Model name: model_name=EAM_Dynamo_AcklandBaconCalder_1997_Fe__MO_142799717516_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.8664999604225163
cohesive_energy=4.316339488656242
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[3.71738624797314e-25, 1.0098695563531739e-19, 2.0339311933303198e-19, 2.8320074182584e-19, 3.4680715419563997e-19, 3.9942263485619994e-19, 4.44084910705584e-19, 4.8259162392714e-19, 5.1578071290045e-19, 5.44768894739412e-19, 5.70257922809718e-19, 5.924833170765659e-19, 6.117062323312979e-19, 6.28200640778328e-19, 6.4222449285573e-19, 6.540309324716759e-19, 6.638602861212659e-19, 6.71911223707116e-19, 6.783631890122339e-19, 6.83371593170118e-19, 6.870758255479259e-19, 6.895944472165739e-19, 6.910380083638079e-19, 6.914994352343999e-19, 6.91001158301226e-19, 6.89358927251376e-19, 6.863228025299459e-19, 6.8160599451945e-19, 6.748736483033819e-19, 6.657332306064119e-19, 6.537265189112159e-19, 6.383135796921359e-19, 6.1885674664884e-19, 5.945885771736419e-19, 5.64643895884182e-19, 5.28127086042054e-19, 4.83974302362282e-19, 4.30894190477862e-19, 3.6731501511084e-19, 2.9107063345204797e-19, 1.9898873576616598e-19, 8.675834538409019e-20, -5.0077312436977196e-20, -2.18701917070902e-19, -4.3073717716772996e-19, -7.002761588354519e-19, -1.044590326188588e-18, -1.4863809199542838e-18, -2.0578516904759397e-18, -2.8102498595686797e-18, -3.86034846902496e-18, -5.41740780901152e-18, -7.87740583462146e-18, -1.2039235880866199e-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: 0.016212314314969584
Energy: 0.01674472384697494
Energy: 1.9652204602599066
Energy: 0.01699352279289632
Energy: 0.016848237975252353
Energy: 1.7724378977433415
Energy: 0.01656506723588625
Energy: 0.01681705214327767
Energy: 0.21119519920084404
Energy: 0.4409245648661971
Energy: 0.17215005789133847
Energy: 0.43974193361561564
Energy: 0.20959332840674866
Energy: 0.17235874148849414
Energy: 0.17241585244014504
Energy: 0.20929289720433966
Energy: 0.20960484473460061
Energy: 0.1722243100915583
Energy: 0.43996156011648496
Energy: 0.2096003652559474
Energy: 0.1718329009922244
Energy: 0.17280066270381259
Energy: 0.4415827802939121
Energy: 0.21062308805893262
Energy: 0.172424758374804
Energy: 0.17314070196018622
Energy: 0.21013795549801761
Energy: 0.1725397963350795
Energy: 0.1720178417671994
Energy: 0.20984886783746498
Energy: 0.44067362035703234
Energy: 0.1721392086728888
Energy: 0.43961571876688516
Energy: 0.20929874087091527
Energy: 0.17280678361080332
Energy: 0.01658510010267253
Energy: 0.20926907852087093
Energy: 0.44076950432340634
Energy: 0.017070569889161866
Energy: 0.017297586887046988
Energy: 0.20970502871171137
Energy: 0.17215884681290258

minimum gb energy = 0.016212314314969584 eV
minimum distance =  2.45239377487333 Angstroms
sigma value = 5


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

Energy: 2.6118466880260933
Energy: 1.531271209428358
Energy: 1.6109972361079787
Energy: 1.4812210102418293
Energy: 1.4690071175483095
Energy: 1.5142334292020634
Energy: 1.5295481748203266
Energy: 1.4925135357761226
Energy: 1.448221759678405
Energy: 1.599176941363503
Energy: 1.4828600699003383
Energy: 1.5508700850562696
Energy: 1.5279711427094687
Energy: 1.4909279362865588
Energy: 1.4602179309110255
Energy: 1.4963519907540592
Energy: 1.5308616501346974
Energy: 1.468150937952775
Energy: 1.5270598677412663
Energy: 1.5291967950135954
Energy: 1.466328386683572
Energy: 1.4543259764285092
Energy: 1.5237153758519644
Energy: 1.520310732010494
Energy: 1.4871045571345378
Energy: 1.492746985717801
Energy: 1.5220569252459464
Energy: 1.484316698276616
Energy: 1.4536449675189083
Energy: 1.4983840610900017
Energy: 1.5225606042252062
Energy: 1.4772873534483963
Energy: 1.5208062571063385
Energy: 1.5254005312460777
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Energy: 1.4879230656885636
Energy: 1.466542304943395
Energy: 1.4681306635685303
Energy: 1.5181436418765302
Energy: 1.5228719229842267
Energy: 1.4611666607444582
Energy: 1.5027571802263266
Energy: 1.498922217401812
Energy: 1.4717868152165918
Energy: 1.4603441222386948
Energy: 1.530134479735372
Energy: 1.5357248310641993
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Energy: 1.5004879683648085
Energy: 1.4997078187676591
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Energy: 1.4643132593978734
Energy: 1.518655535173982
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Energy: 1.447351815867016
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Energy: 1.4711760874752078
Energy: 1.4117559933250015
Energy: 1.441060609334835
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Energy: 1.3984758406922375
Energy: 1.4912068703334609
Energy: 1.53352984417661
Energy: 1.5843410204770205
Energy: 1.4637663496089388
Energy: 1.4354929542555954
Energy: 1.4022815245764666
Energy: 1.5682822892020254
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Energy: 1.483341064892405
Energy: 1.5302897671280904
Energy: 1.4739344941222774
Energy: 1.5729705597201014
Energy: 1.585846801106662
Energy: 1.4877440245823585
Energy: 1.4915071470282584
Energy: 1.4065609263110432
Energy: 1.4153513505827697
Energy: 1.4411371435199483
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Energy: 1.5752175701355235
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Energy: 1.5337576542123716
Energy: 1.4719187375285372
Energy: 1.4095890721667697
Energy: 1.4313121261827881
Energy: 1.4695433604474604
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Energy: 1.4783160628779421
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Energy: 1.490540166900999
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Energy: 1.5099369540411534
Energy: 1.4262752527688174
Energy: 1.5570563907771247
Energy: 1.621112602841602
Energy: 1.476468990976629
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Energy: 1.5437697934607189
Energy: 1.5770468323125093
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Energy: 1.5532579143294183
Energy: 1.6167916325887706
Energy: 1.6244739729568958
Energy: 1.5527493023230579
Energy: 1.6109867117585885
Energy: 1.4255245323887447
Energy: 1.4304917989393706
Energy: 1.4612642405464673
Energy: 1.4966970335626661
Energy: 1.4264565831584828
Energy: 1.4561000823735815
Energy: 1.5131515795496717
Energy: 1.4129632070951708
Energy: 1.4342629777880982
Energy: 1.4529108316836696
Energy: 1.4739745602563559
Energy: 1.4355690872708327
Energy: 1.4483997631915624
Energy: 1.4457307802401775
Energy: 1.4156316340217947
Energy: 1.4669296250849195
Energy: 1.4682318741790408
Energy: 1.4262477470316148
Energy: 1.4262153625261145
Energy: 1.4630179722435288
Energy: 1.4285899153994912
Energy: 1.4678717463515365
Energy: 1.5438391018878694
Energy: 1.485669849854592
Energy: 1.552045529904651
Energy: 1.5658864136653057
Energy: 1.4584428177273463
Energy: 1.5631199332962322
Energy: 1.4561507899123154
Energy: 1.5175559533304912
Energy: 1.5014931357482642
Energy: 1.4490073171086368
Energy: 1.4764347939265772
Energy: 1.4965978586510182
Energy: 1.4685395153493694
Energy: 1.4531520052742588
Energy: 1.5203357810703755
Energy: 1.5107118892553264
Energy: 1.4809044747978943
Energy: 1.4842497992560562
Energy: 1.5177421960643973
Energy: 1.463682516268394
Energy: 1.472823899238417
Energy: 1.5308118236930817
Energy: 1.5787126049136118
Energy: 1.4685341382738801
Energy: 1.5539368345647095
Energy: 1.5823459825997035
Energy: 1.4773602744055954
Energy: 1.5097344470589051
Energy: 1.5978087440315005
Energy: 1.5203074632026992
Energy: 1.5279351834502768
Energy: 1.5274953056787244
Energy: 1.6159032487705658
Energy: 1.576475461414374

minimum gb energy = 1.3831657695926796 eV
minimum distance =  2.29932867544883 Angstroms
sigma value = 401


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

Energy: 2.258400068787917
Energy: 1.927951501902134
Energy: 2.058033167381727
Energy: 1.4107162570055571
Energy: 1.4172491393075246
Energy: 1.454345192767256
Energy: 1.9408715839458883
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Energy: 1.5891932909169026
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Energy: 1.4712587929263627
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Energy: 1.6169407683168235
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Energy: 1.5625341851124523
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Energy: 1.4935550742986816
Energy: 1.6267948029769557
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Energy: 1.4049572849101433
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Energy: 1.6314542646207097
Energy: 1.418410075860435
Energy: 1.4184774087106995
Energy: 1.5878790507190332
Energy: 1.502027939064166
Energy: 1.5491163949502684
Energy: 1.5057272505822068
Energy: 1.6357359280464798
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Energy: 1.6412747857780408
Energy: 1.5595181881649318
Energy: 1.5317869847601053
Energy: 1.5847117242172666
Energy: 1.6995987088866538
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Energy: 1.549898829686265
Energy: 1.7082898591214133
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Energy: 1.596550329514238
Energy: 1.5695500124526178
Energy: 1.6959089738560456
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Energy: 1.7048230010961392
Energy: 1.6221238367755955
Energy: 1.6665131924389291
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Energy: 1.5893300661004972
Energy: 1.6656153603758712
Energy: 1.6782005911131093
Energy: 1.5851752168009963
Energy: 1.6657143176590374
Energy: 1.6736489510461994
Energy: 1.5487743714736675
Energy: 1.5646667958810976
Energy: 1.6793137490228667
Energy: 1.6988414739442879
Energy: 1.5507549290720943
Energy: 1.627851093671447
Energy: 1.6448914525247618
Energy: 1.5649937388037647
Energy: 1.5685779499176316
Energy: 1.6720426552426826
Energy: 1.6842121447989797
Energy: 1.5645521776972984
Energy: 1.6415193244616526
Energy: 1.5510213993135398
Energy: 1.482106243318061
Energy: 1.524698915331455
Energy: 1.5629164840346759
Energy: 1.5749695568715107
Energy: 1.570583228865228
Energy: 1.5962414693599358
Energy: 1.6524266121832116
Energy: 1.4789329023808426
Energy: 1.5720053156844245
Energy: 1.6616366048244469
Energy: 1.5422623549641425
Energy: 1.9261411078994124
Energy: 1.5979029435498269
Energy: 1.604030147722533
Energy: 1.5573161014182768
Energy: 1.5722367467056468
Energy: 1.5520917896531838
Energy: 1.5571135926250856
Energy: 1.5984971328297133
Energy: 1.5622264512925785
Energy: 1.7198100883734977
Energy: 1.6019230461097171
Energy: 1.6061348611067736
Energy: 1.6431422120771813
Energy: 1.7332026242226188
Energy: 1.593163924329637
Energy: 1.636923136152245
Energy: 1.7146608402452486
Energy: 1.6044783027299458
Energy: 1.61571066364849
Energy: 1.7005791230471254
Energy: 1.7140910489029186
Energy: 1.6138870759760433
Energy: 1.6839227718146834
Energy: 1.6984720063544485
Energy: 1.596837946136915
Energy: 1.596144940188128
Energy: 1.6374416007022219
Energy: 1.7218127595741108
Energy: 1.5967405878344327
Energy: 1.6331331272142031
Energy: 1.5518068082630292
Energy: 1.5214610918624787
Energy: 1.5501055084351094
Energy: 1.5515854619550182
Energy: 1.5032046685706832
Energy: 1.5486030982113093
Energy: 1.5443123071508034
Energy: 1.512075081395151
Energy: 1.5038370423576652
Energy: 1.5623192505518009
Energy: 1.5323568560442031
Energy: 1.5073931914645984
Energy: 1.5462101708283795
Energy: 1.5189711120901013
Energy: 1.5147342373844261
Energy: 1.5217848491443164
Energy: 1.559575129321155
Energy: 1.525687088500222
Energy: 1.4869170440620183
Energy: 1.5603289750152995
Energy: 1.529165451180289
Energy: 1.4511512967860059
Energy: 1.5834880903781667
Energy: 1.605731020251308
Energy: 1.452058943494922
Energy: 1.4616163005865632
Energy: 1.5925205168456544
Energy: 1.5785572292471424
Energy: 1.5868843131836554
Energy: 1.4891624448103808
Energy: 1.5669657781649682
Energy: 1.446459446008414
Energy: 1.4705002510104535
Energy: 1.667611737795788
Energy: 1.6498324700299385
Energy: 1.4485003586745526
Energy: 1.4245317707029608
Energy: 1.5524827190512187
Energy: 1.4502083755347188
Energy: 1.445293655089469
Energy: 1.5937102214318801
Energy: 1.5875955641714348
Energy: 1.4665980448345297
Energy: 1.4226909266440935
Energy: 1.5235852451741274
Energy: 1.4185884722951512
Energy: 1.4189814084638424
Energy: 1.4448796855024142
Energy: 1.4511684738239676

minimum gb energy = 1.4049572849101433 eV
minimum distance =  2.28766644306006 Angstroms
sigma value = 311


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

Energy: 1.7247818801039412
Energy: 1.692901149754449
Energy: 1.526825442434165
Energy: 1.543350001228077
Energy: 1.5892664319819085
Energy: 1.7848457633865284
Energy: 1.7509666275601132
Energy: 1.544493911627038
Energy: 1.6055475453029917
Energy: 1.6070498152659314
Energy: 1.567084442448602
Energy: 1.529552219070599
Energy: 1.6237422898524128
Energy: 1.5771646985773744
Energy: 1.5484843378781141
Energy: 1.5675965059710038
Energy: 1.5820642866652754
Energy: 1.6374255674481248
Energy: 1.5338822426574188
Energy: 1.5787681221898295
Energy: 1.567228301630546
Energy: 1.6425903814877554
Energy: 1.5263422952445047
Energy: 1.5609777802356393
Energy: 1.6431528331387264
Energy: 1.6651136741117474
Energy: 1.5475043924074736
Energy: 1.5496836275353436
Energy: 1.6141632285211718
Energy: 1.53667192480464
Energy: 1.5876097497477277
Energy: 1.6047738612749722
Energy: 1.5986897118936205
Energy: 1.5716516456602552
Energy: 1.5468417079375147
Energy: 1.6655647708729395
Energy: 1.678182543908423
Energy: 1.6780579175384769
Energy: 1.5506019001158364
Energy: 1.5384409522825848
Energy: 1.5723676958769872
Energy: 1.7110448878258557
Energy: 1.6842616552990166
Energy: 1.659240987079613
Energy: 1.6805816062472607
Energy: 1.6913804962928574
Energy: 1.6727401304533565
Energy: 1.6675332291569518
Energy: 1.6944044751004474
Energy: 1.5870649883785781
Energy: 1.530150462137805
Energy: 1.528661911552543
Energy: 1.5632877750698848
Energy: 1.532908922958837
Energy: 1.5297542702128455
Energy: 1.5691390953243376
Energy: 1.5722197401602749
Energy: 1.5616361795038416
Energy: 1.5476571148177998
Energy: 1.6084074885606756
Energy: 1.5571821352777768
Energy: 1.5512079188776202
Energy: 1.6189404402554457
Energy: 1.5459561976745482
Energy: 1.6221646417882452
Energy: 1.5807790039069631
Energy: 1.6352150121335083
Energy: 1.5753756019628822
Energy: 1.5823339746078344
Energy: 1.5681211190963331
Energy: 1.5061341089534948
Energy: 1.50487749550491
Energy: 1.5093917491016773
Energy: 1.5973147891749142
Energy: 1.5031127660395056
Energy: 1.5217143230123777
Energy: 1.6007518030841934
Energy: 1.6685718689403801
Energy: 1.480576971201798
Energy: 1.6949874430582408
Energy: 1.7056525570496004
Energy: 1.6558364594556874
Energy: 1.6852559180478226
Energy: 1.6726412988809711
Energy: 1.670850197064021
Energy: 1.4797162580401761
Energy: 1.3958271510495361
Energy: 1.4726539363493074
Energy: 1.4726764789590772
Energy: 1.6679411184123822
Energy: 1.6829935325282868
Energy: 1.528395661752065
Energy: 1.5061394356402964
Energy: 1.5197439263656496
Energy: 1.545213372825995
Energy: 1.504254892129793
Energy: 1.5137260057263937
Energy: 1.531763703840142
Energy: 1.5469358284582793
Energy: 1.5820865325134776
Energy: 1.5713490743947582
Energy: 1.5417691695019602
Energy: 1.5179878696722435
Energy: 1.5718005982513776
Energy: 1.5223155296698443
Energy: 1.5919134261407
Energy: 1.7279864065986652
Energy: 1.4655055775075663
Energy: 1.536841487966332
Energy: 1.549172880338012
Energy: 1.6546796447639043
Energy: 1.4928574500066725
Energy: 1.5865442374056296
Energy: 1.6305858786925134
Energy: 1.5665362511697203
Energy: 1.567572821758418
Energy: 1.5561180893678035
Energy: 1.6196215915209315
Energy: 1.5554656757368632
Energy: 1.6571065592729677
Energy: 1.5662011501386504
Energy: 1.6715842300035961
Energy: 1.6561066371480442
Energy: 1.566861676153656
Energy: 1.7120698672535686
Energy: 1.675922281882232
Energy: 1.545290817042826
Energy: 1.7411612794497493
Energy: 1.7101102647415738
Energy: 1.671610088532093
Energy: 1.6911506686790538
Energy: 1.7019780926381007
Energy: 1.6776542761121187
Energy: 1.556903567532264
Energy: 1.5002389405682397
Energy: 1.4901078061237794
Energy: 1.5073534923894254
Energy: 1.5075896447026222
Energy: 1.4996569104643727
Energy: 1.4679570744598307
Energy: 1.5892182621170783
Energy: 1.5476426143085065
Energy: 1.698193997723764
Energy: 1.43880423291447
Energy: 1.4624037110463712
Energy: 1.5652336928436092
Energy: 1.6640943367250731
Energy: 1.589505856411121
Energy: 1.442693594564389
Energy: 1.4330806803357594
Energy: 1.4956934196365204
Energy: 1.456808558348431
Energy: 1.6145342209782003
Energy: 1.6068012780304928
Energy: 1.6117781772381494
Energy: 1.4383513132691936
Energy: 1.4359842422635645
Energy: 1.4801659680115962
Energy: 1.4820799268153588
Energy: 1.473992443125094
Energy: 1.599683493530707
Energy: 1.703077680616501
Energy: 1.6260322393787183
Energy: 1.6826055729581202
Energy: 1.5466668005198487
Energy: 1.647263477453012
Energy: 1.5535560025180384
Energy: 1.661655173599408
Energy: 1.6972488550350933
Energy: 1.4819509745990795
Energy: 1.6616202308178587
Energy: 1.387199735616718
Energy: 1.4821878139959501
Energy: 1.3933707381729838
Energy: 1.5314563902994092
Energy: 1.6142386664969481
Energy: 1.4745045065786615
Energy: 1.436142374019425
Energy: 1.4384522508657696
Energy: 1.4746971206632895
Energy: 1.4744600827555243
Energy: 1.5102606685552034
Energy: 1.4686830419699264
Energy: 1.437876860263325
Energy: 1.430107454832652
Energy: 1.48477800717051
Energy: 1.4621986853331963
Energy: 1.482619570785984
Energy: 1.6034831612141416
Energy: 1.5474339748657164
Energy: 1.5218720131381622
Energy: 1.673726427970649
Energy: 1.3967377567989134
Energy: 1.384352464295392
Energy: 1.496748803227097
Energy: 1.6707902793687601
Energy: 1.5696926225135799
Energy: 1.50501730302058
Energy: 1.449776749984614
Energy: 1.5115814604959923
Energy: 1.4981025177982226
Energy: 1.4525471846400428
Energy: 1.486380446908422
Energy: 1.6929672744249458
Energy: 1.6990209664030673
Energy: 1.7079018807950612
Energy: 1.7188958174814357
Energy: 1.6985722215363486
Energy: 1.699638151806802
Energy: 1.706045830375246
Energy: 1.550850487676063
Energy: 1.5486059816403006
Energy: 1.706266970271484
Energy: 1.56700440315644
Energy: 1.6604921508683457
Energy: 1.6824124822841264
Energy: 1.550850145782084
Energy: 1.552808849505372
Energy: 1.554815125727444
Energy: 1.5218850748278396
Energy: 1.4960034901737345
Energy: 1.5572937278164736
Energy: 1.5168314207833293
Energy: 1.4991237566485645
Energy: 1.7182437812058036
Energy: 1.6099506718198329
Energy: 1.5386171738978422
Energy: 1.607822351844009
Energy: 1.6350311207139685
Energy: 1.599249186398487
Energy: 1.5373224907176508
Energy: 1.5847554852790728
Energy: 1.6068547867217255
Energy: 1.5749779412578468
Energy: 1.5841897933868283
Energy: 1.6182959156727577
Energy: 1.5880200178013102
Energy: 1.5780016420199188
Energy: 1.5769742883517954
Energy: 1.5679641682425143
Energy: 1.565030931803478
Energy: 1.5550011394698886
Energy: 1.5500835361478837
Energy: 1.550981985391104
Energy: 1.5603365439509091
Energy: 1.718703098427816
Energy: 1.6710621803658139
Energy: 1.7497499747087073
Energy: 1.6955141237268632
Energy: 1.4421515241689158
Energy: 1.7201053499494168
Energy: 1.7510824803560943

minimum gb energy = 1.384352464295392 eV
minimum distance =  2.25268764747147 Angstroms
sigma value = 39


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

Energy: 1.7650613485839222
Energy: 1.72632879440706
Energy: 1.6581579511132154
Energy: 1.5010410255861
Energy: 1.728077876356542
Energy: 1.6419436760655304
Energy: 1.727653594764696
Energy: 1.5001991885386994
Energy: 1.5415863703936699
Energy: 1.5107009835236895
Energy: 1.5378883278058868
Energy: 1.522448284705462
Energy: 1.4846500325137477
Energy: 1.5480414653878325
Energy: 1.538261852979902
Energy: 1.4498408090681099
Energy: 1.486580722633433
Energy: 1.5379380829547318
Energy: 1.548226712443351
Energy: 1.4834326705186593
Energy: 1.5547373397385678
Energy: 1.54649005812641
Energy: 1.3792956150277376
Energy: 1.4970417108975536
Energy: 1.5697920153276297
Energy: 1.5233562564844874
Energy: 1.3883611981942492
Energy: 1.5139686901041869
Energy: 1.5697010596921994
Energy: 1.4495651758306645
Energy: 1.4874486767886987
Energy: 1.4877152670527627
Energy: 1.4499173032753332
Energy: 1.4824098627171718
Energy: 1.4883154149075721
Energy: 1.5452378063232206
Energy: 1.4376141917459322
Energy: 1.4711389630316791
Energy: 1.4777157748882046
Energy: 1.4393162852928725
Energy: 1.4747245674627736
Energy: 1.4774704747117735
Energy: 1.4925871588942319
Energy: 1.4321207190023784
Energy: 1.4757678125703266
Energy: 1.5720475378042669
Energy: 1.5158120911525206
Energy: 1.4381508706652828
Energy: 1.4772937993562252
Energy: 1.5236059117457308
Energy: 1.5405839200105158
Energy: 1.4836655609810123
Energy: 1.5234616761527877
Energy: 1.5408616446569592
Energy: 1.4545992546300248
Energy: 1.4971654374970353
Energy: 1.5221121092236058
Energy: 1.5216808319556503
Energy: 1.483253822138639
Energy: 1.5202574714638388
Energy: 1.521744561894423
Energy: 1.4831348105159714
Energy: 1.5338869204606027
Energy: 1.5219657290574473
Energy: 1.521897382925163
Energy: 1.6671382176838863
Energy: 1.554112746643455
Energy: 1.5217833089890411
Energy: 1.6196231274001684
Energy: 1.5610167838329256
Energy: 1.5242253949799036
Energy: 1.5422165279029147
Energy: 1.5103300559438928
Energy: 1.5584128526439964
Energy: 1.5423615216604614
Energy: 1.5109570559995482
Energy: 1.5490969690465095
Energy: 1.5427928266809274
Energy: 1.5413415493197562
Energy: 1.5377460754258638
Energy: 1.5563684387205394
Energy: 1.5528660852783802
Energy: 1.508340155929108
Energy: 1.538235090584297
Energy: 1.5888402482074604
Energy: 1.540362311212635
Energy: 1.5875785986511723
Energy: 1.7049678313078347
Energy: 1.569595379636896
Energy: 1.4400753311875343
Energy: 1.6628241807106703
Energy: 1.5380009627355833
Energy: 1.5481304437006953
Energy: 1.5403049537249025
Energy: 1.5374737147130708
Energy: 1.5554705482364954
Energy: 1.509596748226409
Energy: 1.5376479733688446
Energy: 1.5004328298815424
Energy: 1.5218711719592806
Energy: 1.6649199533016752
Energy: 1.5480494756036822
Energy: 1.5216426861393204
Energy: 1.6636173785163384
Energy: 1.5482910428510461
Energy: 1.7255732078485615
Energy: 1.5232772615300558
Energy: 1.510308614249561
Energy: 1.7260567411515806
Energy: 1.7265191228744854
Energy: 1.4831868253075562
Energy: 1.7361576790060425
Energy: 1.543035693772065
Energy: 1.5416177660174535
Energy: 1.5107656294370264
Energy: 1.5378204306719292
Energy: 1.5403934153310044
Energy: 1.484726874870579
Energy: 1.5480171649613366
Energy: 1.5383424005817339
Energy: 1.4495214993648688
Energy: 1.4867933250993313
Energy: 1.5380374136525095
Energy: 1.5481179552640194
Energy: 1.4834148045428808
Energy: 1.5546327780222
Energy: 1.5465789311571412
Energy: 1.380499484989941
Energy: 1.496122616419162
Energy: 1.5695676167797892
Energy: 1.5234053563416465
Energy: 1.3881446169885479
Energy: 1.4953188785588236
Energy: 1.5694140683780098
Energy: 1.4494222445945715
Energy: 1.4876172399754644
Energy: 1.4876573695199482
Energy: 1.4494785863409685
Energy: 1.4827692004060766
Energy: 1.4885023467230623
Energy: 1.5452417472140088
Energy: 1.4375144449464685
Energy: 1.4708222875930275
Energy: 1.4789673882606122
Energy: 1.4388850257824435
Energy: 1.4755981466369927
Energy: 1.477432603557603
Energy: 1.492886818759491
Energy: 1.431206865740637
Energy: 1.4760071066123923
Energy: 1.5721642147901762
Energy: 1.5158633110256359
Energy: 1.4381394569052737
Energy: 1.477979774221612
Energy: 1.523749137676092
Energy: 1.5405345289988541
Energy: 1.4836760692345683
Energy: 1.5233495184109693
Energy: 1.540572650503176
Energy: 1.45410977190415
Energy: 1.4970063128613227
Energy: 1.5212406623040897
Energy: 1.5217027715529452
Energy: 1.482571177994197
Energy: 1.520239445079286
Energy: 1.5211981724471435
Energy: 1.483139776805747
Energy: 1.5207404651516678
Energy: 1.5208803754483438
Energy: 1.5218982964175536
Energy: 1.6671655792283302
Energy: 1.5542450531747465
Energy: 1.521542567730499
Energy: 1.6195254843086508
Energy: 1.560863293540967
Energy: 1.525496026270347
Energy: 1.5422035732850683
Energy: 1.5106160339692298
Energy: 1.5582484758887392
Energy: 1.541781273398032
Energy: 1.510949290991192
Energy: 1.5500922262712313
Energy: 1.5289685008572278
Energy: 1.5410898519744658
Energy: 1.5377109736973296
Energy: 1.5564730657481332
Energy: 1.5525430798978643
Energy: 1.508641233369655
Energy: 1.5465005793299085
Energy: 1.6327961837887761
Energy: 1.5400826144020514
Energy: 1.5871647428684783
Energy: 1.7061097579787694
Energy: 1.5696196027879847
Energy: 1.4396845231004587
Energy: 1.6616541865117787
Energy: 1.537794187171195
Energy: 1.5416858711559576
Energy: 1.539938004623889
Energy: 1.5373880598370382
Energy: 1.5551420725082088
Energy: 1.509791734677835
Energy: 1.5376888972503766
Energy: 1.5002654785137617
Energy: 1.521418153269864
Energy: 1.6655005830571419
Energy: 1.5481319460475766
Energy: 1.521564722862458
Energy: 1.6645614577396715
Energy: 1.5481151051819566

minimum gb energy = 1.3792956150277376 eV
minimum distance =  2.29825325628651 Angstroms
sigma value = 21


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

Energy: 1.998082570191084
Energy: 1.392031478078938
Energy: 1.3655191995889062
Energy: 1.4848878802940804
Energy: 1.582855539701007
Energy: 1.4022048632566713
Energy: 1.3921418637819534
Energy: 1.4955238241713884
Energy: 1.3816287193236454
Energy: 1.339231751349618
Energy: 1.4387987079084252
Energy: 1.4002679319900069
Energy: 1.3384979638576633
Energy: 1.4684051562308695
Energy: 1.4412455037459402
Energy: 1.3452904042659388
Energy: 1.3995173613786054
Energy: 1.4117989209528523
Energy: 1.3443543226645123
Energy: 1.3439508157697753
Energy: 1.4118050438744336
Energy: 1.4434462136749155
Energy: 1.3247257322904904
Energy: 1.3182408898180686
Energy: 1.4319624929781254
Energy: 1.3170758159328775
Energy: 1.3176973853905427
Energy: 1.411669803420915
Energy: 1.3408947243165719
Energy: 1.3333189009237838
Energy: 1.3998628276324558
Energy: 1.4106548497727762
Energy: 1.3455866989862935
Energy: 1.3173105594186327
Energy: 1.4115855549297118
Energy: 1.3149995702815165
Energy: 1.3459028327830957
Energy: 1.3699026973731565
Energy: 1.3796701447199926
Energy: 1.3146292726528839
Energy: 1.3462387244741025
Energy: 1.341368235775968
Energy: 1.3041605548794994
Energy: 1.3368324971991794
Energy: 1.2640446239500431
Energy: 1.4003411245278705
Energy: 1.3366625109634476
Energy: 1.3251932385608824
Energy: 1.353736144098374
Energy: 1.2589402587580896
Energy: 1.304167918806123
Energy: 1.3872994991278562
Energy: 1.311420594977732
Energy: 1.3034841541137137
Energy: 1.3844616833668286
Energy: 1.298210109196016
Energy: 1.3027945767247255
Energy: 1.3033137704697637
Energy: 1.3029489516557475
Energy: 1.3332599641576162
Energy: 1.3035695614771574
Energy: 1.3262478088015968
Energy: 1.3454102556319787
Energy: 1.2355735292445666
Energy: 1.2314433084687642
Energy: 1.3795373661743322
Energy: 1.2906254062119324
Energy: 1.2323100095468098
Energy: 1.4079258636240266
Energy: 1.2868256455743903
Energy: 1.288205964127114
Energy: 1.3413376119793843
Energy: 1.2804313124269155
Energy: 1.32903711045498
Energy: 1.340708569501715
Energy: 1.2800192204845118
Energy: 1.3320108351376911
Energy: 1.3338008318351162
Energy: 1.2801920906392503
Energy: 1.340919256094987
Energy: 1.3308810241996603
Energy: 1.2801836884097946
Energy: 1.342247244043836
Energy: 1.331980508790725
Energy: 1.305569928154714
Energy: 1.2312779223662536
Energy: 1.2348822462499212
Energy: 1.290666019236502
Energy: 1.4075401066310196
Energy: 1.2323712141669982
Energy: 1.291417705444022
Energy: 1.336772612266161
Energy: 1.2320333120381701
Energy: 1.2314328083251564
Energy: 1.2836991145928347
Energy: 1.3265907793952405
Energy: 1.2309760937650271
Energy: 1.2350307661542337
Energy: 1.352621890156002
Energy: 1.3257695390494026
Energy: 1.302952233711649
Energy: 1.3330146778757954
Energy: 1.3260768361498032
Energy: 1.3035583451380766
Energy: 1.3116607418137876
Energy: 1.3494579056741096
Energy: 1.3268345156413606
Energy: 1.3378108857493671
Energy: 1.4007871761590218
Energy: 1.325812152074894
Energy: 1.3365447740151422
Energy: 1.3128275704256014
Energy: 1.3593913844969119
Energy: 1.325583945585106
Energy: 1.303914330725529
Energy: 1.3911299495556748
Energy: 1.3051775339734026
Energy: 1.3380461938518682
Energy: 1.3108116200759945
Energy: 1.411651703590172
Energy: 1.3428543311490235
Energy: 1.3141796724616268
Energy: 1.421882054712627
Energy: 1.4001515152283381
Energy: 1.3456537582843722
Energy: 1.4123600197331214
Energy: 1.4127544607781828
Energy: 1.3181081073113043
Energy: 1.3589297004441319
Energy: 1.411946369956134
Energy: 1.3178211660998462
Energy: 1.3341485477824875
Energy: 1.3916508910618737
Energy: 1.411209290782252
Energy: 1.3702517555262248
Energy: 1.347081562828793
Energy: 1.454213624223362
Energy: 1.3992131762456248
Energy: 1.3451412051070788
Energy: 1.4545102946764197
Energy: 1.4113073608162596
Energy: 1.3446037081634634
Energy: 1.3813003910573025
Energy: 1.484991286088112
Energy: 1.3993144260275276
Energy: 1.34646685781981
Energy: 1.4847338356293098
Energy: 1.442314223277137
Energy: 1.317202687032704
Energy: 1.4843571778235467
Energy: 1.4845667928364406
Energy: 1.3201375175786414
Energy: 1.3916495598619696
Energy: 1.4845600294137855
Energy: 1.481904999042223
Energy: 1.3198434012131743
Energy: 1.496003882468285
Energy: 1.3464246533760853
Energy: 1.3212552976040939
Energy: 1.3174705252252628
Energy: 1.4849283840645515
Energy: 1.4810158263188828
Energy: 1.3445877025395814
Energy: 1.3821710149306485
Energy: 1.4839264338047438
Energy: 1.3447505269601023
Energy: 1.3435049641489412
Energy: 1.485072610321651
Energy: 1.495603793731826
Energy: 1.3704326084988985
Energy: 1.3810450545396058
Energy: 1.4844602062812131
Energy: 1.483552305505586
Energy: 1.33871392681539
Energy: 1.485171205543259

minimum gb energy = 1.2309760937650271 eV
minimum distance =  2.28895667961206 Angstroms
sigma value = 113


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

Energy: 1.9894352327995697
Energy: 1.221433054537389
Energy: 1.30335072170151
Energy: 1.36135898438201
Energy: 1.3574992298304953
Energy: 1.3045111347785805
Energy: 1.1476836893916942
Energy: 1.3274436827181832
Energy: 1.2550793141438394
Energy: 1.233786810542547
Energy: 1.2303928535421658
Energy: 1.325087288000797
Energy: 1.2349296218256889
Energy: 1.258611291958596
Energy: 1.2901507143725208
Energy: 1.2493770171709568
Energy: 1.2246717081362593
Energy: 1.2572517310376963
Energy: 1.2367902031095148
Energy: 1.2349626313353388
Energy: 1.2488887183132462
Energy: 1.193153891151743
Energy: 1.2197739505136487
Energy: 1.1867575396434127
Energy: 1.1708587288754677
Energy: 1.1673861693309568
Energy: 1.1871902505479552
Energy: 1.2722298778832728
Energy: 1.1699111560448556
Energy: 1.207974584549186
Energy: 1.2239486437815832
Energy: 1.258700406927557
Energy: 1.2033489930155963
Energy: 1.1934633304493096
Energy: 1.2457280963532518
Energy: 1.178930922294806
Energy: 1.2339601684744905
Energy: 1.2214927090701875
Energy: 1.2092639940983472
Energy: 1.2129534668540287
Energy: 1.2404717551145088
Energy: 1.196807591223904
Energy: 1.1783115573070515
Energy: 1.295876373035588
Energy: 1.1606616990020786
Energy: 1.173568954891298
Energy: 1.2152699969650558
Energy: 1.2161723673098122
Energy: 1.1738950829107393
Energy: 1.1790543171603072
Energy: 1.1619593938346389
Energy: 1.1599385315036335
Energy: 1.135276280034932
Energy: 1.1712412919857518
Energy: 1.2180997006357006
Energy: 1.1463734066685396
Energy: 1.181807854216998
Energy: 1.1628928092986954
Energy: 1.1764184177599246
Energy: 1.1683830166548987
Energy: 1.198428958295995
Energy: 1.1759582276434444
Energy: 1.1725838706099436
Energy: 1.114816504384742
Energy: 1.1566217531918708
Energy: 1.1792168504339189
Energy: 1.1581434730231228
Energy: 1.1592827482233297
Energy: 1.2280205189793614
Energy: 1.1623935434549955
Energy: 1.1602929812492238
Energy: 1.1672107142407857
Energy: 1.152042574414978
Energy: 1.1504893109287384
Energy: 1.1506225839862712
Energy: 1.1518138656813857
Energy: 1.1929456157769938
Energy: 1.2018458583884315
Energy: 1.16362479394401
Energy: 1.1550550907940362
Energy: 1.1931074775493218
Energy: 1.1796946249294264
Energy: 1.1565943868690154
Energy: 1.185976060241027
Energy: 1.1892806750562237
Energy: 1.150098194526646
Energy: 1.134177930574077
Energy: 1.1680886784266036
Energy: 1.164028778622003
Energy: 1.12467413518285
Energy: 1.1527291314797303
Energy: 1.1831719142229402
Energy: 1.106418116692518
Energy: 1.1298484871840508
Energy: 1.1667052468227883
Energy: 1.147408453182895
Energy: 1.0849099586776052
Energy: 1.1522905288425225
Energy: 1.1566159013753092
Energy: 1.1756960751407253
Energy: 1.1431730108030125
Energy: 1.1735502404953628
Energy: 1.1643644101069357
Energy: 1.1464428185452054
Energy: 1.1812307661688946
Energy: 1.1378812668804221
Energy: 1.150114239623816
Energy: 1.1183332608108076
Energy: 1.1567591803129855
Energy: 1.1474499513721146
Energy: 1.1178987374424239
Energy: 1.1407954579728508
Energy: 1.1425981319838405
Energy: 1.14726242430968
Energy: 1.1159297200862972
Energy: 1.1558878822949268
Energy: 1.1462704576327267
Energy: 1.1150841242977996
Energy: 1.1429811525461862
Energy: 1.1532504414156683
Energy: 1.1393771027097641
Energy: 1.1681367431953105
Energy: 1.1523041459107566
Energy: 1.1460046628180593
Energy: 1.166981232129498
Energy: 1.1519861454794216
Energy: 1.1523918497694818
Energy: 1.1407520777653941
Energy: 1.1346410741133415
Energy: 1.1419978383773188
Energy: 1.1420811720866346
Energy: 1.1979018720155465
Energy: 1.1498520007892334
Energy: 1.1115859370929997
Energy: 1.1040346312277516
Energy: 1.1975804301778896
Energy: 1.1051412060632742
Energy: 1.102911222463009
Energy: 1.2004101237669622
Energy: 1.1022431402518702
Energy: 1.1449860796948181
Energy: 1.1289375073080372
Energy: 1.1805885157711815
Energy: 1.1425689556111664
Energy: 1.1475479986493162
Energy: 1.1933793393832515
Energy: 1.1383602897181522
Energy: 1.1558001196981902
Energy: 1.152496317714048
Energy: 1.1643803446027001
Energy: 1.1427151007877827
Energy: 1.1413071921731037
Energy: 1.16079015631417
Energy: 1.1393729046047707
Energy: 1.1157403144903024
Energy: 1.1439459493712716
Energy: 1.1082747079402995
Energy: 1.148365504932245
Energy: 1.159768944411866
Energy: 1.1073275895145571
Energy: 1.148403161145802
Energy: 1.172091175811979
Energy: 1.1673136219156688
Energy: 1.1420419356899296
Energy: 1.1701335474972097
Energy: 1.1752579295720904
Energy: 1.1335687667225172
Energy: 1.168532726114728
Energy: 1.1720094277814166
Energy: 1.1564276477861526
Energy: 1.1485170035397196
Energy: 1.168177587667547
Energy: 1.172751113848221
Energy: 1.1374585752143984
Energy: 1.1697082866080029
Energy: 1.1545194026927525
Energy: 1.1471574889361815
Energy: 1.1294247429694995
Energy: 1.1438373562854671
Energy: 1.1456335471042114
Energy: 1.1276808861449714
Energy: 1.144152961668219
Energy: 1.157321249423381
Energy: 1.15100471251857
Energy: 1.1330334904111181
Energy: 1.1767468607311837
Energy: 1.1633276677062927
Energy: 1.1321235234686557
Energy: 1.162001536747814
Energy: 1.1792140086200207
Energy: 1.1753534067047902
Energy: 1.1446510110824082
Energy: 1.1851023201201725
Energy: 1.178921418421122
Energy: 1.1586191224867899
Energy: 1.1737420954198607
Energy: 1.1387123507710422
Energy: 1.1361286631305616
Energy: 1.17391427415685
Energy: 1.1442050769556837
Energy: 1.1352630864630922
Energy: 1.2118338753412368
Energy: 1.1450473485172967
Energy: 1.1443817903030729
Energy: 1.1441472547823934
Energy: 1.2153109587751956
Energy: 1.1469200512848188
Energy: 1.1391036932108511
Energy: 1.2198616576856538
Energy: 1.1536354653810856
Energy: 1.1775503290808365
Energy: 1.1854104855248055
Energy: 1.2431015111741464
Energy: 1.159585099309959
Energy: 1.172936635073214
Energy: 1.205943941363453
Energy: 1.1685132587725546
Energy: 1.1709045122574908
Energy: 1.1775565041069533
Energy: 1.2019647585727997
Energy: 1.1679040533593288
Energy: 1.1699915022061758
Energy: 1.1777738657048078
Energy: 1.176346921423773
Energy: 1.1754182073631847
Energy: 1.2085645202259339
Energy: 1.2022918327661285
Energy: 1.2300821946004388
Energy: 1.20405888238132
Energy: 1.1841448342545167
Energy: 1.2233707791207877
Energy: 1.1693261737938738
Energy: 1.239352754396287
Energy: 1.213927978950275
Energy: 1.235004850063406
Energy: 1.1829806229838278
Energy: 1.213068598545409
Energy: 1.2324888379031025
Energy: 1.236981192426588
Energy: 1.2279573953516982
Energy: 1.2117261832941728
Energy: 1.1976136011221945
Energy: 1.2191377197920483
Energy: 1.2136143617449255
Energy: 1.240426048091047
Energy: 1.212188132984431
Energy: 1.258166699529771
Energy: 1.2233917728818635
Energy: 1.170334894583366
Energy: 1.262025789456148
Energy: 1.2237600010577145
Energy: 1.2382121918010436
Energy: 1.2899927323995029
Energy: 1.243429892576002
Energy: 1.2242826663822468
Energy: 1.246226015981311
Energy: 1.235131691888956
Energy: 1.2255275740186538
Energy: 1.2299144520214902
Energy: 1.3318449565394985
Energy: 1.263189321704651
Energy: 1.2129624032772413
Energy: 1.228206638768858
Energy: 1.2631268564324507
Energy: 1.233388343114705
Energy: 1.2759291626250955
Energy: 1.339355108128096
Energy: 1.3899724355564604
Energy: 1.2158645722289223
Energy: 1.286627862223197
Energy: 1.2635372789821018
Energy: 1.2122145127678068
Energy: 1.1750347275431732
Energy: 1.3296765147667844
Energy: 1.2868137408185523
Energy: 1.2317479522833645
Energy: 1.3305470277376243
Energy: 1.325349386663352
Energy: 1.2318205828061801
Energy: 1.2566011483924737
Energy: 1.2645902619373968
Energy: 1.2806444073764307
Energy: 1.3402509793990574
Energy: 1.2572789603181238
Energy: 1.2644648412736206
Energy: 1.2127273048290692
Energy: 1.3218755371851039
Energy: 1.1928209123776259
Energy: 1.3244994476515517
Energy: 1.326648443980855
Energy: 1.1946938277492654
Energy: 1.223863019878924
Energy: 1.3264643195858479
Energy: 1.3207724775742344
Energy: 1.289449189394081
Energy: 1.2524306042768332
Energy: 1.2763610976982913
Energy: 1.2774936907626109
Energy: 1.2662767539685775
Energy: 1.2188326075469726
Energy: 1.2566848104203094
Energy: 1.3276034372891343
Energy: 1.2906797490788517
Energy: 1.281083809019633
Energy: 1.329912348313443
Energy: 1.324736053513456
Energy: 1.2304315976129747
Energy: 1.2565543534566983
Energy: 1.3393237052046103
Energy: 1.2653739643617934
Energy: 1.2105007414452205
Energy: 1.2577723527914264
Energy: 1.2577950260354478
Energy: 1.2106691163880525
Energy: 1.147180862134921

minimum gb energy = 1.0849099586776052 eV
minimum distance =  2.29740302517048 Angstroms
sigma value = 365


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

Energy: 1.464720507395916
Energy: 1.3554233860060225
Energy: 1.3558908035679091
Energy: 1.3567286826613645
Energy: 1.5135308507656713
Energy: 1.3566448931157609
Energy: 1.3556836716617562
Energy: 1.3560797444176171
Energy: 0.43355163756046816
Energy: 0.4330959287605993
Energy: 0.4325747079269399
Energy: 0.43249262709223296
Energy: 0.4328016970555716
Energy: 0.433440039430845
Energy: 0.4499189607622921
Energy: 0.43362361620116735
Energy: 0.4331449882573106
Energy: 0.43290403420978907
Energy: 0.43263418909176854
Energy: 0.43278343037289196
Energy: 0.433190257192911
Energy: 1.3554828543362023
Energy: 1.313444131488704
Energy: 1.3548397461559505
Energy: 1.3586296380858434
Energy: 1.3663818083468893
Energy: 1.3556407667753874
Energy: 1.3542512733587406
Energy: 1.355534143575961
Energy: 1.3149911906183902
Energy: 1.3162292915813292
Energy: 1.3179713906921235
Energy: 1.3684220421201851
Energy: 1.3168969123413437
Energy: 1.3168693398306437
Energy: 0.4497148796429079
Energy: 0.43334955199513403
Energy: 0.4331020862399307
Energy: 0.43272931127156267
Energy: 0.4326681589536251
Energy: 0.43274520236126196
Energy: 0.433045247105413
Energy: 1.354867592855546
Energy: 1.3150263026146745
Energy: 1.3557015856626151
Energy: 1.3677436304086632
Energy: 1.368125088532105
Energy: 1.3581467606509328
Energy: 1.3149741057477626
Energy: 1.3561619225775285
Energy: 1.3146465442079427
Energy: 1.354971655307835
Energy: 1.3660802004993375
Energy: 1.3678404724306459
Energy: 1.3574130037996504
Energy: 1.3154058214896722
Energy: 0.44933266390728144
Energy: 0.4333206366226263
Energy: 0.43289577119177325
Energy: 0.43277808402967166
Energy: 0.4327403826353924
Energy: 0.43293675314290336
Energy: 0.4332232199584079
Energy: 1.3560112121195675
Energy: 1.3158625693389467
Energy: 1.317750183445824
Energy: 1.3175528854637264
Energy: 1.3166224886331659
Energy: 1.317530066377221
Energy: 1.3165142618203292
Energy: 1.3566668765418255
Energy: 1.3125479986579807
Energy: 1.355123887810516
Energy: 1.3575661553997185
Energy: 1.3669838135836025
Energy: 1.3549892055197474
Energy: 1.354923877115372
Energy: 0.44980452845096036
Energy: 0.433494638002404
Energy: 0.4329831289359088
Energy: 0.4327248636739326
Energy: 0.4327582112064085
Energy: 0.4329258441283242
Energy: 0.43336974870570033
Energy: 0.4494459517299316
Energy: 0.4335622384344612
Energy: 0.4331274514528311
Energy: 0.43276867441348293
Energy: 0.43260865886628225
Energy: 0.43288056335136244
Energy: 0.4332759217821566
Energy: 1.3564703854480926
Energy: 1.3130594405047524
Energy: 1.355271308239488
Energy: 1.3555323391398153
Energy: 1.3721183091326927
Energy: 1.3553453634738502
Energy: 1.3549434667388849
Energy: 1.3563936274726398
Energy: 1.355174128830288
Energy: 1.3171185335099216
Energy: 0.43259481291127005
Energy: 0.4325196272137959
Energy: 0.43281597631723506
Energy: 1.3556491216166926
Energy: 0.4498630889844898
Energy: 0.43347113717178476
Energy: 0.43315423221524146
Energy: 0.4328265365255151
Energy: 0.4326687830972358
Energy: 0.4328939878376361
Energy: 0.4331797424634547
Energy: 1.3569882196927774
Energy: 1.3143499246721835
Energy: 1.3549177097467957
Energy: 1.3574248827802537
Energy: 1.3670924340921364
Energy: 1.3559477692575947
Energy: 1.3541231758965033
Energy: 1.3554425029514936
Energy: 1.3159347239660704
Energy: 1.3158609984190612
Energy: 1.3675480105011535
Energy: 1.3685377403130206
Energy: 1.3168973109351092
Energy: 1.316135734201918
Energy: 0.44957732738209544
Energy: 0.43338467883158216
Energy: 0.433117241807658
Energy: 0.4328061417842129
Energy: 0.4326615693028391
Energy: 0.4328119908850926
Energy: 0.4329812714313997
Energy: 1.3563736063371643
Energy: 1.31555306010116
Energy: 1.3159855246701702
Energy: 1.367940157211443
Energy: 1.3678254383005444
Energy: 1.3584703001717473
Energy: 1.3157692537329522

minimum gb energy = 0.43249262709223296 eV
minimum distance =  2.39483370894448 Angstroms
sigma value = 23