Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_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=2.865952417254448
cohesive_energy=4.290335459264325
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=[5.231026601178299e-21, 4.2665002457439595e-20, 1.223667210747402e-19, 2.10836831974596e-19, 2.8695784603257e-19, 3.5040243856233597e-19, 4.0488445500150593e-19, 4.52688599230164e-19, 4.9464800309799e-19, 5.31006197453352e-19, 5.61989089201644e-19, 5.88003631207902e-19, 6.095913591744179e-19, 6.27337067572602e-19, 6.41795109517818e-19, 6.534637619432399e-19, 6.6277240818678e-19, 6.700991619340619e-19, 6.757756737483239e-19, 6.80104755013392e-19, 6.833411518140719e-19, 6.855906078082079e-19, 6.86905994824722e-19, 6.87333775986e-19, 6.86873951292042e-19, 6.853951422588599e-19, 6.827227116333479e-19, 6.78646774276452e-19, 6.72917390633268e-19, 6.652237384368e-19, 6.551893061780579e-19, 6.42351064809816e-19, 6.261274242139319e-19, 6.0579259837520395e-19, 5.804381531421539e-19, 5.4892173657474e-19, 5.0979658317246e-19, 4.61233007219286e-19, 4.0087100253333596e-19, 3.25576711618506e-19, 2.3101144014992395e-19, 1.1082992778629638e-19, -4.4576078746474803e-20, -2.4976972418079596e-19, -5.26172430548574e-19, -9.046818538011719e-19, -1.43019098322327e-18, -2.1711576220324198e-18, -3.2439270308598e-18, -4.8720909698632796e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.014893317603779285
Energy: 0.015367155560652258
Energy: 0.08865924952313331
Energy: 0.08998107713877308
Energy: 0.1096289134592407
Energy: 0.0877909951411766
Energy: 0.10504383013917332
Energy: 0.0889180013508428
Energy: 0.09068944646683891
Energy: 0.017823538470095466
Energy: 0.01508943170399636
Energy: 0.08774013116661028
Energy: 0.10540337975299442
Energy: 0.015831821490401306
Energy: 0.016292265695068024
Energy: 0.09305868062458217
Energy: 0.08776494066830226
Energy: 0.10502895574760913
Energy: 0.08771705274192097
Energy: 0.10790470145418621
Energy: 0.08856685290829397
Energy: 0.08754992840449151
Energy: 0.10491581349060623
Energy: 0.015215022956993804
Energy: 0.08965111555284025
Energy: 0.10512307771930006
Energy: 0.015284762553516353
Energy: 0.015255674006057077
Energy: 0.10530657404331348
Energy: 0.08849730893125808
Energy: 0.01662360210373157
Energy: 0.10565936087583377
Energy: 0.09372273070441749
Energy: 0.08790095670873566
Energy: 0.09256462140279162
Energy: 0.10538433796806108
Energy: 0.016015298515046465
Energy: 0.015675281505735564
Energy: 0.08763424198358366
Energy: 0.015081030754346204
Energy: 0.017063266826049667
Energy: 0.09130967009639022
Energy: 0.088311146660364
Energy: 0.016059059386581143
Energy: 0.015140383774827109
Energy: 0.08756823691922472
Energy: 0.09026123502286737
Energy: 0.08898770729937476
Energy: 0.08751465716993348
Energy: 0.015032731338765048
Energy: 0.08801263389617234
Energy: 0.09047776581487604
Energy: 0.10860654595389947
Energy: 0.015585045061972351
Energy: 0.015195255320452425
Energy: 0.08851203313786066
Energy: 0.015796792810378036
Energy: 0.01709443432830296
Energy: 0.10591481686859136
Energy: 0.08744870735869219
Energy: 0.015066849396071252
Energy: 0.10554188280154675
Energy: 0.08800692025850897
Energy: 0.10500374078679961
Energy: 0.08776008033635598
Energy: 0.10478663124236981
Energy: 0.015520754048103099
Energy: 0.017094785159836562
Energy: 0.10491771984359433
Energy: 0.08866537123785188

minimum gb energy = 0.014893317603779285 eV
minimum distance =  2.48049880983469 Angstroms
sigma value = 3


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

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Energy: 1.3381013515073792
Energy: 1.355596784814405
Energy: 1.349808032078531
Energy: 1.4241690386920942
Energy: 1.3604110010494415
Energy: 1.4194026037927472
Energy: 1.426504716029508
Energy: 1.4257399713345367
Energy: 1.4396603379706217
Energy: 1.3751211844013669
Energy: 1.360471835443421
Energy: 1.4096070543325079
Energy: 1.3882167069100961
Energy: 1.41601612459796
Energy: 1.3622516151122475
Energy: 1.3651504125252387
Energy: 1.4268516826424886
Energy: 1.3538795822772158
Energy: 1.4357195084524257
Energy: 1.4727576386028878
Energy: 1.3526485200920886
Energy: 1.4145969004453405
Energy: 1.4156969367960952
Energy: 1.4109378911944697
Energy: 1.4115401860842365
Energy: 1.3885819080177844
Energy: 1.3556542015515889
Energy: 1.3476643902983112
Energy: 1.4505019290184087
Energy: 1.3456160272170044
Energy: 1.3503290501729313
Energy: 1.4104857587918012
Energy: 1.4024425249279842
Energy: 1.366369938709801
Energy: 1.3533999667565768
Energy: 1.4253215311553626
Energy: 1.3873215062275412
Energy: 1.3511550163072943
Energy: 1.3761141097994298
Energy: 1.3455405827103815
Energy: 1.3530487371171291
Energy: 1.363295947610926
Energy: 1.3858472642891921
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Energy: 1.428506194024971
Energy: 1.363286630835132
Energy: 1.409934772962232
Energy: 1.3510680771539376
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Energy: 1.353293572167825
Energy: 1.3589251639496718
Energy: 1.3790925032484356
Energy: 1.396928841179522
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Energy: 1.3671666432234084
Energy: 1.345894083923572
Energy: 1.3783095735204243
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Energy: 1.3370061068787507
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Energy: 1.3729328212460163
Energy: 1.3752411837906755
Energy: 1.409463663560768
Energy: 1.3945604420093125
Energy: 1.3465760923337269
Energy: 1.3318245165806948
Energy: 1.331170932855484
Energy: 1.3303326888418856
Energy: 1.3307898009634433
Energy: 1.3340211394749684
Energy: 1.3786450455930412
Energy: 1.409938462470479
Energy: 1.4066385922942812
Energy: 1.4039261464727244
Energy: 1.4435110266484497
Energy: 1.3467952696852439
Energy: 1.4795348645728688
Energy: 1.4713713533864035
Energy: 1.3474225139288207
Energy: 1.3478563041185312
Energy: 1.3790621541934014
Energy: 1.4618566093387741
Energy: 1.3374435821254516
Energy: 1.3890280871082394
Energy: 1.345615316079793
Energy: 1.331827682685257
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Energy: 1.4090966649986025
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Energy: 1.3342022141810126
Energy: 1.3861472200174219
Energy: 1.3455320289481743
Energy: 1.448857447394045
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Energy: 1.3983672562829679
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Energy: 1.3485401428791153
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Energy: 1.3448568508767502
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Energy: 1.3386611590370383
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Energy: 1.346844251013684
Energy: 1.369531345726671
Energy: 1.3474117346165888
Energy: 1.3800481049151188
Energy: 1.3755925358550964
Energy: 1.3767113521662238
Energy: 1.3730253744499916
Energy: 1.378072065880663
Energy: 1.4203241737231918
Energy: 1.3752133095346837
Energy: 1.3442649628534404
Energy: 1.3876646709244211
Energy: 1.4001301115023388
Energy: 1.3407721217989494
Energy: 1.3799465559610593
Energy: 1.3369832089650007
Energy: 1.3432549667903146
Energy: 1.3710781030504058
Energy: 1.34838415408335
Energy: 1.3428086507092043
Energy: 1.429450724129041
Energy: 1.414867371910192
Energy: 1.3868693804634502
Energy: 1.340962508710716
Energy: 1.345401760258651
Energy: 1.3760475348490782
Energy: 1.400819982634414
Energy: 1.3626593360344854
Energy: 1.3831547236738984
Energy: 1.366402302077647
Energy: 1.3764837074382013
Energy: 1.4148146471429115
Energy: 1.3458671495384709
Energy: 1.4747016692257193
Energy: 1.346338423885533
Energy: 1.3753990681236894
Energy: 1.3760677882615462
Energy: 1.3621586838543829
Energy: 1.358140784387047
Energy: 1.402898197551927
Energy: 1.350786824443705
Energy: 1.410091165786359
Energy: 1.3769777857333823
Energy: 1.4145105000878824
Energy: 1.3927169046559567
Energy: 1.3618474402764378
Energy: 1.4224186127367315
Energy: 1.3465627374648605
Energy: 1.345245002116157
Energy: 1.5138998884727377
Energy: 1.3381903076838075
Energy: 1.3457060268337317
Energy: 1.3902040374931999
Energy: 1.4166268794872612
Energy: 1.377201419532081
Energy: 1.3585818500150353
Energy: 1.3505396512811834
Energy: 1.4145200601743046
Energy: 1.3469406355293843
Energy: 1.4084545452652164
Energy: 1.381481854275206
Energy: 1.4173704722163953
Energy: 1.3710348939754884
Energy: 1.3383081350526327
Energy: 1.3524132194291774
Energy: 1.3901534900749435
Energy: 1.3844597070097604
Energy: 1.3784522923864022
Energy: 1.3846982371350722
Energy: 1.3529031365896533
Energy: 1.4257451492365694
Energy: 1.351384757553492
Energy: 1.392780924060407
Energy: 1.3375806947355287
Energy: 1.3458160359133102
Energy: 1.400785978736966

minimum gb energy = 1.3303326888418856 eV
minimum distance =  2.26534621588778 Angstroms
sigma value = 75


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

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Energy: 1.446348004314775
Energy: 1.4635072950233976
Energy: 1.4509320588691672
Energy: 1.465880357620699
Energy: 1.44282200144422
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Energy: 1.470006972909975
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Energy: 1.4929338977747095
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Energy: 1.466188838099006
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Energy: 1.485183108380834
Energy: 1.5345726958976997
Energy: 1.480866730562769
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minimum gb energy = 1.4017669116579465 eV
minimum distance =  2.25299750745638 Angstroms
sigma value = 105


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

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Energy: 1.4682977739969278
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Energy: 1.4414957333562555
Energy: 1.3748908455852844
Energy: 1.503495224192338
Energy: 1.5801970761272937
Energy: 1.5250851100109273
Energy: 1.5989165442603328
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Energy: 1.4137317313729807
Energy: 1.5934943969791282
Energy: 1.4156063147873794
Energy: 1.4878394832444717
Energy: 1.4462113933090803
Energy: 1.4389540244065782
Energy: 1.3813302558871896
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Energy: 1.487920608251044
Energy: 1.4505113303588832
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Energy: 1.4309556565711299
Energy: 1.487069800020456
Energy: 1.429608302935257
Energy: 1.4295883038993094
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Energy: 1.4332815033482342
Energy: 1.4344068055567527
Energy: 1.4294625055049346
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Energy: 1.4224547585030478
Energy: 1.4405052276542956
Energy: 1.439662434325488
Energy: 1.4199536834149018
Energy: 1.4431201446510542
Energy: 1.4426493133873763
Energy: 1.4270072219118688
Energy: 1.433990524848391
Energy: 1.4481985348290214
Energy: 1.5356634594865697
Energy: 1.4839230449642098
Energy: 1.4531514794105551
Energy: 1.4579180814312946
Energy: 1.4920775707034357
Energy: 1.4301559120715532
Energy: 1.4336348841762314
Energy: 1.4503618854151097
Energy: 1.4305308011798685
Energy: 1.5374624409442887
Energy: 1.4553205920813435
Energy: 1.4562072555363172
Energy: 1.4563247917905977
Energy: 1.6498002145871635
Energy: 1.5951571581851314
Energy: 1.428312817535582
Energy: 1.4624459512310317
Energy: 1.4460726285173577
Energy: 1.6037145781418494
Energy: 1.4164629692452253
Energy: 1.4155181061241817
Energy: 1.4492718265295246
Energy: 1.401576494976944
Energy: 1.4509172399221022
Energy: 1.401938497566344
Energy: 1.5668725717498453
Energy: 1.5526907819719666
Energy: 1.41772677766909

minimum gb energy = 1.3384565259910064 eV
minimum distance =  2.2844584379376 Angstroms
sigma value = 165


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

Energy: 1.6347760220398908
Energy: 1.3481254618808514
Energy: 1.4070546681016431
Energy: 1.396037782474114
Energy: 1.4165851221436652
Energy: 1.3841577340564706
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Energy: 1.3737411495353686
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Energy: 1.347913280976246
Energy: 1.4125146542319273
Energy: 1.3732800826419647
Energy: 1.3991658433988179
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Energy: 1.6793343449644276
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Energy: 1.4219234082794185
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Energy: 1.3953852562452875
Energy: 1.4176252270889176
Energy: 1.4150555801828182
Energy: 1.3743902645043293
Energy: 1.3735238824730776
Energy: 1.3739540294996622
Energy: 1.377575207785533
Energy: 1.376483164826089
Energy: 1.4148353889401015
Energy: 1.3829573614706978
Energy: 1.4042571808401167
Energy: 1.4252883591645409
Energy: 1.4182477733621797
Energy: 1.380337513015769
Energy: 1.381961969228698
Energy: 1.3719905540387138
Energy: 1.4073353186449904
Energy: 1.3746902141253654
Energy: 1.3737515414746078
Energy: 1.361782626221921
Energy: 1.4110547516501475
Energy: 1.4937606381465485
Energy: 1.451638365017844
Energy: 1.3728422629583472
Energy: 1.3834172616340992
Energy: 1.3738344887422898
Energy: 1.4133516833315478
Energy: 1.3985107362254696
Energy: 1.3938967849079305
Energy: 1.3955418942533964
Energy: 1.3757860039091339
Energy: 1.4158132470975566
Energy: 1.41677781303419
Energy: 1.4169485755174847
Energy: 1.4641217963615747
Energy: 1.6574530314587528

minimum gb energy = 1.347913280976246 eV
minimum distance =  2.26381536085872 Angstroms
sigma value = 41


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

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Energy: 1.4477699500035837
Energy: 1.4152587692713814
Energy: 1.3339004557696443
Energy: 1.2971512614998109
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Energy: 1.3438667770722563
Energy: 1.4747516882290774
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Energy: 1.3349009019937215
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Energy: 1.2944318866388385
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Energy: 1.3867146187043349
Energy: 1.3671189205309715
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Energy: 1.4432481192855533
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Energy: 1.4260243969445972
Energy: 1.2598388557407518
Energy: 1.2960838250858733
Energy: 1.4047925621293875
Energy: 1.4276770401008052
Energy: 1.3011985465154214
Energy: 1.3572926215203855
Energy: 1.4339616667666337
Energy: 1.3916849349039337
Energy: 1.3145670588997682
Energy: 1.2703537134732565
Energy: 1.2599938483400472
Energy: 1.2954530360507406
Energy: 1.4254158363233689
Energy: 1.3135199269454054
Energy: 1.2316996844578083
Energy: 1.3058801078228577
Energy: 1.3387631207767443
Energy: 1.4183395183789447
Energy: 1.496299028600162
Energy: 1.3911667099630223
Energy: 1.3416822300386124
Energy: 1.305987453017986
Energy: 1.3085087111141458
Energy: 1.314310960168044
Energy: 1.2833540306113864
Energy: 1.303080048970393
Energy: 1.304921403640393
Energy: 1.4149090007873437
Energy: 1.448167177770072
Energy: 1.441475800105412
Energy: 1.4326447191468605
Energy: 1.2932047496592503
Energy: 1.3080280215685522
Energy: 1.2969679832754777
Energy: 1.3096592869268449
Energy: 1.3038858215030047
Energy: 1.3051739182193773
Energy: 1.3049505500680707
Energy: 1.4854128195570215
Energy: 1.422790443789588
Energy: 1.4083948351794182
Energy: 1.2932083400923533
Energy: 1.307504199206757
Energy: 1.2826709843873136
Energy: 1.4418058454417206
Energy: 1.4156841773896998
Energy: 1.334409070274413
Energy: 1.326693520615383
Energy: 1.294670684882331
Energy: 1.3307152566680365
Energy: 1.42605055956049
Energy: 1.4839544513020688
Energy: 1.3867541747388037

minimum gb energy = 1.2045908349713317 eV
minimum distance =  2.271270262086 Angstroms
sigma value = 185


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

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Energy: 1.237600948811518
Energy: 1.4274916760906526
Energy: 1.4255101482350845
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Energy: 1.4678217317768258
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Energy: 1.5634676511936207
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Energy: 1.425867938542255
Energy: 1.4717137171149601
Energy: 1.5795327825297523
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Energy: 1.2336221199800992
Energy: 1.4280911486072294
Energy: 1.582254913154471
Energy: 1.5780172864786917
Energy: 1.5823879850794493
Energy: 1.2451241958160597
Energy: 1.253169362937161
Energy: 1.4262550169918484
Energy: 1.4302213015139795
Energy: 1.4263628173241902
Energy: 1.4269150106179016
Energy: 1.4280934755515173
Energy: 1.246741687627734
Energy: 1.2481793989809318
Energy: 1.2481833301559873
Energy: 1.2462027440418013
Energy: 1.2714650871944053
Energy: 1.273694816232819
Energy: 1.2736785606813081
Energy: 1.430213531206421
Energy: 1.4258826536089528
Energy: 1.4709001164461797
Energy: 1.5945524065608359
Energy: 1.5787435338992213
Energy: 1.429611393824751
Energy: 1.4271785248169417
Energy: 1.4277690031749366
Energy: 1.2721672423520543
Energy: 1.4241068517077444
Energy: 1.271589778418462
Energy: 1.242567250862138
Energy: 1.2428273519837003
Energy: 1.2374450085373998
Energy: 1.4682522887563498
Energy: 1.5832914640142812
Energy: 1.5647168133025393
Energy: 1.5827016931366302
Energy: 1.5880646359560717
Energy: 1.4254269650555225
Energy: 1.4303359053678137
Energy: 1.426743929445339
Energy: 1.2372988106271154
Energy: 1.2424007143842055
Energy: 1.2444412945078727
Energy: 1.238254984149917

minimum gb energy = 1.2336221199800992 eV
minimum distance =  2.30998907592566 Angstroms
sigma value = 33


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

Energy: 1.6581861017021946
Energy: 1.356983351826919
Energy: 1.360342549807417
Energy: 1.3892234269084869
Energy: 1.475511199933115
Energy: 1.5487607117987239
Energy: 1.5460120122080696
Energy: 1.5083973404767963
Energy: 1.3608925421543288
Energy: 1.357459717850402
Energy: 1.3290347300665522
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Energy: 1.452300056925853
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Energy: 1.3519111377481152
Energy: 1.3558835005095735
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Energy: 1.3543661045601552
Energy: 1.3971528579589692
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Energy: 1.3558178324073624
Energy: 1.3938171775899995
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Energy: 1.4933348709451806
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Energy: 1.3622272556661033
Energy: 1.5411362133795112
Energy: 1.5404677079471667
Energy: 1.366991521592213
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Energy: 1.5656061762024935
Energy: 1.5965800577968952
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Energy: 1.3576811835976825
Energy: 1.3251167790742646
Energy: 1.5562802867403251
Energy: 1.4235705181948388
Energy: 1.4819375141273368
Energy: 1.481268479352201
Energy: 1.3982474020758917
Energy: 1.3556423486790352
Energy: 1.363774125803743
Energy: 1.3786455279173215
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Energy: 1.3473070812324315
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Energy: 1.5460598844142066
Energy: 1.4784812773744853
Energy: 1.3717627509778063
Energy: 1.3571914550746973

minimum gb energy = 1.3143524103073716 eV
minimum distance =  2.2921133898295 Angstroms
sigma value = 219


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

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Energy: 1.293578204214202
Energy: 1.3376573266830443
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Energy: 1.3079008303642947
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Energy: 1.2724753063764573
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Energy: 1.296523272400653
Energy: 1.3034029131594633
Energy: 1.2707022805257169
Energy: 1.274756596512047
Energy: 1.3262822166237704
Energy: 1.3254659280123762

minimum gb energy = 1.2707022805257169 eV
minimum distance =  2.30399856994096 Angstroms
sigma value = 15


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

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Energy: 1.5100369361311092
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minimum gb energy = 1.4420681530251163 eV
minimum distance =  2.273375997012 Angstroms
sigma value = 293


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

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Energy: 1.4794812709869412
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Energy: 1.556254719090096
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Energy: 1.5108471164689892
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Energy: 1.5396385938000325
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Energy: 1.5510980341595955
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Energy: 1.5774857937987534
Energy: 1.578030634079667
Energy: 1.4932378646824527
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Energy: 1.5363203633824067
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Energy: 1.5224384482921374
Energy: 1.5427558183277323
Energy: 1.5224376607363093
Energy: 1.5462889677765754
Energy: 1.6125025091751086
Energy: 1.572304032918467
Energy: 1.50209843475319
Energy: 1.5194648584128225
Energy: 1.5022141468206167
Energy: 1.636024896332423
Energy: 1.5709413653200834
Energy: 1.5279518989232364
Energy: 1.5556432841865746
Energy: 1.5282863690661723
Energy: 1.5121573225539098
Energy: 1.5411769197435075
Energy: 1.57292277057483
Energy: 1.5535514791929843
Energy: 1.6522574324588253
Energy: 1.5593134811735248
Energy: 1.4853615057696616
Energy: 1.4515445815993013
Energy: 1.5166909391827352
Energy: 1.5288858277415487
Energy: 1.6166434075890868
Energy: 1.489292113076627
Energy: 1.4746662825591794
Energy: 1.5079504211703252
Energy: 1.5403731261001383
Energy: 1.4925995909889658
Energy: 1.5723063162627422
Energy: 1.4636998703303437
Energy: 1.4514145202555249
Energy: 1.5123803428241092
Energy: 1.4528049954670423
Energy: 1.5060544239003895
Energy: 1.492324047522851
Energy: 1.5081192387813196
Energy: 1.4943727473943584
Energy: 1.5776960119087555
Energy: 1.6364893625743575
Energy: 1.553457586246939
Energy: 1.5313928995550983
Energy: 1.5200311733650649
Energy: 1.4516461771671954
Energy: 1.4701227814705244
Energy: 1.4916923903527668
Energy: 1.5294132659082866
Energy: 1.550431961407428
Energy: 1.5755052234628617
Energy: 1.5496553900927865
Energy: 1.4542770192105718
Energy: 1.533596396712945
Energy: 1.5666179544855545
Energy: 1.4533238452323638
Energy: 1.4686093462004064
Energy: 1.469124089948975
Energy: 1.520857817597699
Energy: 1.4957878130886078
Energy: 1.5437180732165348
Energy: 1.527961101840194

minimum gb energy = 1.4299244307400272 eV
minimum distance =  2.26497402395526 Angstroms
sigma value = 293


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

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Energy: 1.5887453907860696
Energy: 1.3288286010538695
Energy: 1.3257578984761584
Energy: 1.3284504015161513
Energy: 1.5236242849739952
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Energy: 1.3505741130646616
Energy: 1.3286517486882197
Energy: 1.584728897957879
Energy: 1.2235501493373635
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Energy: 1.4273909777016534
Energy: 1.3309974480844922
Energy: 1.3279335461598596
Energy: 1.5191187760108886
Energy: 1.4320227252018587
Energy: 1.3278652371369706
Energy: 1.3281183823686542
Energy: 1.4244706583538416
Energy: 1.4245783615468215
Energy: 1.4301684939013246
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Energy: 1.3329665156912724
Energy: 1.3287805171164042
Energy: 1.3269008581337798
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Energy: 1.522632923044135
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Energy: 1.520437409331592
Energy: 1.5231734045030054
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Energy: 1.3286989008665826
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Energy: 1.3503664253202203
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Energy: 1.351087292700196
Energy: 1.3280271009612445
Energy: 1.428476554311127
Energy: 1.428378092668542
Energy: 1.327955266882456
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Energy: 1.3303119586956629
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Energy: 1.582798893183455
Energy: 1.5831123129566884
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Energy: 1.3517464794447098
Energy: 1.426639975830027
Energy: 1.3216638383634403
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Energy: 1.5222365681965622
Energy: 1.3250690582525642
Energy: 1.3295686367966895
Energy: 1.2194299622655722
Energy: 1.3294627091234248
Energy: 1.3260935053902534
Energy: 1.371446032214057
Energy: 1.588888087653459
Energy: 1.4272965480311013
Energy: 1.42995569389006
Energy: 1.3298227689028885
Energy: 1.4229253917882443
Energy: 1.329958902369761
Energy: 1.3517734595224364
Energy: 1.3515998189142688
Energy: 1.3275496880542488
Energy: 1.5821189847296124
Energy: 1.3712346989980688
Energy: 1.3231887428149387
Energy: 1.329414102470919
Energy: 1.3268843922715094
Energy: 1.3290051808131533
Energy: 1.3334061079941584
Energy: 1.4287640294316284
Energy: 1.431068244437421
Energy: 1.3301669904756002
Energy: 1.326084638728736
Energy: 1.4284731844919485
Energy: 1.5434214129716974
Energy: 1.426286966628216
Energy: 1.522100867247978
Energy: 1.524464855169963
Energy: 1.4248887787247815
Energy: 1.3267913430202993
Energy: 1.3220127572922327
Energy: 1.3514995648124932
Energy: 1.4201896186620933
Energy: 1.5223576713118858
Energy: 1.353298982284206
Energy: 1.3261772174435067
Energy: 1.4262721636506233
Energy: 1.4276496772065406
Energy: 1.32898516833062
Energy: 1.3282551011899268
Energy: 1.43019189482325
Energy: 1.3478420297637181
Energy: 1.3275056910269052
Energy: 1.3270338568020559
Energy: 1.3714520231556244
Energy: 1.5804682838128172
Energy: 1.3293789802869616
Energy: 1.427794341300209
Energy: 1.4029610924117673
Energy: 1.3273759051505967
Energy: 1.3221710593363492
Energy: 1.3528096796835003
Energy: 1.4265013910115916
Energy: 1.423360931730212
Energy: 1.2251672009726886
Energy: 1.3555234024605045
Energy: 1.5420988731629044
Energy: 1.328058124198114
Energy: 1.4933110044376097
Energy: 1.4277004553013548
Energy: 1.4303668039252133
Energy: 1.3476276944765588
Energy: 1.3298042011607196
Energy: 1.327115214007545
Energy: 1.4270490596952998
Energy: 1.5409445920346942
Energy: 1.2219442231421689
Energy: 1.4255412701010275
Energy: 1.5212943673985089
Energy: 1.519801496262901
Energy: 1.326452791545832
Energy: 1.322871118010198
Energy: 1.3289383813217697
Energy: 1.424250526701713
Energy: 1.4286963606730294
Energy: 1.3349418190865097

minimum gb energy = 1.219020603846417 eV
minimum distance =  2.35441067169612 Angstroms
sigma value = 15


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

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Energy: 1.4644066440067216
Energy: 1.4770423516682194
Energy: 1.4544030393434093
Energy: 1.4366125590035907
Energy: 1.4624943725497408
Energy: 1.4367432084820073
Energy: 1.434604266492776
Energy: 1.472184613669756
Energy: 1.495174238049096
Energy: 1.4816185066497856
Energy: 1.5629679752933294
Energy: 1.476909997112452
Energy: 1.4364020242429765
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Energy: 1.4241033326173693
Energy: 1.5517831604886345
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Energy: 1.5102748818083553
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Energy: 1.4643178965800883
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Energy: 1.4706552530465062
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Energy: 1.4887090665878155
Energy: 1.4878461178249731
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Energy: 1.4958456052367048
Energy: 1.5833787119192593
Energy: 1.5528160972356915
Energy: 1.5500489867100227
Energy: 1.4352023924868338
Energy: 1.451411570596129
Energy: 1.486449621445427
Energy: 1.4656301465719361
Energy: 1.4332630952371288
Energy: 1.4263367777368057
Energy: 1.472435266405209
Energy: 1.5036244321345555
Energy: 1.5510277773644614
Energy: 1.5535999688284376
Energy: 1.4634300435233207
Energy: 1.4352003048926267
Energy: 1.4390322247177394
Energy: 1.4497020784728538
Energy: 1.4263659428967874
Energy: 1.4328389310228353
Energy: 1.4649118707191
Energy: 1.465692693805842
Energy: 1.4695772055352498
Energy: 1.4593520493115866
Energy: 1.4744882517704188
Energy: 1.4545277235535001
Energy: 1.4370010664746427
Energy: 1.4668849872376
Energy: 1.4322388958995955
Energy: 1.422818121526787
Energy: 1.422869379540935
Energy: 1.5533686632271035
Energy: 1.3998369297355195
Energy: 1.4619312676253842
Energy: 1.4751602576406486
Energy: 1.4253112425664782
Energy: 1.4822973350125173
Energy: 1.4710044023019844
Energy: 1.4237368816226805
Energy: 1.4322029455241745
Energy: 1.4512836173427843
Energy: 1.5615003355664785
Energy: 1.518436031607569
Energy: 1.5242235878695847
Energy: 1.5604874684232148
Energy: 1.4567186321706125
Energy: 1.4746456070877905
Energy: 1.4667465610638923
Energy: 1.475323832187373
Energy: 1.4700763877462404
Energy: 1.403435654466554
Energy: 1.6324020698613333
Energy: 1.5987505499856471
Energy: 1.5612797696150926
Energy: 1.5793243317958727
Energy: 1.537000363114014
Energy: 1.45606125764247
Energy: 1.4644861222374241
Energy: 1.6242685299751656
Energy: 1.5343197276084506
Energy: 1.5072259812528002
Energy: 1.4336612910620896
Energy: 1.4349145465037478
Energy: 1.5712549072609439
Energy: 1.4715089397448573
Energy: 1.4712891493652005
Energy: 1.4607519212043025
Energy: 1.4634625127289307
Energy: 1.4769468013011262
Energy: 1.469408287720378
Energy: 1.508111396244906
Energy: 1.4673140704929708
Energy: 1.531598772084739
Energy: 1.5624032154595213
Energy: 1.5164450113807983
Energy: 1.5152503007806495
Energy: 1.6235744741340816
Energy: 1.457236088538429
Energy: 1.5241801610597994
Energy: 1.5252728624332965
Energy: 1.5299309657052298
Energy: 1.5105478429473225
Energy: 1.4593214391582794
Energy: 1.5430726112318955
Energy: 1.5107109314311498
Energy: 1.5255676677292707
Energy: 1.5619282712172742
Energy: 1.4953338122724253
Energy: 1.5003236598926608
Energy: 1.4769139775393865
Energy: 1.4973559398234824
Energy: 1.520438705210892
Energy: 1.4557310312530116
Energy: 1.4848423574230896
Energy: 1.4842627720577581
Energy: 1.4290531352733595
Energy: 1.4927999535045928
Energy: 1.496330363299739
Energy: 1.5244138357177095
Energy: 1.5246311029993942
Energy: 1.4589835378210212
Energy: 1.5608390100879375
Energy: 1.5249995914405305
Energy: 1.5094442338821725
Energy: 1.5112885272748342
Energy: 1.5295622340817443
Energy: 1.5252913397397574
Energy: 1.506906458742176
Energy: 1.5476366270940056
Energy: 1.4762185538143417
Energy: 1.466976219579379
Energy: 1.5804771920401448
Energy: 1.5158921716655955
Energy: 1.5103722761204885
Energy: 1.5188180032075502
Energy: 1.5210697556264086
Energy: 1.5112938608812976
Energy: 1.527984903044358
Energy: 1.5459268906780106
Energy: 1.6259824220639472
Energy: 1.6243781097520893
Energy: 1.4971779164772783
Energy: 1.4712863263482634
Energy: 1.469204813135569
Energy: 1.5163258469707934
Energy: 1.4402191170388885
Energy: 1.4451179550151252
Energy: 1.4333927509946023
Energy: 1.6316624118489937
Energy: 1.4831267199722225
Energy: 1.4672093912844943
Energy: 1.4582620788337046
Energy: 1.4575757571558818
Energy: 1.5932261393347025
Energy: 1.5424196921621363
Energy: 1.4724104164728111
Energy: 1.6318858313038827
Energy: 1.4504397109996034
Energy: 1.4395049606257322
Energy: 1.4364315409495279
Energy: 1.4544727414203318
Energy: 1.4746589895157673
Energy: 1.4561034086994473
Energy: 1.5630651195635048
Energy: 1.7035662105581075
Energy: 1.5158056878922366
Energy: 1.5451544811755462
Energy: 1.4619645408520558
Energy: 1.4228574239342255
Energy: 1.4200854576837807
Energy: 1.4676179032032197
Energy: 1.4848427370463706
Energy: 1.40232911192619
Energy: 1.4721875756364715
Energy: 1.4758531405750386
Energy: 1.5215029546732317
Energy: 1.5501874952025978
Energy: 1.4644967753722995
Energy: 1.4343856126877153
Energy: 1.4367825706732646
Energy: 1.477294541462635
Energy: 1.4595909014354123
Energy: 1.4607060178668967
Energy: 1.482172148256269
Energy: 1.4719050332158545
Energy: 1.5687760321478132
Energy: 1.46022770655511
Energy: 1.5016134063957152
Energy: 1.4258337268936545
Energy: 1.4345216476615705
Energy: 1.4665051145523975
Energy: 1.4376776070171977
Energy: 1.4345147068077964
Energy: 1.4539429683910308
Energy: 1.550825469115982
Energy: 1.4964184227214343
Energy: 1.517477169105043
Energy: 1.4963285901137113
Energy: 1.4864519264442353
Energy: 1.4293241318018053
Energy: 1.481222224200233
Energy: 1.4872380582395317
Energy: 1.4501040026338103
Energy: 1.4362740319324216
Energy: 1.5496748341222355
Energy: 1.516518555048255
Energy: 1.5164877692918193
Energy: 1.4296705041068365
Energy: 1.4953997209653653
Energy: 1.4891348043753294
Energy: 1.4875303487020015
Energy: 1.4925358713262018
Energy: 1.497653185397787
Energy: 1.657116269456475
Energy: 1.6569760452741162
Energy: 1.4978915662624084
Energy: 1.5507128222462367
Energy: 1.427830409885654
Energy: 1.4790992045557887
Energy: 1.4770890686435953
Energy: 1.473221138873441
Energy: 1.568786325926601
Energy: 1.5209293001818287
Energy: 1.5576603260057411
Energy: 1.4354862086675917
Energy: 1.450671969545243
Energy: 1.5094613382985194
Energy: 1.4517991379282973
Energy: 1.554458105882784
Energy: 1.5522538582127001
Energy: 1.5186089181077207
Energy: 1.4725786085501336
Energy: 1.464915148749226
Energy: 1.5478597248195636
Energy: 1.5548880729074392
Energy: 1.5063782431936785
Energy: 1.5887849970705208
Energy: 1.4419015894425666
Energy: 1.4369976984875616
Energy: 1.5520552756238062
Energy: 1.4668959682797396
Energy: 1.57026417540845
Energy: 1.5717198380170299
Energy: 1.5796213230871186
Energy: 1.551008876081363
Energy: 1.493436389959719
Energy: 1.5876763716531896
Energy: 1.4775751091636795
Energy: 1.4710974618756112
Energy: 1.5441071426018325
Energy: 1.4989085721773823
Energy: 1.46823929052205
Energy: 1.4687508661202704
Energy: 1.5053173480529103
Energy: 1.4530229924629028
Energy: 1.5699854344161515
Energy: 1.478995775024977
Energy: 1.5519210544241322
Energy: 1.5462375809378617
Energy: 1.435350835929767
Energy: 1.4721705276629113
Energy: 1.4864051316592373
Energy: 1.4887462928896622
Energy: 1.4872517286565152
Energy: 1.4629529301908037
Energy: 1.4982377723464924
Energy: 1.553365807889177
Energy: 1.519121632551029
Energy: 1.5508234363824582
Energy: 1.4620033443562606
Energy: 1.4350450903294494
Energy: 1.4387872416881033
Energy: 1.4640245167601336
Energy: 1.4341853667109143
Energy: 1.436607623127281
Energy: 1.4880438439515367
Energy: 1.5082988828387334
Energy: 1.4541950922842641
Energy: 1.4546715652986193
Energy: 1.4746524632724844
Energy: 1.4544705534412643
Energy: 1.4369603295913351
Energy: 1.4696324017435258
Energy: 1.4259744462519575
Energy: 1.4344497519508987
Energy: 1.4662536710649754
Energy: 1.4723307165962563

minimum gb energy = 1.39847130540723 eV
minimum distance =  2.28554175762346 Angstroms
sigma value = 437


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

Energy: 1.6908736142930492
Energy: 1.4038343360478858
Energy: 1.451701686613409
Energy: 1.4394610223082855
Energy: 1.4548869993827271
Energy: 1.458088218208674
Energy: 1.4789405101017787
Energy: 1.4518858490712643
Energy: 1.464572401845151
Energy: 1.4309769450558505
Energy: 1.513515725489694
Energy: 1.4470589702325671
Energy: 1.4587010318916442
Energy: 1.4521189394659202
Energy: 1.450744857223952
Energy: 1.4147811358049285
Energy: 1.4506918944817369
Energy: 1.4573732412637306
Energy: 1.4545124793544686
Energy: 1.4415687359868559
Energy: 1.4576941076870258
Energy: 1.4300696022604382
Energy: 1.4418746697876685
Energy: 1.4424865382129481
Energy: 1.4384417546509107
Energy: 1.4649108631306662
Energy: 1.4666237139650804
Energy: 1.4556231177139343
Energy: 1.438331125904997
Energy: 1.4407808303960699
Energy: 1.5000855843989653
Energy: 1.4519541891921641
Energy: 1.4384833307512082
Energy: 1.4370236275051502
Energy: 1.4615899275158908
Energy: 1.4273532458197538
Energy: 1.4259277116165217
Energy: 1.4161900439580313
Energy: 1.4059542607467626
Energy: 1.4138764124063967
Energy: 1.4544155835014265
Energy: 1.4486322597155254
Energy: 1.4472871686998832
Energy: 1.4176639872502401
Energy: 1.4767785900986536
Energy: 1.4805544409491096
Energy: 1.4581466539004975
Energy: 1.4420547372806602
Energy: 1.5856078098937796
Energy: 1.4484746167276987
Energy: 1.433822106253648
Energy: 1.5702874139881777
Energy: 1.4301748487383714
Energy: 1.608262446582677
Energy: 1.454751546983174
Energy: 1.4294288881797734
Energy: 1.450230924755814
Energy: 1.4795398909992798
Energy: 1.442585630048008
Energy: 1.4302859461430308
Energy: 1.4033288101191097
Energy: 1.4389056878680913
Energy: 1.4476795206301694
Energy: 1.4389479809698331
Energy: 1.4409686786436788
Energy: 1.4275272865378617
Energy: 1.478777301092664
Energy: 1.4792871959173948
Energy: 1.5001294076809408
Energy: 1.4532138721689574
Energy: 1.4035388950908796
Energy: 1.4161391399982184
Energy: 1.4446768656184428
Energy: 1.4532990970736448
Energy: 1.4407378126667065
Energy: 1.4263541552721317
Energy: 1.485166379740892
Energy: 1.4590026176124335
Energy: 1.461732084174537
Energy: 1.4034485412950932
Energy: 1.443461570327881
Energy: 1.4340170264740935
Energy: 1.4556969598180176
Energy: 1.5839386363658075
Energy: 1.45258393092952
Energy: 1.4296167873669041
Energy: 1.449793434398693
Energy: 1.4505296444872398
Energy: 1.4409009623001723
Energy: 1.5699464360938638
Energy: 1.4581926003502494
Energy: 1.4310030975314056
Energy: 1.581619104831403
Energy: 1.4346546868668821
Energy: 1.4356883736675385
Energy: 1.4502937391987707
Energy: 1.4375246499949883
Energy: 1.4178370342573265
Energy: 1.4253060874894887
Energy: 1.4482415188068811
Energy: 1.4170150336928988
Energy: 1.445949537020961
Energy: 1.4515916854917164
Energy: 1.4173291261138032
Energy: 1.4613380727034937
Energy: 1.4280835855738847
Energy: 1.4802456487054583
Energy: 1.4447984158942548
Energy: 1.4058947798990233
Energy: 1.4392394007510396
Energy: 1.452506886532855
Energy: 1.4536846623627988
Energy: 1.4340234186005114
Energy: 1.4987099837539086
Energy: 1.457474373664407
Energy: 1.4322665663797751
Energy: 1.4295334937115605
Energy: 1.4426178964352043
Energy: 1.4430019052165897
Energy: 1.4390603645695237
Energy: 1.4321406039110418
Energy: 1.4407374967820326
Energy: 1.4318582623788256
Energy: 1.5698249268520053
Energy: 1.4410161493946458
Energy: 1.4264282273513407
Energy: 1.4538005527527256
Energy: 1.4805225317002797
Energy: 1.4578313915747276
Energy: 1.434371942217423
Energy: 1.427021520809136
Energy: 1.435504300199838
Energy: 1.45116369655174
Energy: 1.439221119834128
Energy: 1.452094162421495
Energy: 1.4385411290140766
Energy: 1.4821501323277386
Energy: 1.4533045050713065
Energy: 1.4147732650492473
Energy: 1.4029660446545684

minimum gb energy = 1.4029660446545684 eV
minimum distance =  2.31118845411758 Angstroms
sigma value = 33