Model name: model_name=EAM_Dynamo_Olsson_2009_Fe__MO_024705128470_000
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=2.870000079274177
cohesive_energy=4.280336473607806
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=[2.25653761485828e-19, 3.0661334897848197e-19, 3.58285147601616e-19, 4.0171534961945396e-19, 4.39935273223524e-19, 4.7385976127184e-19, 5.04039962526498e-19, 5.308652059095599e-19, 5.545886353291979e-19, 5.75455383810414e-19, 5.9374262791089e-19, 6.0971632895187e-19, 6.23626426488258e-19, 6.356892143656439e-19, 6.461001581333759e-19, 6.55027486338024e-19, 6.62621803583184e-19, 6.69006477469674e-19, 6.742728320656319e-19, 6.78491363142954e-19, 6.817085338240259e-19, 6.83964398524698e-19, 6.852958073075519e-19, 6.85731599352e-19, 6.8525895724497e-19, 6.837256742062319e-19, 6.809378868630719e-19, 6.76669688310096e-19, 6.70658321579328e-19, 6.62599373110308e-19, 6.521323531603859e-19, 6.388374914514539e-19, 6.222197154036059e-19, 6.016894240155299e-19, 5.765432617449e-19, 5.45906440149552e-19, 5.086766617052939e-19, 4.63442408797572e-19, 4.0839322182996596e-19, 3.4118832074020195e-19, 2.58740311154562e-19, 1.5694409610141118e-19, 3.02820996885804e-20, -1.28690031596148e-19, -3.30142915025406e-19, -5.881558379881319e-19, -9.226166190421679e-19, -1.362593548858176e-18, -1.95427097108784e-18, -2.77492186478898e-18, -3.9607568786777395e-18, -5.7693579502023e-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: -1e-07 eV

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

Energy: 0.016039576060444115
Energy: 0.016359830618668546
Energy: 1.8472187398548539
Energy: 0.016708260408119003
Energy: 0.01657153808665278
Energy: 1.678163553836974
Energy: 0.016224310471568526
Energy: 0.017156183252267084
Energy: 0.21545614374555275
Energy: 0.4282720924827098
Energy: 0.17419740235907674
Energy: 0.21560151638406325
Energy: 0.2145292462117336
Energy: 0.17413656967925562
Energy: 0.17416773878148872
Energy: 0.21458366685956914
Energy: 0.21429762410578815
Energy: 0.17422510498967128
Energy: 0.17392890960751178
Energy: 0.21460579009863276
Energy: 0.1741344775396042
Energy: 0.17451555034025254
Energy: 0.21429404164918603
Energy: 0.21555206282775136
Energy: 0.17421871760042687
Energy: 0.17469852008456355
Energy: 0.21496752962896112
Energy: 0.1739331831640175
Energy: 0.1740548273832546
Energy: 0.2147015859306986
Energy: 0.2143902699309122
Energy: 0.1749722988104008
Energy: 0.4275320358529697
Energy: 0.21431976840179484
Energy: 0.1751205939292749
Energy: 0.016445863504923403
Energy: 0.21428513351525494
Energy: 0.42743771415457066
Energy: 0.01689915958946824
Energy: 0.017150218053804255
Energy: 0.21474359520565897
Energy: 0.1740198487251271

minimum gb energy = 0.016039576060444115 eV
minimum distance =  2.45510620560196 Angstroms
sigma value = 5


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

Energy: 2.4777215517395104
Energy: 1.314278322195029
Energy: 1.5468189878028695
Energy: 1.387888159875179
Energy: 1.3175134007069702
Energy: 1.4750374407097355
Energy: 1.3138841467255866
Energy: 1.3342463335877432
Energy: 1.3240363306648424
Energy: 1.3945611773383388
Energy: 1.4449708144802085
Energy: 1.3888352902960235
Energy: 1.387121618346831
Energy: 1.3740721440898926
Energy: 1.3644172756789599
Energy: 1.4086205648314243
Energy: 1.4022292772257712
Energy: 1.372354606806575
Energy: 1.3646228481143454
Energy: 1.401019371657114
Energy: 1.3724005610699486
Energy: 1.3650093697666301
Energy: 1.4267488257058922
Energy: 1.4026961840310515
Energy: 1.3857399736198468
Energy: 1.3781083773215417
Energy: 1.4055867045557222
Energy: 1.3710668428497577
Energy: 1.3608729703419327
Energy: 1.3229212635527792
Energy: 1.4073055814041355
Energy: 1.3816134921475938
Energy: 1.3627156218754357
Energy: 1.401681309306778
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Energy: 1.3747299589705115
Energy: 1.400051256633224
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Energy: 1.3593329540875922
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Energy: 1.4023069572265068
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Energy: 1.3650732025374597
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Energy: 1.3367419018947617
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Energy: 1.3212995307585997
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Energy: 1.3124416957873621
Energy: 1.3367450372294658
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Energy: 1.3618840503466816
Energy: 1.4159734478244748
Energy: 1.3445242757367195
Energy: 1.2992508005869652
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Energy: 1.3785648448618435
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Energy: 1.4682636731872947
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Energy: 1.3604568543535152
Energy: 1.315073979999106
Energy: 1.3214917262695323
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Energy: 1.3045781646326622
Energy: 1.3359588534822788
Energy: 1.415020053695026
Energy: 1.2973313761332719
Energy: 1.3959161532672029
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Energy: 1.317004201667459
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Energy: 1.4397927928656893
Energy: 1.3814154206465623
Energy: 1.3915371895173583
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Energy: 1.431974958988597
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Energy: 1.339311685932249
Energy: 1.3407801226039573
Energy: 1.3862205428283552
Energy: 1.3337595272240854
Energy: 1.3466229596998083
Energy: 1.3996682451549365
Energy: 1.324255061729493
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Energy: 1.3485320918972983
Energy: 1.3378001992323811
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Energy: 1.3668556472628564
Energy: 1.3501527588989235
Energy: 1.3295409680059391
Energy: 1.35044528002696
Energy: 1.3542611899117556
Energy: 1.3390721722869687
Energy: 1.3352565845638564
Energy: 1.3626706456631872
Energy: 1.3467495926262512
Energy: 1.354308113578422
Energy: 1.3911703138480511
Energy: 1.3535629907995528
Energy: 1.3702780486801163
Energy: 1.3878537804826
Energy: 1.3704978539658925
Energy: 1.365369498715428
Energy: 1.3628288315795116
Energy: 1.3831779363146195
Energy: 1.405824019558877
Energy: 1.3581223982830257
Energy: 1.3783178748967566
Energy: 1.403778442548442
Energy: 1.3719997836171065
Energy: 1.3596948466885679
Energy: 1.4063460020173375
Energy: 1.400054994716444
Energy: 1.374881385903647
Energy: 1.3629012814869437
Energy: 1.413178399648906
Energy: 1.3685467716132957
Energy: 1.3580299508172484
Energy: 1.3238819124142573
Energy: 1.397559697715746
Energy: 1.3684472051410232
Energy: 1.389080289847923
Energy: 1.377943953803561
Energy: 1.3676967230864647
Energy: 1.3373468482498956
Energy: 1.3611934246884878
Energy: 1.406624400469573
Energy: 1.3964065616128916
Energy: 1.3941310887957818
Energy: 1.4021486773988328
Energy: 1.414103841860991

minimum gb energy = 1.2851855288513685 eV
minimum distance =  2.28766641996643 Angstroms
sigma value = 401


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

Energy: 2.139929513050621
Energy: 1.4773566114334635
Energy: 1.4353066621359043
Energy: 1.4190269968619942
Energy: 1.4268265883831959
Energy: 1.4878953076039687
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Energy: 1.4901223854806862
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Energy: 1.4362600406570405
Energy: 1.3509238639480414
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Energy: 1.380643295707941
Energy: 1.4230641780600732
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Energy: 1.4673859069309427
Energy: 1.5322606306407958
Energy: 1.4451853935690169
Energy: 1.4643404791136938
Energy: 1.5422632010381
Energy: 1.573962220724919
Energy: 1.4496668672447737
Energy: 1.4492433480450262
Energy: 1.5739284614550284
Energy: 1.454220290810747
Energy: 1.446335127662557
Energy: 1.5090929630608465
Energy: 1.472705902661738
Energy: 1.4485492600527887
Energy: 1.4463542438552288
Energy: 1.3938629743759883
Energy: 1.4254641091128208
Energy: 1.4346345778574496
Energy: 1.4368712964421213
Energy: 1.390554081177673
Energy: 1.4334363800106378
Energy: 1.4544148541510444
Energy: 1.5124762372744518
Energy: 1.3772803548358161
Energy: 1.3589056422069408
Energy: 1.4073773847791133
Energy: 1.3930157795489724
Energy: 1.3575633608669406
Energy: 1.4034969259212036
Energy: 1.3852470477575627
Energy: 1.3914472767429507
Energy: 1.432962704307101
Energy: 1.4119803129491981
Energy: 1.3880818791966454
Energy: 1.4186233308065295
Energy: 1.444846967829943
Energy: 1.5693147057881072
Energy: 1.4789417211657094
Energy: 1.4461823052913299
Energy: 1.4467693437188935
Energy: 1.4854477308059806
Energy: 1.4821503349873673
Energy: 1.4464703932355443
Energy: 1.5408584754232728
Energy: 1.480124953556621
Energy: 1.4578655042230622
Energy: 1.456879837314598
Energy: 1.481707117231521
Energy: 1.4574833006527488
Energy: 1.4522189073700693
Energy: 1.5747950506078536
Energy: 1.4795639116032515
Energy: 1.4852322430353182
Energy: 1.4450649377551859
Energy: 1.487565128288981
Energy: 1.4794332511500181
Energy: 1.4527615405492267
Energy: 1.3906731412209432
Energy: 1.3939615669469967
Energy: 1.415452999546356
Energy: 1.4171504045634802
Energy: 1.3868981848695519
Energy: 1.4160250255073614
Energy: 1.4022393389530792
Energy: 1.374732547004885
Energy: 1.3777019697905903
Energy: 1.4310574189749674
Energy: 1.38739678505391
Energy: 1.3781729867765191
Energy: 1.422556941209727
Energy: 1.3769107408887609
Energy: 1.3760269451302263
Energy: 1.3697777817271224
Energy: 1.4329213176237245
Energy: 1.3927109274984018
Energy: 1.3729828123646914
Energy: 1.438949284740955
Energy: 1.385250086948807
Energy: 1.3968719585595821
Energy: 1.3949845433733907
Energy: 1.5161798493086514
Energy: 1.4011962473883077
Energy: 1.3980030398419119
Energy: 1.5122656814505355
Energy: 1.3989442665457537
Energy: 1.3956818193276332
Energy: 1.3798345412930255
Energy: 1.5352668305225832
Energy: 1.4016530120531125
Energy: 1.397957463594778
Energy: 1.4754237188406878
Energy: 1.451998665070457
Energy: 1.4012333202809204
Energy: 1.371320890997411
Energy: 1.464581313477185
Energy: 1.4039837416516816
Energy: 1.3724802137018022
Energy: 1.4898849917088517
Energy: 1.3984373787586464
Energy: 1.3993669726611644
Energy: 1.3724753687539417
Energy: 1.4371605540063366
Energy: 1.3982901915226504
Energy: 1.3994476601190486
Energy: 1.3819255277179348
Energy: 1.3890338744205593

minimum gb energy = 1.3170879822398176 eV
minimum distance =  2.26138194396986 Angstroms
sigma value = 311


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

Energy: 1.5336572241454633
Energy: 1.570352959094461
Energy: 1.540159520174429
Energy: 1.5341894439363244
Energy: 1.5442627331825964
Energy: 1.5292636246824498
Energy: 1.5657576794971066
Energy: 1.4121855706355677
Energy: 1.5039827514839772
Energy: 1.4154976088484679
Energy: 1.3859641331178052
Energy: 1.380466701277242
Energy: 1.392936033292368
Energy: 1.403671282095378
Energy: 1.5386692478550754
Energy: 1.3965270181901746
Energy: 1.4018233346739368
Energy: 1.4147360430438092
Energy: 1.3938544167445532
Energy: 1.4183044405479954
Energy: 1.4045606344396873
Energy: 1.50516443581258
Energy: 1.4991444394871507
Energy: 1.449518277744258
Energy: 1.3230302507087222
Energy: 1.3468815324210868
Energy: 1.3541118840051312
Energy: 1.469740641740575
Energy: 1.4276666715993105
Energy: 1.4187998599706069
Energy: 1.4399871436887428
Energy: 1.4288643145189373
Energy: 1.419850726782099
Energy: 1.4513500394157495
Energy: 1.390927563931801
Energy: 1.5178623080590872
Energy: 1.5666988860460307
Energy: 1.4544349112502268
Energy: 1.4073362345004332
Energy: 1.4438890187731197
Energy: 1.4401253937191403
Energy: 1.5161238328399684
Energy: 1.5407180265294527
Energy: 1.5413384620980919
Energy: 1.5409181943933135
Energy: 1.5768909099991733
Energy: 1.5526325557210838
Energy: 1.5488230862900378
Energy: 1.5744892070862622
Energy: 1.4353459893422689
Energy: 1.4587512390868367
Energy: 1.460402613720417
Energy: 1.4494710401170716
Energy: 1.4210049473379176
Energy: 1.4270530744815473
Energy: 1.465547463795085
Energy: 1.5096330168768446
Energy: 1.4028366933015868
Energy: 1.4681840235783878
Energy: 1.4235089335867865
Energy: 1.4247790159851295
Energy: 1.4266202877545364
Energy: 1.4635967532026435
Energy: 1.5107158522897286
Energy: 1.525468430494992
Energy: 1.5687005783793484
Energy: 1.4699530856653096
Energy: 1.5344349315139305
Energy: 1.5251573191191803
Energy: 1.560590130758522
Energy: 1.4359105301862898
Energy: 1.4541855833012176
Energy: 1.4582950968018518
Energy: 1.4453342929728064
Energy: 1.4451548683742963
Energy: 1.4559745178630394
Energy: 1.4405055961157436
Energy: 1.557041644665922
Energy: 1.5523307723896058
Energy: 1.560309761814591
Energy: 1.560336759581746
Energy: 1.5396962343182032
Energy: 1.5927900143947573
Energy: 1.5575405661353185
Energy: 1.5455695392066269
Energy: 1.5457072699534944
Energy: 1.3837899395466804
Energy: 1.3839401435565313
Energy: 1.3841658875529947
Energy: 1.543727933720729
Energy: 1.5425658508615019
Energy: 1.4565322565982404
Energy: 1.4364890941114359
Energy: 1.4540184188184968
Energy: 1.432829835210817
Energy: 1.4327258488398393
Energy: 1.4189112172711007
Energy: 1.4366266480906644
Energy: 1.475072599215478
Energy: 1.4385276015783586
Energy: 1.4970309824388177
Energy: 1.4328942151913882
Energy: 1.423291923706109
Energy: 1.419336249247134
Energy: 1.4681826145120156
Energy: 1.4841052534592134
Energy: 1.5142925968409755
Energy: 1.4488301296253385
Energy: 1.503870331348179
Energy: 1.4970116380389544
Energy: 1.4420402860486325
Energy: 1.468135558863008
Energy: 1.5041650055118285
Energy: 1.5165326758268547
Energy: 1.3660834879234032
Energy: 1.437741239606245
Energy: 1.492631729722977
Energy: 1.41646446061533
Energy: 1.420144104274816
Energy: 1.5755871218176594
Energy: 1.5385653035373934
Energy: 1.5459845330954325
Energy: 1.4586232181317256
Energy: 1.4657855354707683
Energy: 1.552703687053334
Energy: 1.558786713166049
Energy: 1.5540020509308663
Energy: 1.5525669068568906
Energy: 1.5585370203997662
Energy: 1.5658201670179925
Energy: 1.5631075024309558
Energy: 1.5525481615883667
Energy: 1.5469586225397545
Energy: 1.4830241840574114
Energy: 1.4225796562689856
Energy: 1.4062331888933344
Energy: 1.4176646866317302
Energy: 1.395618969339431
Energy: 1.3682293017037082
Energy: 1.4385365333498559
Energy: 1.5762051308055056
Energy: 1.548156095671154
Energy: 1.5711727513621512
Energy: 1.444105065654629
Energy: 1.409589648047207
Energy: 1.519275172517148
Energy: 1.5504516678417515
Energy: 1.5758994466048792
Energy: 1.4620306147683706
Energy: 1.4480411184748536
Energy: 1.4150248990978844
Energy: 1.4732118548292823
Energy: 1.4882111812251475
Energy: 1.5837902507645358
Energy: 1.5189394127678018
Energy: 1.4419881806191455
Energy: 1.3937338656666254
Energy: 1.4028953545116343
Energy: 1.3943038363122937
Energy: 1.4180744560404133
Energy: 1.4110362850141986
Energy: 1.608599182760789
Energy: 1.5494947946764401
Energy: 1.507102118541965
Energy: 1.3764055092253566
Energy: 1.538782158821739
Energy: 1.530172737353244
Energy: 1.4887539274175923
Energy: 1.6108498323855966
Energy: 1.3843615515264747
Energy: 1.2970492341791942
Energy: 1.3751262488659477
Energy: 1.384237160115741
Energy: 1.2966143167932813
Energy: 1.4886433773967864
Energy: 1.48991219805566
Energy: 1.397305695128809
Energy: 1.3932598285326743
Energy: 1.431678504773107
Energy: 1.389501531027819
Energy: 1.4161685853448895
Energy: 1.4090407666020701
Energy: 1.406306244609469
Energy: 1.3989804165338002
Energy: 1.4388399872318083
Energy: 1.4082677229553155
Energy: 1.411791679489696
Energy: 1.4564601042134795
Energy: 1.5783530562990713
Energy: 1.4834840633254929
Energy: 1.465202688959119
Energy: 1.539200926528446
Energy: 1.357096667489764
Energy: 1.3318615413020385
Energy: 1.470474632371817
Energy: 1.3833622023811403
Energy: 1.4443367608267892
Energy: 1.4244880102558795
Energy: 1.4541679045895355
Energy: 1.4084965716717657
Energy: 1.4047639998486297
Energy: 1.4197779389834155
Energy: 1.4777145838088397
Energy: 1.5763053835740506
Energy: 1.5559094827379478
Energy: 1.5624839192415338
Energy: 1.585322511228197
Energy: 1.5538301713274434
Energy: 1.501811124761253
Energy: 1.552086881890566
Energy: 1.565165931134666
Energy: 1.5788745369288375
Energy: 1.4692846409358291
Energy: 1.5671151073394436
Energy: 1.5616282008291549
Energy: 1.5429008026750002
Energy: 1.537118638054217
Energy: 1.390056101303142
Energy: 1.4760528342041035
Energy: 1.4307586131033991
Energy: 1.4225644963845445
Energy: 1.4245336086017288
Energy: 1.4335359601458848
Energy: 1.4026016577231486
Energy: 1.4262725137156025
Energy: 1.5872433017264778
Energy: 1.4964137606364265
Energy: 1.5927373485820522
Energy: 1.592685332614488
Energy: 1.4368145217981707
Energy: 1.4970063400907974
Energy: 1.4427226176043997
Energy: 1.4212855332376342
Energy: 1.4062194243836772
Energy: 1.3865092635698475
Energy: 1.505839324196005
Energy: 1.418361776406647
Energy: 1.4034625316993352
Energy: 1.4072864641440817
Energy: 1.5087226756729453
Energy: 1.3952551803948472
Energy: 1.3861087452068328
Energy: 1.3943254104582847
Energy: 1.3880179123442489
Energy: 1.404659989269516
Energy: 1.5324297257350272
Energy: 1.595684560777197
Energy: 1.5358895367748717
Energy: 1.5439463569727916
Energy: 1.3839881344419718
Energy: 1.4883517559597008
Energy: 1.534110987186523

minimum gb energy = 1.2966143167932813 eV
minimum distance =  2.26630776665056 Angstroms
sigma value = 39


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

Energy: 1.6495701793996391
Energy: 1.4041294995819527
Energy: 1.472007539387484
Energy: 1.4039137268148225
Energy: 1.404013108985119
Energy: 1.4433856792725812
Energy: 1.4042396462934856
Energy: 1.4023193981420947
Energy: 1.4578954238396424
Energy: 1.4403494239437054
Energy: 1.4631252282767513
Energy: 1.4836144640739828
Energy: 1.3982307036465118
Energy: 1.464448677733215
Energy: 1.4635933554458624
Energy: 1.3987514678590431
Energy: 1.3975428983294036
Energy: 1.4635339627076507
Energy: 1.494299118826183
Energy: 1.3984139049315576
Energy: 1.4798183512716643
Energy: 1.4658596994028317
Energy: 1.2669231170592459
Energy: 1.3853917180852715
Energy: 1.4965640748318243
Energy: 1.2707805339182932
Energy: 1.266958883333474
Energy: 1.4421173535224634
Energy: 1.470554590894972
Energy: 1.397814236304054
Energy: 1.3994351392122573
Energy: 1.3955214571540986
Energy: 1.3977106084339597
Energy: 1.3987216602335655
Energy: 1.3957406396183345
Energy: 1.4603020288392201
Energy: 1.3883346118578097
Energy: 1.3842930424868065
Energy: 1.3846212774350029
Energy: 1.3875704887335707
Energy: 1.3897700977507654
Energy: 1.3845178405615521
Energy: 1.4540278962732853
Energy: 1.3900345127599512
Energy: 1.3842597911284262
Energy: 1.5354560246985074
Energy: 1.4755707846362687
Energy: 1.3850291358959035
Energy: 1.383973723673558
Energy: 1.4862503417620794
Energy: 1.4576003106444275
Energy: 1.4386603701698784
Energy: 1.4537518558656524
Energy: 1.505380767150255
Energy: 1.3995559590260491
Energy: 1.5343355550674016
Energy: 1.483464878671018
Energy: 1.4830074980212256
Energy: 1.39753379348937
Energy: 1.4836169581654142
Energy: 1.4858680020413806
Energy: 1.4000900858087315
Energy: 1.4845894372736834
Energy: 1.48543813397129
Energy: 1.4832796298725404
Energy: 1.5898716563478879
Energy: 1.4837646522564454
Energy: 1.4797454829706203
Energy: 1.446251012570555
Energy: 1.510164502844294
Energy: 1.4801311947479239
Energy: 1.4452937396785175
Energy: 1.4401968389547213
Energy: 1.4822497769444631
Energy: 1.4801537564483451
Energy: 1.4402937408294747
Energy: 1.4639477334119457
Energy: 1.4804668888836823
Energy: 1.4963177946553248
Energy: 1.3975850658347084
Energy: 1.463531311310946
Energy: 1.4991184530151227
Energy: 1.4537780499094421
Energy: 1.463389316380217
Energy: 1.479568051522676
Energy: 1.4096421378524102
Energy: 1.4726481679217975
Energy: 1.4740960069759463
Energy: 1.4067049690626279
Energy: 1.4071908386069452
Energy: 1.4737463298611597
Energy: 1.463714069215213
Energy: 1.4507191574394187
Energy: 1.4276828825577135
Energy: 1.4633650448170659
Energy: 1.4933506396190195
Energy: 1.4404567870246916
Energy: 1.4640997615285058
Energy: 1.402279201120951
Energy: 1.4847768481089823
Energy: 1.5899020977400062
Energy: 1.4634588042185248
Energy: 1.4862623735393952
Energy: 1.4728766780735465
Energy: 1.4645759959677254
Energy: 1.4029731606275675
Energy: 1.4834725216526055
Energy: 1.4409008344474494
Energy: 1.404406291727461
Energy: 1.4044384521470725
Energy: 1.5056714969455036
Energy: 1.4043642350530792
Energy: 1.4632335534039134
Energy: 1.4594238098697583
Energy: 1.4402570943375166
Energy: 1.4629414267821659
Energy: 1.4652996839530807
Energy: 1.3984424222927776
Energy: 1.4641863820998258
Energy: 1.4637128186413628
Energy: 1.3987801936722648
Energy: 1.397466162392236
Energy: 1.4635212100407944
Energy: 1.4943121672202955
Energy: 1.3986340829209993
Energy: 1.426423806197698
Energy: 1.4659759074024654
Energy: 1.2670032156721611
Energy: 1.3854960414186075
Energy: 1.4970065612001273
Energy: 1.270914661251452
Energy: 1.267089162303199
Energy: 1.3861989056585822
Energy: 1.4704824795226636
Energy: 1.3979855310223523
Energy: 1.395483593435268
Energy: 1.395593510000002
Energy: 1.3980552373905608
Energy: 1.3986723259040825
Energy: 1.3957851722647432
Energy: 1.4613704243359011
Energy: 1.3884411579221356
Energy: 1.3842430952496656
Energy: 1.3845190312073388
Energy: 1.3874137609295094
Energy: 1.3903050171787559
Energy: 1.3845962278027995
Energy: 1.4542020146277217
Energy: 1.388954097088556
Energy: 1.3843337844378165
Energy: 1.5356065328977198
Energy: 1.4756496355274116
Energy: 1.3851738529818924
Energy: 1.3841325302227796
Energy: 1.485833151583632
Energy: 1.4591812119386915
Energy: 1.3983808643692501
Energy: 1.5194344472638348
Energy: 1.5050019198997724
Energy: 1.3997951587111104
Energy: 1.5147999502608551
Energy: 1.483000621259934
Energy: 1.4839942044099
Energy: 1.3973829342772566
Energy: 1.4834797091473444
Energy: 1.485633525271544
Energy: 1.399483316629328
Energy: 1.4839986733743176
Energy: 1.4870184826430797
Energy: 1.4837912556692385
Energy: 1.5895954504186702
Energy: 1.4835522654566284
Energy: 1.4857671615693326
Energy: 1.4457874289579424
Energy: 1.5104310725286403
Energy: 1.480095956800637
Energy: 1.4451891115972586
Energy: 1.440043236182143
Energy: 1.478835902109639
Energy: 1.4802617529372484
Energy: 1.4404400021058585
Energy: 1.4637819023271186
Energy: 1.4809019754064778
Energy: 1.4965443865973012
Energy: 1.3975171389517993
Energy: 1.463509732156277
Energy: 1.4986567995111986
Energy: 1.454949804790374
Energy: 1.4721621447527298
Energy: 1.479925075822834
Energy: 1.4096156560200603
Energy: 1.4724150821017499
Energy: 1.4737732224791176
Energy: 1.4944973579582002
Energy: 1.4074660662884375
Energy: 1.4737262737392347
Energy: 1.4636897611521535
Energy: 1.4508952452470574
Energy: 1.4275553295317331
Energy: 1.4634453915048629
Energy: 1.4932084446064215
Energy: 1.4405207768702903
Energy: 1.4640862426075731
Energy: 1.4022514906624257
Energy: 1.4859983076702281
Energy: 1.5902180165071491
Energy: 1.4636736674795745
Energy: 1.4857189463587241
Energy: 1.4732114034699844
Energy: 1.4644147070850304

minimum gb energy = 1.2669231170592459 eV
minimum distance =  2.29557060235469 Angstroms
sigma value = 21


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

Energy: 1.855001532954616
Energy: 1.2929185972385333
Energy: 1.2060462657988265
Energy: 1.249388975983734
Energy: 1.450530631276792
Energy: 1.2067507184682418
Energy: 1.291592309694621
Energy: 1.3883067563886677
Energy: 1.2856775023086968
Energy: 1.2494045338578368
Energy: 1.3220152273917
Energy: 1.248771434018262
Energy: 1.251636389753221
Energy: 1.3227010388774783
Energy: 1.2878295122810788
Energy: 1.245919653413676
Energy: 1.24910585816112
Energy: 1.2667852939483497
Energy: 1.2493151776419125
Energy: 1.248888777412032
Energy: 1.3016516836336793
Energy: 1.2587465558667617
Energy: 1.208224754199422
Energy: 1.224837627016853
Energy: 1.25923218042754
Energy: 1.2344479416500536
Energy: 1.2246041745429195
Energy: 1.2761411477924964
Energy: 1.2218080206686381
Energy: 1.225194926617995
Energy: 1.2496707395033813
Energy: 1.302625000331156
Energy: 1.2467186088855708
Energy: 1.2249885374590102
Energy: 1.3016289509316246
Energy: 1.2163726660676666
Energy: 1.246995635113924
Energy: 1.2486308475153498
Energy: 1.259669476594365
Energy: 1.2222475053927693
Energy: 1.247106558493107
Energy: 1.2141221169678282
Energy: 1.1733905597744974
Energy: 1.2262619465745257
Energy: 1.173717245463564
Energy: 1.2729616577720533
Energy: 1.2424438754441547
Energy: 1.2307874934001197
Energy: 1.173369494289695
Energy: 1.173513134905543
Energy: 1.1732124857030906
Energy: 1.2248559657783322
Energy: 1.1930113092986856
Energy: 1.1736600090536866
Energy: 1.2265602113131002
Energy: 1.1645041187596565
Energy: 1.2131157947143854
Energy: 1.1727211712209697
Energy: 1.2121016798927218
Energy: 1.2135526426832344
Energy: 1.2133790890966512
Energy: 1.2265352583274756
Energy: 1.2440632265013953
Energy: 1.1475798317981407
Energy: 1.1469884093412652
Energy: 1.1672601241197913
Energy: 1.1480870520712403
Energy: 1.1482113880174658
Energy: 1.3047859220636953
Energy: 1.1941742519278042
Energy: 1.1908120040252639
Energy: 1.2003699633025087
Energy: 1.1476834985565585
Energy: 1.2287854957605462
Energy: 1.24277091703414
Energy: 1.147937135971922
Energy: 1.228877636628149
Energy: 1.1931748369130373
Energy: 1.1477455491895219
Energy: 1.24507401695923
Energy: 1.2288958173404982
Energy: 1.1477546487465744
Energy: 1.2446805306855013
Energy: 1.2298102698521967
Energy: 1.1661857569433416
Energy: 1.147223429893718
Energy: 1.1473190478291952
Energy: 1.1480148658798168
Energy: 1.3044784850527456
Energy: 1.1474212133573478
Energy: 1.1471374871647506
Energy: 1.196599472393369
Energy: 1.1976020566477323
Energy: 1.147060860536461
Energy: 1.2258549677978243
Energy: 1.1605734382929753
Energy: 1.1471736693603425
Energy: 1.1483516266831368
Energy: 1.229261150292217
Energy: 1.2267287815060506
Energy: 1.1732227272670612
Energy: 1.2134390745201766
Energy: 1.2270187991395587
Energy: 1.2124880252294146
Energy: 1.2125709460094003
Energy: 1.2700154021807915
Energy: 1.2347429158912138
Energy: 1.1730509802040117
Energy: 1.300223842433427
Energy: 1.2308925290084909
Energy: 1.2485865633373823
Energy: 1.1882809556125005
Energy: 1.2587445063136855
Energy: 1.2277516489657359
Energy: 1.2126658404928867
Energy: 1.271930921782448
Energy: 1.2160907885882275
Energy: 1.2415121770573503
Energy: 1.2126351331342409
Energy: 1.310702725766856
Energy: 1.2501198083752867
Energy: 1.2229971071266657
Energy: 1.3041782016875758
Energy: 1.248752152063047
Energy: 1.251551650816718
Energy: 1.3115042242937085
Energy: 1.2229427912232889
Energy: 1.2254182230594335
Energy: 1.2068351289384607
Energy: 1.2764238455841372
Energy: 1.22506990716404
Energy: 1.1994322777072968
Energy: 1.2412565421766453
Energy: 1.310451063331037
Energy: 1.248526392885117
Energy: 1.2494418445582598
Energy: 1.259569036461493
Energy: 1.2490040979581605
Energy: 1.246447532707249
Energy: 1.2589610878477702
Energy: 1.3113974114022062
Energy: 1.2503379719517953
Energy: 1.2494067935254711
Energy: 1.3622688166041468
Energy: 1.2490672026098872
Energy: 1.2463970312956865
Energy: 1.3227802486534856
Energy: 1.2967688640435424
Energy: 1.2070089702072277
Energy: 1.2339858859502297
Energy: 1.2337086664623618
Energy: 1.231617184557865
Energy: 1.292658998793283
Energy: 1.3797204193783323
Energy: 1.323288622022652
Energy: 1.207058824166753
Energy: 1.3788970329608634
Energy: 1.2340650803795907
Energy: 1.2338619792063106
Energy: 1.225209859826315
Energy: 1.3794853629897263
Energy: 1.3197614987064001
Energy: 1.311091775674484
Energy: 1.249790250890286
Energy: 1.3621150505931352
Energy: 1.2495473494954155
Energy: 1.2493666553670904
Energy: 1.3763524083559961
Energy: 1.3883998776652566
Energy: 1.248576620709585
Energy: 1.2779123457140826
Energy: 1.233387502791016
Energy: 1.2338067884913853
Energy: 1.248813574374452
Energy: 1.3225616907625828

minimum gb energy = 1.1469884093412652 eV
minimum distance =  2.28945594709289 Angstroms
sigma value = 113


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

Energy: 1.841902671781803
Energy: 1.24897765107684
Energy: 1.1570838770036727
Energy: 1.2736792962774048
Energy: 1.2730393122730346
Energy: 1.1488096725961219
Energy: 1.0748781213557312
Energy: 1.1231989864114125
Energy: 1.13525209092119
Energy: 1.1330993457668723
Energy: 1.0956798171168058
Energy: 1.1252537590451535
Energy: 1.1155110612831753
Energy: 1.1179264838416694
Energy: 1.1128307458627116
Energy: 1.1389938796802253
Energy: 1.1386628544482655
Energy: 1.1024657467684795
Energy: 1.0891048097611107
Energy: 1.1128006937050443
Energy: 1.102902957343246
Energy: 1.0833129525926097
Energy: 1.1245362458183297
Energy: 1.1080258477777194
Energy: 1.0640468177271458
Energy: 1.0776456250351731
Energy: 1.107891756323744
Energy: 1.1056389156192519
Energy: 1.0407700257940296
Energy: 1.1232677178525918
Energy: 1.1371658770796507
Energy: 1.1033199448529465
Energy: 1.0801659342578345
Energy: 1.1071279517370658
Energy: 1.1047900445668517
Energy: 1.0921063023665754
Energy: 1.1364579385798153
Energy: 1.081027212195446
Energy: 1.1105565987504726
Energy: 1.0921724051867963
Energy: 1.1247918388825136
Energy: 1.123423409989352
Energy: 1.0752460229411123
Energy: 1.0606888867055047
Energy: 1.090884466838039
Energy: 1.0577801946807295
Energy: 1.0773929729365777
Energy: 1.1230862962420662
Energy: 1.087006111950068
Energy: 1.0859329476487327
Energy: 1.060798686256759
Energy: 1.0905234096885372
Energy: 1.0583179647702752
Energy: 1.0762831515342655
Energy: 1.1226877865757414
Energy: 1.051309962917352
Energy: 1.0915007451740044
Energy: 1.0913656338676112
Energy: 1.0571059352706944
Energy: 1.0934993278809306
Energy: 1.0876693469520706
Energy: 1.0650987661757376
Energy: 1.0760687703225906
Energy: 1.0452209129417318
Energy: 1.061509897419815
Energy: 1.044651786539496
Energy: 1.0648223964609789
Energy: 1.0625990858091698
Energy: 1.0664382060953
Energy: 1.0661035579673959
Energy: 1.0397298301638018
Energy: 1.0615128954087298
Energy: 1.0444387170924025
Energy: 1.053242179281425
Energy: 1.0532342906117664
Energy: 1.046545098866308
Energy: 1.0519396951580533
Energy: 1.0567344261464993
Energy: 1.0707656369406469
Energy: 1.057629796678666
Energy: 1.0531537361331447
Energy: 1.0515252490499805
Energy: 1.0454604293780425
Energy: 1.053684699998555
Energy: 1.0488864602185655
Energy: 1.0310686646989904
Energy: 1.0241810424979365
Energy: 1.0371717087248868
Energy: 1.0486002082631216
Energy: 1.0265009678586225
Energy: 1.0139656501320367
Energy: 1.0546514592602216
Energy: 1.011409765624238
Energy: 1.0227856649851605
Energy: 1.0492589200085427
Energy: 1.0476175174964275
Energy: 1.014790189806767
Energy: 1.013189225313708
Energy: 1.0186853563751592
Energy: 1.0486828296657469
Energy: 1.0316860686715272
Energy: 1.010298431054549
Energy: 1.0359084598482053
Energy: 1.0569742899859578
Energy: 1.0315311028453984
Energy: 1.0211018198949182
Energy: 0.9987218927433753
Energy: 1.0048226859062852
Energy: 1.0038409649575737
Energy: 1.0173425394885502
Energy: 1.0233500084303462
Energy: 1.018006546270957
Energy: 1.0087105616061576
Energy: 1.0269811335039667
Energy: 1.0043353534280584
Energy: 1.005023785373347
Energy: 0.9968651973597833
Energy: 1.0228943882451826
Energy: 1.0147051755760206
Energy: 1.023276409474665
Energy: 1.01021194028765
Energy: 1.0439631373549565
Energy: 1.0302179466035586
Energy: 1.0115799639760987
Energy: 1.0639752408126109
Energy: 1.0099774302366078
Energy: 1.0267944639583932
Energy: 1.0105011624137183
Energy: 1.0231958093393858
Energy: 1.0479296434075638
Energy: 1.0309456406471778
Energy: 1.043003570497548
Energy: 1.028383173413833
Energy: 0.99890467856998
Energy: 0.9917927889132051
Energy: 1.0229866391998474
Energy: 1.0240646333160002
Energy: 0.9909749153579983
Energy: 1.0022910736475354
Energy: 1.016997188485195
Energy: 1.0323105392077832
Energy: 1.0266334698217872
Energy: 0.9995078560673474
Energy: 1.0421625992068815
Energy: 1.0437115444742415
Energy: 0.9997429993113129
Energy: 1.041794914782844
Energy: 1.0174500029334146
Energy: 1.00903420320624
Energy: 1.0218554365581016
Energy: 1.0416104556189887
Energy: 0.9993873113491086
Energy: 1.0263313106205694
Energy: 1.044206397212498
Energy: 1.0109573992103547
Energy: 1.0036958528263675
Energy: 0.9903190867879289
Energy: 1.025431942744913
Energy: 1.0222077458720844
Energy: 0.9921257135652084
Energy: 0.9877317376040293
Energy: 1.0151719470921325
Energy: 1.0265846394479154
Energy: 1.0302918741531173
Energy: 1.0493998738418124
Energy: 1.0238287014151037
Energy: 1.0154010467034447
Energy: 1.0318867155866116
Energy: 1.0431367100555486
Energy: 1.0652100870433128
Energy: 1.0168357850362533
Energy: 1.0103287120284616
Energy: 1.0648150994409884
Energy: 1.0096443260122108
Energy: 1.0317186646566223
Energy: 1.0121444871908272
Energy: 1.0241832386616787
Energy: 0.9965065299147672
Energy: 1.0141137044563882
Energy: 1.0233417703745846
Energy: 1.0274720776183661
Energy: 1.0045583694038493
Energy: 1.00524298327506
Energy: 1.0244496034465913
Energy: 1.0176542850469223
Energy: 1.014283562685323
Energy: 1.0388771535220636
Energy: 1.0317875142304849
Energy: 1.0047396767135188
Energy: 1.0379268273635491
Energy: 1.0333601475816239
Energy: 1.0485557345624237
Energy: 1.022212583252121
Energy: 1.0303797663487329
Energy: 1.0499611806856146
Energy: 1.0101455006614037
Energy: 1.014379362702335
Energy: 1.023407462202312
Energy: 1.0342948922891806
Energy: 1.0147937963264544
Energy: 1.0228725430088725
Energy: 1.033024852437349
Energy: 1.0498141301533062
Energy: 1.0288028463030727
Energy: 1.032110022633817
Energy: 1.0319619168383494
Energy: 1.0341752016267438
Energy: 1.0231596908221077
Energy: 1.0494207200677261
Energy: 1.0537151245504413
Energy: 1.0498875161095012
Energy: 1.0558276918735878
Energy: 1.0541860630402424
Energy: 1.053042872707477
Energy: 1.054838629939298
Energy: 1.0721166933394406
Energy: 1.077744871326681
Energy: 1.0461588120283114
Energy: 1.0427952991716014
Energy: 1.0542689298229944
Energy: 1.0745009339287077
Energy: 1.0368687937061287
Energy: 1.0607050667498956
Energy: 1.0534473797544675
Energy: 1.0718186572006974
Energy: 1.04644536381988
Energy: 1.0656273930969673
Energy: 1.065238150275344
Energy: 1.0552970665223333
Energy: 1.06589467312416
Energy: 1.0759224555370115
Energy: 1.0715792205304364
Energy: 1.1042313758505236
Energy: 1.0873412644221259
Energy: 1.0946156612576774
Energy: 1.0611421461791362
Energy: 1.098130708154984
Energy: 1.095023484520638
Energy: 1.0696684539684356
Energy: 1.1238786098860645
Energy: 1.0769849458913037
Energy: 1.0399126523500424
Energy: 1.0817257638017987
Energy: 1.091595967271769
Energy: 1.0883821111308511
Energy: 1.0702466025546271
Energy: 1.1230809347941109
Energy: 1.0764524837792286
Energy: 1.0503706971618452
Energy: 1.0834948919630765
Energy: 1.0920969636159803
Energy: 1.0883717558372947
Energy: 1.117564920547181
Energy: 1.1260990515931664
Energy: 1.0862419466522304
Energy: 1.1262833388661289
Energy: 1.0802203222209765
Energy: 1.0842762003948423
Energy: 1.0935052081993153
Energy: 1.1185738956580382
Energy: 1.1077587117453613
Energy: 1.0979427023813986
Energy: 1.0963691787129803
Energy: 1.1070891442027961
Energy: 1.0865458770087706
Energy: 1.0841986988463308
Energy: 1.1179550544804124
Energy: 1.080642650276042
Energy: 1.0892616054051736
Energy: 1.0761562516103702
Energy: 1.1077456165768746
Energy: 1.0777939105768344
Energy: 1.0495630992112666
Energy: 1.1038645121558044
Energy: 1.1143819341408085
Energy: 1.0878308221838728
Energy: 1.102736651717432
Energy: 1.1255564991965057
Energy: 1.1401081132840993
Energy: 1.1181120212285758
Energy: 1.1226669438936527
Energy: 1.1229021743552392
Energy: 1.1032767775161807
Energy: 1.1024257369356663
Energy: 1.133560268074638
Energy: 1.1309302948958768
Energy: 1.110675397170423
Energy: 1.0558790566060539
Energy: 1.1325268747382826
Energy: 1.105396422619357
Energy: 1.0745970032525267
Energy: 1.0786446083915
Energy: 1.1038584897367218
Energy: 1.1138857144829815
Energy: 1.1126958558904307
Energy: 1.1350037536848088
Energy: 1.1269564746522314
Energy: 1.1022680619694427
Energy: 1.1369078441567955
Energy: 1.111659548820601
Energy: 1.10128464002831
Energy: 1.1064668963113902
Energy: 1.1131109295424462
Energy: 1.13622151907203
Energy: 1.102147143068543
Energy: 1.12514867259103
Energy: 1.1348302116743996
Energy: 1.1171904124971515
Energy: 1.1245097780011004
Energy: 1.103392777583208
Energy: 1.0794527207073508
Energy: 1.1040401264170745
Energy: 1.1036612304257072
Energy: 1.0784880149648581
Energy: 1.0748241996788248

minimum gb energy = 0.9877317376040293 eV
minimum distance =  2.29491589248311 Angstroms
sigma value = 365


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

Energy: 1.3461045026367109
Energy: 1.250657149898106
Energy: 1.2512125009640696
Energy: 1.252955607350618
Energy: 1.2526436961605971
Energy: 1.2516499584590883
Energy: 1.2510229274549702
Energy: 1.2951374208016582
Energy: 0.41890502175547134
Energy: 0.41831872582303514
Energy: 0.41795698611982945
Energy: 0.41788755505660746
Energy: 0.41799282430660645
Energy: 0.4186175218033037
Energy: 0.42982015182852773
Energy: 0.41878100275152985
Energy: 0.4184210611059023
Energy: 0.41812201371770014
Energy: 0.4177732503684684
Energy: 0.4182339152144017
Energy: 0.4186241614462804
Energy: 1.2924438126893654
Energy: 1.2564347616085925
Energy: 1.2493243528796454
Energy: 1.2486896314575249
Energy: 1.2489881296808027
Energy: 1.2490230770975546
Energy: 1.2494834764581983
Energy: 1.2953302506593132
Energy: 1.2589264908268667
Energy: 1.256751978461396
Energy: 1.2551712956277408
Energy: 1.249553848118033
Energy: 1.2552876125261194
Energy: 1.2567370001371312
Energy: 0.4297263859418584
Energy: 0.41849762695320597
Energy: 0.41809179000445257
Energy: 0.4178946901077104
Energy: 0.41776326945217357
Energy: 0.41794535479401973
Energy: 0.4181318634026029
Energy: 1.2914822675239916
Energy: 1.2597507819986018
Energy: 1.2491255882095178
Energy: 1.249483399128008
Energy: 1.2492632907578929
Energy: 1.2488916494136468
Energy: 1.2546544310347731
Energy: 1.2918686743052599
Energy: 1.2587172518358114
Energy: 1.2491302997050753
Energy: 1.248935221660212
Energy: 1.2494348724401736
Energy: 1.249406330709003
Energy: 1.259376843570131
Energy: 0.42982617476358065
Energy: 0.41835164289589766
Energy: 0.4180197338810886
Energy: 0.41778937127302246
Energy: 0.4179562991146469
Energy: 0.41808555207319487
Energy: 0.4184054583966318
Energy: 1.2956579628149552
Energy: 1.2584376606550316
Energy: 1.2558873603253338
Energy: 1.2556033093010437
Energy: 1.2592211667187847
Energy: 1.2565730272112692
Energy: 1.2575824745763486
Energy: 1.2934821918808166
Energy: 1.25551118495363
Energy: 1.2493202656590634
Energy: 1.2489345913322778
Energy: 1.2489327041182525
Energy: 1.2490474981283313
Energy: 1.2497328841450528
Energy: 0.429895502252643
Energy: 0.4187124195581138
Energy: 0.418407976447485
Energy: 0.41802679561247974
Energy: 0.4180824596632904
Energy: 0.4182619527554292
Energy: 0.41850555068904083
Energy: 0.42970376835568097
Energy: 0.41894311334223394
Energy: 0.41847104938800084
Energy: 0.41781515802730723
Energy: 0.4180021482589613
Energy: 0.41814360651838717
Energy: 0.41866390317783003
Energy: 1.2956119951251022
Energy: 1.2552992759517319
Energy: 1.2497421522763683
Energy: 1.2490634274885506
Energy: 1.2535479032120371
Energy: 1.2495217533884928
Energy: 1.2501012919370218
Energy: 1.296151911766747
Energy: 1.2547570301329396
Energy: 1.2574904506098634
Energy: 0.41788085257912777
Energy: 0.4177044860196829
Energy: 0.4181617897279101
Energy: 1.2579661472090642
Energy: 0.42990620476569547
Energy: 0.41885576876923636
Energy: 0.4182462252264554
Energy: 0.41806668438922295
Energy: 0.41790558321720633
Energy: 0.4180006282395627
Energy: 0.4185500972480917
Energy: 1.2912369778050587
Energy: 1.2563915727234514
Energy: 1.249150392555878
Energy: 1.2489778765362944
Energy: 1.248785737065031
Energy: 1.2488526485747475
Energy: 1.2496441171666866
Energy: 1.2958099358174382
Energy: 1.2590252831713615
Energy: 1.256107651733988
Energy: 1.249360055446302
Energy: 1.2499678550378592
Energy: 1.2559434569795553
Energy: 1.2557181743476802
Energy: 0.42965719056215784
Energy: 0.41829728466830207
Energy: 0.41796637914765034
Energy: 0.41774987893903326
Energy: 0.4175200392874169
Energy: 0.41756931967757127
Energy: 0.4180357036738353
Energy: 1.2914733442207957
Energy: 1.2596145429723287
Energy: 1.2552831471018762
Energy: 1.2494856759627417
Energy: 1.2494038676207129
Energy: 1.2490459965692309
Energy: 1.2599383108905036

minimum gb energy = 0.4175200392874169 eV
minimum distance =  2.38667126226556 Angstroms
sigma value = 23