655
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Energy: 1.3755527672483079
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Energy: 1.3755480653300323
Energy: 1.3232426129734205
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Energy: 1.3065328490074446
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Energy: 1.3519071143458754
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Energy: 1.3695316340494057
Energy: 1.3232834156800022
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Energy: 1.3707903433986133
Energy: 1.3695179727026336
Energy: 1.3016353173609487
Energy: 1.3249743577878346
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Energy: 1.3866768315008071
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Energy: 1.3246529991074762
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Energy: 1.1971557355869413
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Energy: 1.3123842066077809
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Energy: 1.3675056370400398
Energy: 1.5007234604685376
Energy: 1.3923731413547011
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Energy: 1.3094176260155017
Energy: 1.5020627465653726
Energy: 1.5042177887387702
Energy: 1.3698993348244046
Energy: 1.3096904014478778
Energy: 1.451300228369755
Energy: 1.303951026828224
Energy: 1.315280811548518
Energy: 1.3230029611018028
Energy: 1.3732816763172542
Energy: 1.5029305973409477
Energy: 1.3069080536530207
Energy: 1.3906902086620028
Energy: 1.3109266809669735
Energy: 1.3691919198697615
Energy: 1.3515146962294593
Energy: 1.317490550962849
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Energy: 1.3733976334504248
Energy: 1.3209096352607106
Energy: 1.325098666183334
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Energy: 1.5072115761362113
Energy: 1.5127581723027719
Energy: 1.3074770840965133
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Energy: 1.5053646258822515
Energy: 1.3057899256267282
Energy: 1.307121785999006
Energy: 1.1946600887991448
Energy: 1.31082110324269
Energy: 1.306986519403278
Energy: 1.351833678643085
Energy: 1.5025859289020476
Energy: 1.377634219259513
Energy: 1.3694993779337654
Energy: 1.3027468539711142
Energy: 1.3662548795260612
Energy: 1.3122670442075781
Energy: 1.3259040417779524
Energy: 1.323629260011809
Energy: 1.3598042437014524
Energy: 1.502190425173977
Energy: 1.3523458446056442
Energy: 1.3147627221711302
Energy: 1.3102493888842905
Energy: 1.3917640867930674
Energy: 1.310654556405377
Energy: 1.371620055741377
Energy: 1.3745357768938968
Energy: 1.3744232783581283
Energy: 1.309617491696023
Energy: 1.306687214232739
Energy: 1.3777248313826167
Energy: 1.5444993045083963
Energy: 1.3705910001373098
Energy: 1.5032400531388974
Energy: 1.5025577051517174
Energy: 1.3755492594424685
Energy: 1.323555081794735
Energy: 1.3042558783784153
Energy: 1.3232433678808555
Energy: 1.3722177683697396
Energy: 1.5053428138912455
Energy: 1.3904438308446572
Energy: 1.3719028782237674
Energy: 1.377560225647837
Energy: 1.4446598068547543
Energy: 1.3112616560753985
Energy: 1.3129115660916992
Energy: 1.366832642867271
Energy: 1.3197033198534163
Energy: 1.3103217333877502
Energy: 1.3057189657179393
Energy: 1.3518620655686029
Energy: 1.5009365515821762
Energy: 1.3079600882921227
Energy: 1.369881748775984
Energy: 1.3510927447470138
Energy: 1.301271387016443
Energy: 1.3250973411393934
Energy: 1.3235559796539307
Energy: 1.3091693202350654
Energy: 1.3608602927133495
Energy: 1.3515984088433581
Energy: 1.3903061552286957
Energy: 1.5439891968412875
Energy: 1.3037409601348482
Energy: 1.4428108059224267
Energy: 1.3781415603739282
Energy: 1.3775040656215498
Energy: 1.320088795418158
Energy: 1.3107170827135388
Energy: 1.3327230658241547
Energy: 1.3092040818043997
Energy: 1.3691783658583858
Energy: 1.3519748641156122
Energy: 1.3757251702930016
Energy: 1.3657181080670338
Energy: 1.4981339501158286
Energy: 1.378407334573324
Energy: 1.3248600210187405
Energy: 1.3028413774105576
Energy: 1.372772829403825
Energy: 1.3065340225193944
Energy: 1.3116752684622848

minimum gb energy = 1.1943071174700024 eV
minimum distance =  2.29345742649557 Angstroms
sigma value = 15


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

Energy: 1.6490928056778986
Energy: 1.41986627993042
Energy: 1.4295883298840506
Energy: 1.435391692392045
Energy: 1.4187990787307347
Energy: 1.4109993030679615
Energy: 1.6110782234363596
Energy: 1.4021193729088988
Energy: 1.42949598126465
Energy: 1.4249686752163684
Energy: 1.4764187329853011
Energy: 1.5280181185272659
Energy: 1.628922565318105
Energy: 1.6226658634824793
Energy: 1.4516492867539166
Energy: 1.4234414844219128
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Energy: 1.3858963666980857
Energy: 1.3866151941941285
Energy: 1.519285591295784
Energy: 1.5325137939015268
Energy: 1.5340855385739611
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Energy: 1.4322589041672986
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Energy: 1.3906826599663815
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Energy: 1.4054396849717665
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Energy: 1.5532988184703804
Energy: 1.45539255054059
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Energy: 1.494658158126446
Energy: 1.4029216633621235
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Energy: 1.4306919503057558
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Energy: 1.4893119804497472
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Energy: 1.5852081536491351
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Energy: 1.4250796733833708
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Energy: 1.4292397935539556
Energy: 1.4044958870136008
Energy: 1.4442132275980128
Energy: 1.5588226448169151
Energy: 1.7735733802636025
Energy: 1.5929758276753287
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Energy: 1.454108987181536
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Energy: 1.4299746590603541
Energy: 1.4058812049671032
Energy: 1.3924254909427234
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Energy: 1.4762811560583862
Energy: 1.4399130977799584
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Energy: 1.4755284651782046
Energy: 1.4255650155243567
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Energy: 1.4218769573891665
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Energy: 1.457134413557198
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Energy: 1.4420467863580362
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Energy: 1.428661797377857
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Energy: 1.4785766444998933
Energy: 1.534688526480281
Energy: 1.4678951191667577
Energy: 1.4132201528293737
Energy: 1.5326635970792608
Energy: 1.4611150294261697
Energy: 1.4408893060370396
Energy: 1.4143190668582557
Energy: 1.4396118260738768
Energy: 1.4281455689766416
Energy: 1.5302459073240426
Energy: 1.5169623408065671
Energy: 1.522353755283285
Energy: 1.4963510648704785
Energy: 1.4455699971675333
Energy: 1.4400627069775795
Energy: 1.4170067135170161
Energy: 1.4285544555014809
Energy: 1.4590639534290737
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Energy: 1.427859335024343
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Energy: 1.4168944110594324
Energy: 1.4666874301680382
Energy: 1.494368312062553
Energy: 1.4230904825119473
Energy: 1.4278830816528632
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Energy: 1.418545109615238
Energy: 1.5169834678952543
Energy: 1.3666909763505526
Energy: 1.4462904963198633
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Energy: 1.6502116945956422
Energy: 1.5176721407726905
Energy: 1.4232676062164389
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Energy: 1.4818666901601016
Energy: 1.488909662185281
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Energy: 1.6980701356590044
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Energy: 1.4754236264491796
Energy: 1.4370887127827396
Energy: 1.4145434758624147
Energy: 1.427583544751512
Energy: 1.4324835622191308
Energy: 1.5871415337192794
Energy: 1.5820400550435665
Energy: 1.5811722048065135
Energy: 1.5123526375028304
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Energy: 1.4312667108369657
Energy: 1.4000631937746233
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Energy: 1.425477744362887
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Energy: 1.538913405164727
Energy: 1.5399246858393922
Energy: 1.5199883756281085
Energy: 1.5369041651521178
Energy: 1.5497703895473491
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Energy: 1.4527983939112352
Energy: 1.450496474186905
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Energy: 1.4792530041462852
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Energy: 1.4646721219462084
Energy: 1.505034275898594
Energy: 1.4803782346443732
Energy: 1.4782602734841137
Energy: 1.441970945583848
Energy: 1.4489855776651501
Energy: 1.4461190488846627
Energy: 1.554786817487045
Energy: 1.5247171260090842
Energy: 1.4779397210412168
Energy: 1.5669903915788184
Energy: 1.4666959705566032
Energy: 1.470997548150529
Energy: 1.5022667780644228
Energy: 1.6372270609515054
Energy: 1.5796871743859864
Energy: 1.5610185670937238
Energy: 1.5401609753438432
Energy: 1.4276283384873303
Energy: 1.4575572520073585
Energy: 1.5799598286366932
Energy: 1.4203496423461797
Energy: 1.4349865353422406
Energy: 1.6186183234097278
Energy: 1.5765366646899452
Energy: 1.4296209538161704
Energy: 1.4242696146351463
Energy: 1.3938164347771336
Energy: 1.3941542491690517
Energy: 1.5655876601866354
Energy: 1.516055641858919
Energy: 1.4287280413617995
Energy: 1.585884457678383
Energy: 1.4274775349771425
Energy: 1.407017761646552
Energy: 1.4072257758127313
Energy: 1.3924029114122134
Energy: 1.3887522289157366
Energy: 1.4589306468464058
Energy: 1.5648525543922966
Energy: 1.6050781209659266
Energy: 1.52294259603747
Energy: 1.4605989127652843
Energy: 1.427490027512019
Energy: 1.3835043380714316
Energy: 1.3918257775730152
Energy: 1.4214678487156096
Energy: 1.4362681368272887
Energy: 1.433965306577791
Energy: 1.6286771499697825
Energy: 1.4627573623328078
Energy: 1.4874043214160262
Energy: 1.519366435477556
Energy: 1.427992043987397
Energy: 1.4528387322796312
Energy: 1.6149989793797768
Energy: 1.4104590489230893
Energy: 1.4194545370771043
Energy: 1.4413551577939596
Energy: 1.4273799737998918
Energy: 1.4226085427998563
Energy: 1.469067709244828
Energy: 1.3961617173079435
Energy: 1.5938741239853833
Energy: 1.6217922972523215
Energy: 1.4530510208023721
Energy: 1.4260013239402904
Energy: 1.4054698565097683
Energy: 1.3996415877339532
Energy: 1.4210968865953875
Energy: 1.5151461239159603
Energy: 1.456991737364044
Energy: 1.7086292272382342
Energy: 1.4453501516261371
Energy: 1.5118887101304301
Energy: 1.433697897240352
Energy: 1.4459456751618873
Energy: 1.409723999507781
Energy: 1.415610099201774
Energy: 1.4102456908418421
Energy: 1.521110309041342
Energy: 1.5333620197021285
Energy: 1.5718061200888347
Energy: 1.4596223460573121
Energy: 1.4619936453839377
Energy: 1.4495374833659136
Energy: 1.4183878194121322
Energy: 1.4464932044920416
Energy: 1.4466476781368647
Energy: 1.595526460822908
Energy: 1.584344026830856
Energy: 1.5391814270563808
Energy: 1.5197376943203986
Energy: 1.379522312723767
Energy: 1.429461971600529
Energy: 1.4309007695440576
Energy: 1.4559138592801821
Energy: 1.4863542981303213
Energy: 1.4327753714062066
Energy: 1.5258071750935236
Energy: 1.4004821508710543
Energy: 1.4326180365640138
Energy: 1.4626985477369703
Energy: 1.4027056541819345
Energy: 1.5170116668057552
Energy: 1.5240175862361622
Energy: 1.5019978790376292
Energy: 1.4549757260506528
Energy: 1.4385481208875261
Energy: 1.518226925825929
Energy: 1.5540843375737479
Energy: 1.5228298841680799
Energy: 1.5581398912259685
Energy: 1.4175190483048983
Energy: 1.3992784690805602
Energy: 1.5223612943630027
Energy: 1.4245513411734672
Energy: 1.498829550024187
Energy: 1.5093288454474518
Energy: 1.5401506373029097
Energy: 1.5408446808456877
Energy: 1.460754754024264
Energy: 1.5567675922821167
Energy: 1.4327114747983904
Energy: 1.3959559646504816
Energy: 1.5270885973166506
Energy: 1.4558704915094824
Energy: 1.5209087989426695
Energy: 1.4290551359636012
Energy: 1.4590187787295414
Energy: 1.4257100450708773
Energy: 1.5336795855819603
Energy: 1.4291439238469945
Energy: 1.5207704834371953
Energy: 1.5442317792790217
Energy: 1.4061621952791958
Energy: 1.4306919697888787
Energy: 1.4269839262711317
Energy: 1.4153658581968724
Energy: 1.4109365556455784
Energy: 1.4376911774009413
Energy: 1.5355393671968873
Energy: 1.5374260472107002
Energy: 1.4935468225452282
Energy: 1.515610748092214
Energy: 1.4408722385040598
Energy: 1.401559258290975
Energy: 1.4071505558382351
Energy: 1.4260943730046085
Energy: 1.4703814149173202
Energy: 1.6157196581057336
Energy: 1.5466505288625079
Energy: 1.469223641402561
Energy: 1.459843192999802
Energy: 1.4698804100232135
Energy: 1.4358268404560401
Energy: 1.4478184044806848
Energy: 1.6101388416593376
Energy: 1.4486275273596303
Energy: 1.6230633520080058
Energy: 1.4990644892715563
Energy: 1.4291635181432418
Energy: 1.4627950427890055

minimum gb energy = 1.3666909763505526 eV
minimum distance =  2.18482727711581 Angstroms
sigma value = 437


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

Energy: 1.704318885214256
Energy: 1.477205244483474
Energy: 1.440949542977546
Energy: 1.469982347142445
Energy: 1.6698420133264775
Energy: 1.52242028618254
Energy: 1.5462371638490322
Energy: 1.4594347879001532
Energy: 1.4326361995273222
Energy: 1.4774876599360467
Energy: 1.6372333382847586
Energy: 1.4705570243868273
Energy: 1.5598358417397418
Energy: 1.4727619740262663
Energy: 1.4647978731889704
Energy: 1.4073090211858028
Energy: 1.4415231980545309
Energy: 1.4441675807030305
Energy: 1.4557728718429297
Energy: 1.3794102903921357
Energy: 1.6668787612642932
Energy: 1.520547199533429
Energy: 1.3899889767151745
Energy: 1.471153349085582
Energy: 1.448441340579215
Energy: 1.4515456358315675
Energy: 1.4608774695925968
Energy: 1.4646310516233425
Energy: 1.3899729370751237
Energy: 1.4992436252143595
Energy: 1.5477665858567833
Energy: 1.6016558988904286
Energy: 1.5024882767992027
Energy: 1.5771066920000314
Energy: 1.4596721741020993
Energy: 1.4461334626493831
Energy: 1.554008681207178
Energy: 1.4778791105455558
Energy: 1.5663072468423689
Energy: 1.5826210162550205
Energy: 1.4858296603652923
Energy: 1.4199278045149146
Energy: 1.4050183543489658
Energy: 1.4800845921725316
Energy: 1.4923471169625626
Energy: 1.5665686064174122
Energy: 1.5454262852429
Energy: 1.5024277932233527
Energy: 1.377190535682862
Energy: 1.3948700990627372
Energy: 1.6439388273037387
Energy: 1.378365107643162
Energy: 1.3839303101254912
Energy: 1.6816887382088135
Energy: 1.4773212498777453
Energy: 1.4336873662017269
Energy: 1.460902218232535
Energy: 1.5247942771569556
Energy: 1.3765854119717658
Energy: 1.3622575725406574
Energy: 1.3913417067628093
Energy: 1.394500078087671
Energy: 1.3885727665464849
Energy: 1.4782579806234204
Energy: 1.485478612030009
Energy: 1.374754416641074
Energy: 1.4036220418775966
Energy: 1.4035223300378978
Energy: 1.390104000284491
Energy: 1.3837225521045693
Energy: 1.3921842186426594
Energy: 1.352793391542125
Energy: 1.3522698996474285
Energy: 1.4646896426551792
Energy: 1.4087735820155232
Energy: 1.3899489729143086
Energy: 1.5288422983232772
Energy: 1.4661765689001034
Energy: 1.403361136668558
Energy: 1.393658470762495
Energy: 1.7462960472581393
Energy: 1.3913815886014012
Energy: 1.382688110402597
Energy: 1.7130549607524543
Energy: 1.4628854692433848
Energy: 1.4364998501210602
Energy: 1.4726449617088162
Energy: 1.4679565076675327
Energy: 1.4137251074600032
Energy: 1.3632743158398462
Energy: 1.5279619157258348
Energy: 1.3778598566943583
Energy: 1.3777701678659147
Energy: 1.4757377604154567
Energy: 1.468321498351118
Energy: 1.4524306600508632
Energy: 1.4824306028827205
Energy: 1.5035614660847822
Energy: 1.4288826171465905
Energy: 1.4943235629646594
Energy: 1.4980286363727182
Energy: 1.433406649091379
Energy: 1.4889847151540319
Energy: 1.4652663439794482
Energy: 1.4794776646258032
Energy: 1.454293997843244
Energy: 1.5415022472833175
Energy: 1.5277090909369233
Energy: 1.5072920407790193
Energy: 1.4509296227577968
Energy: 1.5007852523595582
Energy: 1.5198514007073416
Energy: 1.404899540993571
Energy: 1.529431235261605
Energy: 1.5421340283028568
Energy: 1.4492809797643422
Energy: 1.436663670542932
Energy: 1.4922530670070753
Energy: 1.3778299198604664
Energy: 1.5300794807849718
Energy: 1.4706357825445713
Energy: 1.377406577264175
Energy: 1.3637042598655904
Energy: 1.6181214657229448
Energy: 1.4551546146929735
Energy: 1.4233542963393109
Energy: 1.4617441492729564
Energy: 1.4701198018518888
Energy: 1.3757224985459748
Energy: 1.474814885803552
Energy: 1.4234467751297644
Energy: 1.4252738908656009
Energy: 1.442498449145945
Energy: 1.469833692644318
Energy: 1.639332021083549
Energy: 1.5482396245540262
Energy: 1.5565845065518962
Energy: 1.4604547481772974
Energy: 1.4151407636240518
Energy: 1.4747021085427845

minimum gb energy = 1.3522698996474285 eV
minimum distance =  2.2251782062605 Angstroms
sigma value = 33