Model name: model_name=Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_002
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6111526265740403
cohesive_energy=4.249969078910889
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.01647599895776922
Energy: 0.017418722676579384
Energy: 1.4835074845762561
Energy: 0.01741872267598575
Energy: 0.017418722676579384
Energy: 1.6409163065611942
Energy: 0.017418722676579384
Energy: 1.640916306561788
Energy: 1.4835074845768847
Energy: 0.017418722676579384
Energy: 0.01647599895776922
Energy: 0.017418722676579384
Energy: 0.017418722676579384
Energy: 1.6409163065611942
Energy: 0.017418722676579384
Energy: 1.640916306561788

minimum gb energy = 0.01647599895776922 eV
minimum distance =  2.50833773053056 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.5747849393821092
Energy: 1.4037044066392719
Energy: 1.2232109026914932
Energy: 1.4037044066392719
Energy: 1.2203957584106777
Energy: 1.333925275448497
Energy: 1.3282089675570043
Energy: 1.333925275448497
Energy: 1.2024873636506863
Energy: 1.3939525768625773
Energy: 1.477305960895737
Energy: 1.3939525768633396
Energy: 1.3060522904638028
Energy: 1.3277502075724776
Energy: 1.3532911069511966
Energy: 1.3277502075717154
Energy: 1.3782504146434096
Energy: 1.4079421697589667
Energy: 1.4026731994915402
Energy: 1.4079421697597294
Energy: 1.1906551168900517
Energy: 1.663851012813025
Energy: 1.2573537477472148
Energy: 1.6638510128122628
Energy: 1.3341001508931807
Energy: 1.3937950306720228
Energy: 1.1877411013876054
Energy: 1.3937950306704983
Energy: 1.1527144149082318
Energy: 1.4116785019065976
Energy: 1.145796009506506
Energy: 1.4116785019065976
Energy: 1.2065055924586363
Energy: 1.6328776931211835
Energy: 1.2048783601073363
Energy: 1.632877693119659
Energy: 1.3054896651175634
Energy: 1.3928884416865774
Energy: 1.1436998867984585
Energy: 1.3928884416865774
Energy: 1.2656905080502059
Energy: 1.3272093139243195
Energy: 1.2060271419696216
Energy: 1.3272093139235575
Energy: 1.2754279257598458
Energy: 1.41173449695204
Energy: 1.3306605534874896
Energy: 1.411734496952802
Energy: 1.3270710050869234
Energy: 1.3897744276384707
Energy: 1.333018607461281
Energy: 1.389774427639233
Energy: 1.3335675413815455
Energy: 1.3974334138719018
Energy: 1.2664336706567305
Energy: 1.397433413872664
Energy: 1.2720619240337687
Energy: 1.4041326767210514
Energy: 1.3126880257559501
Energy: 1.4041326767210514
Energy: 1.2666338228733671
Energy: 1.4035790998533288
Energy: 1.318066408100006
Energy: 1.4035790998525666
Energy: 1.4782245229692172
Energy: 1.3939924096372993
Energy: 1.162746554427443
Energy: 1.3939924096365373
Energy: 1.330741179198083
Energy: 1.3189096873545063
Energy: 1.3362996564724248
Energy: 1.3189096873545063
Energy: 1.1665664500027915
Energy: 1.4085435470514343
Energy: 1.323485640770089
Energy: 1.408543547050672
Energy: 1.3504796917231596
Energy: 1.8965630122079498
Energy: 1.2085813773263592
Energy: 1.896563012205663
Energy: 1.252702820192509
Energy: 1.3938830750158733
Energy: 1.1716589163145075
Energy: 1.3938830750173978
Energy: 1.2845566265406807
Energy: 1.5369502437926135
Energy: 1.3154069494491865
Energy: 1.5369502437895644
Energy: 1.3249875261829676
Energy: 1.4087451421644346
Energy: 1.2470971115916594
Energy: 1.4087451421644346
Energy: 1.268194448109002
Energy: 1.3936074482073197
Energy: 1.192094596842769
Energy: 1.3936074482073197
Energy: 1.1906293340586587
Energy: 1.637374878435107
Energy: 1.3339456868949653
Energy: 1.6373748784320576
Energy: 1.3791782741746468
Energy: 1.4116266054709827
Energy: 1.171464236071441
Energy: 1.4116266054709827
Energy: 1.2086700531778614
Energy: 1.7378852903955735
Energy: 1.2757369456490215
Energy: 1.7378852903932864
Energy: 1.1710365037593173
Energy: 1.390199434832645
Energy: 1.4763840370822479
Energy: 1.3901994348334072
Energy: 1.219487045540268
Energy: 1.4445001824771293
Energy: 1.1974039344454994
Energy: 1.4445001824778916
Energy: 1.4941484313649553
Energy: 1.4049148464844288
Energy: 1.1862693782789298
Energy: 1.404914846485191
Energy: 1.2214517852464668
Energy: 1.3969381131417318
Energy: 1.3265206780209597
Energy: 1.396938113142494
Energy: 1.1985968128378617
Energy: 1.3897397126594595
Energy: 1.3331183992542988
Energy: 1.3897397126594595
Energy: 1.3782797083237688
Energy: 1.4190537271425792
Energy: 1.2710199585580657
Energy: 1.4190537271418169

minimum gb energy = 1.1436998867984585 eV
minimum distance =  2.29216594541125 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.5322593633947388
Energy: 1.5118017290769077
Energy: 1.269726973146139
Energy: 1.5118017290743002
Energy: 1.269763786080455
Energy: 1.4189735071252247
Energy: 1.2766811104072986
Energy: 1.4189735071234864
Energy: 1.238147200704931
Energy: 1.515732334188783
Energy: 1.4857383978141157
Energy: 1.515732334188783
Energy: 1.3075879547154468
Energy: 1.272012180313084
Energy: 1.265255806705067
Energy: 1.2720121803122149
Energy: 1.3074685114898217
Energy: 1.4932207309424226
Energy: 1.395364210789846
Energy: 1.493220730939815
Energy: 1.3762140583967941
Energy: 1.4931382682756122
Energy: 1.361503523311551
Energy: 1.4931382682773506
Energy: 1.2686609020583648
Energy: 1.5418412868663507
Energy: 1.270686710923665
Energy: 1.5418412868680889
Energy: 1.1862183418392032
Energy: 1.517652276731441
Energy: 1.3385685416477415
Energy: 1.5176522767323104
Energy: 1.258442607027319
Energy: 2.0595737893285353
Energy: 1.2880305371149812
Energy: 2.059573789326797
Energy: 1.3872473378409413
Energy: 1.5155943228849909
Energy: 1.2776464217182872
Energy: 1.51559432288586
Energy: 1.3431324642461955
Energy: 1.3988538518830365
Energy: 1.2962426400834892
Energy: 1.3988538518839055
Energy: 1.2338823938964107
Energy: 1.5004633055675278
Energy: 1.4593457739891302
Energy: 1.5004633055666587
Energy: 1.4358550593530957
Energy: 1.4879785593601875
Energy: 1.3620177498397243
Energy: 1.4879785593584494
Energy: 1.4355102691847375
Energy: 1.4880768087375487
Energy: 1.2607900043907978
Energy: 1.4880768087358105
Energy: 1.220968009204563
Energy: 1.5005204942851575
Energy: 1.485516719482958
Energy: 1.5005204942860266
Energy: 1.3431699565771955
Energy: 1.3987352269688864
Energy: 1.276737256662203
Energy: 1.3987352269688864
Energy: 1.3898228018354666
Energy: 1.5177710519644532
Energy: 1.2512326827426825
Energy: 1.5177710519644532
Energy: 1.258409488608138
Energy: 2.0593997069243573
Energy: 1.2880882880455633
Energy: 2.0593997069243573
Energy: 1.1849000115274504
Energy: 1.5181905952139017
Energy: 1.3237524881669476
Energy: 1.5181905952130326
Energy: 1.343081551918957
Energy: 1.5426155513581448
Energy: 1.2624989547975491
Energy: 1.5426155513572755
Energy: 1.3763965043643316
Energy: 1.493235211259766
Energy: 1.3186412866688975
Energy: 1.493235211260635
Energy: 1.3067721885261379
Energy: 1.49315298198965
Energy: 1.2888983115401655
Energy: 1.4931529819931266
Energy: 1.3064025841127995
Energy: 1.2719043148629254
Energy: 1.252739198996104
Energy: 1.2719043148629254
Energy: 1.2266483808645916
Energy: 1.5160381213374616
Energy: 1.485341270881235
Energy: 1.5160381213400296
Energy: 1.2699537907223628
Energy: 1.4190755165322129
Energy: 1.2764692025971185
Energy: 1.4190755165330822
Energy: 1.5322593633930006
Energy: 1.5118017290769077
Energy: 1.2697269930531576
Energy: 1.5118017290743002
Energy: 1.2697637860795856
Energy: 1.4189735071226173
Energy: 1.2766811104072986
Energy: 1.4189735071200098
Energy: 1.2381472007058
Energy: 1.515732334188783
Energy: 1.3492417743860554
Energy: 1.515732334188783
Energy: 1.3075879547163158
Energy: 1.272012180313084
Energy: 1.2650053075554857
Energy: 1.2720121803104765

minimum gb energy = 1.1849000115274504 eV
minimum distance =  2.28739541622953 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.5454269990260796
Energy: 1.6084453291556542
Energy: 1.3467854886723944
Energy: 1.6084453291556542
Energy: 1.3854498532039454
Energy: 1.4243227328896626
Energy: 1.4035599672592336
Energy: 1.4243227328876418
Energy: 1.3216084161597437
Energy: 1.650363291989266
Energy: 1.4583355162829053
Energy: 1.650363291989266
Energy: 1.2993720737387606
Energy: 1.494116770252137
Energy: 1.3376485749641887
Energy: 1.4941167702511267
Energy: 1.3336519691720725
Energy: 1.6144433578832846
Energy: 1.3246868346391212
Energy: 1.6144433578832846
Energy: 1.481858295427634
Energy: 1.6497277429444421
Energy: 1.3776568292492817
Energy: 1.6497277429444421
Energy: 1.441392227872111
Energy: 1.6756367458802102
Energy: 1.3712989165987561
Energy: 1.6756367458792
Energy: 1.4524081353466465
Energy: 1.613986009517314
Energy: 1.3117006923706112
Energy: 1.6139860095183243
Energy: 1.3705919712000894
Energy: 1.491504343163833
Energy: 1.4409857886284356
Energy: 1.4915043431628225
Energy: 1.534903460744068
Energy: 1.6496095471475998
Energy: 1.4126896087411578
Energy: 1.6496095471465895
Energy: 1.4487035136089512
Energy: 1.6079779459853694
Energy: 1.3770631525689023
Energy: 1.607977945984359
Energy: 1.3568144445566632
Energy: 1.6080392131039012
Energy: 1.3746415267403405
Energy: 1.608039213102891
Energy: 1.4583036544503611
Energy: 1.624579903528496
Energy: 1.314113387792467
Energy: 1.6245799035295068
Energy: 1.371209754424679
Energy: 1.4407463949392731
Energy: 1.3976618804482135
Energy: 1.4407463949392731
Energy: 1.3035870885122325
Energy: 1.6155460739069643
Energy: 1.2866895728599235
Energy: 1.6155460739069643
Energy: 1.44508200842386
Energy: 2.144865162575734
Energy: 1.3373385355624507
Energy: 2.144865162575734
Energy: 1.2600239252637826
Energy: 1.6500085616803668
Energy: 1.2665553301466363
Energy: 1.6500085616813773
Energy: 1.3359695726510687
Energy: 1.5014384065631075
Energy: 1.3064775456249085
Energy: 1.5014384065631075
Energy: 1.3107244308158779
Energy: 1.6341703487448715
Energy: 1.3274472389697285
Energy: 1.6341703487438615
Energy: 1.4003786013237747
Energy: 1.6498027882098176
Energy: 1.3666715622084271
Energy: 1.6498027882098176
Energy: 1.4624263422560693
Energy: 1.6008176976300648
Energy: 1.4053571305580894
Energy: 1.6008176976290547
Energy: 1.5711829116116671
Energy: 1.6104164695366074
Energy: 1.358363203034635
Energy: 1.6104164695366074
Energy: 1.3778171524204263
Energy: 1.4941480302246104
Energy: 1.4032811502909477
Energy: 1.4941480302256207
Energy: 1.3403243008644343
Energy: 1.6495776035061394
Energy: 1.4574671541137518
Energy: 1.6495776035061394
Energy: 1.4374934635220256
Energy: 1.35502485842969
Energy: 1.3372256569193615
Energy: 1.35502485842969

minimum gb energy = 1.2600239252637826 eV
minimum distance =  2.29333885454403 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.5002568052500465
Energy: 1.7595498961612228
Energy: 1.390251220081845
Energy: 1.7595498961612228
Energy: 1.4995242948116172
Energy: 1.6473454946397654
Energy: 1.498192641422929
Energy: 1.6473454946397654
Energy: 1.4099232946533375
Energy: 1.604000986353592
Energy: 1.3920398734900865
Energy: 1.6040009863560025
Energy: 1.582116659051801
Energy: 1.8286089283497151
Energy: 1.435427439013879
Energy: 1.82860892834851
Energy: 1.6159247585965077
Energy: 1.618989526793003
Energy: 1.460214587740366
Energy: 1.618989526793003
Energy: 1.3807982052450667
Energy: 1.5940919125122086
Energy: 1.4549374593957884
Energy: 1.5940919125555997
Energy: 1.5225191334129624
Energy: 1.4359208074949346
Energy: 1.4399694320875305
Energy: 1.4359208074949346
Energy: 1.4527804962335606
Energy: 1.3976584438754667
Energy: 1.3841793740672632
Energy: 1.3976584438658242
Energy: 1.418605454998489
Energy: 1.6257607297440568
Energy: 1.4612929732447915
Energy: 1.6257607297440568
Energy: 1.4984824228881275
Energy: 1.603820999134329
Energy: 1.5030887115306508
Energy: 1.6038209991355346
Energy: 1.390075045729126
Energy: 1.746242820123885
Energy: 1.391763312901501
Energy: 1.7462428201226798
Energy: 1.581604555509167
Energy: 1.5633991969588508
Energy: 1.4390849919702025
Energy: 1.5633991969564403
Energy: 1.3532467447258256
Energy: 1.7689528454507035
Energy: 1.3211073516736853
Energy: 1.7689528454507035
Energy: 1.4930323167398571
Energy: 2.3202756722771007
Energy: 1.5848824997400333
Energy: 2.3202756722771007
Energy: 1.3553329042774132
Energy: 1.7689563965872486
Energy: 1.2876643534943408
Energy: 1.7689563965872486
Energy: 1.5816379675444436
Energy: 1.5872620795907122
Energy: 1.4390912740899
Energy: 1.5872620795907122
Energy: 1.3900177639865714
Energy: 1.7462833360225096
Energy: 1.404501149549626
Energy: 1.7462833360225096
Energy: 1.4983875913607878
Energy: 1.6036778409035963
Energy: 1.5030253472150976
Energy: 1.6036778409035963
Energy: 1.419841183986505
Energy: 1.6258269707822415
Energy: 1.4606981695160448
Energy: 1.6258269707834467
Energy: 1.4527881038206925
Energy: 1.7142533442238714
Energy: 1.3805960671984414
Energy: 1.7142533442214611
Energy: 1.5235899581714616
Energy: 1.435945809840753
Energy: 1.437997973394613
Energy: 1.435945809840753

minimum gb energy = 1.2876643534943408 eV
minimum distance =  2.34303284473456 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.5105780907959052
Energy: 1.912482409787537
Energy: 1.5545762443661637
Energy: 1.912482409787537
Energy: 1.5418820232343027
Energy: 1.7563833863675076
Energy: 1.4007095992684935
Energy: 1.756383386366017
Energy: 1.4736282235441707
Energy: 1.8705826457212424
Energy: 1.3903223390753654
Energy: 1.8705826457212424
Energy: 1.5291987087739907
Energy: 1.7261139058052828
Energy: 1.6242085488964149
Energy: 1.7261139058037924
Energy: 1.6234301894690868
Energy: 1.5413917183696293
Energy: 1.3678156708467482
Energy: 1.5413917183696293
Energy: 1.3923700544607527
Energy: 1.5361039047816396
Energy: 1.6117828952375846
Energy: 1.53610390478313
Energy: 1.4003994133229702
Energy: 1.5920673836896724
Energy: 1.5203101560505705
Energy: 1.5920673836896724
Energy: 1.6082934584345097
Energy: 1.901352139770341
Energy: 1.5339201507624827
Energy: 1.901352139770341
Energy: 1.390174144521731
Energy: 1.3982568186931412
Energy: 1.410824033342749
Energy: 1.3982568186946318
Energy: 1.658961413204187
Energy: 1.694099605586767
Energy: 1.4712228307864361
Energy: 1.694099605586767
Energy: 1.3809399405757272
Energy: 1.8014979190460703
Energy: 1.7016484710336335
Energy: 1.8014979190460703
Energy: 1.39029432835929
Energy: 2.1947112242477407
Energy: 1.6573264259340543
Energy: 2.1947112242492315
Energy: 1.5823288703122398
Energy: 1.535815156541479
Energy: 1.2584864143367045
Energy: 1.5358151564744362
Energy: 1.524785106828599
Energy: 1.7225616872843716
Energy: 1.6307421423729256
Energy: 1.7225616872843716
Energy: 1.5245158525402278
Energy: 1.852904331860902
Energy: 1.6060703031909895
Energy: 1.8529043318623923
Energy: 1.411116266136151
Energy: 1.7744475530847328
Energy: 1.3927678277332571
Energy: 1.7744475530832422
Energy: 1.3888505319373334
Energy: 1.5002561059068706
Energy: 1.6571292107574198
Energy: 1.50025610590538

minimum gb energy = 1.2584864143367045 eV
minimum distance =  2.32341345768763 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.5499803888313124
Energy: 1.712160895479339
Energy: 1.6307876367369154
Energy: 1.7121608954827159
Energy: 1.664360186221469
Energy: 1.5376404584914583
Energy: 1.379229866573877
Energy: 1.5376404584923022
Energy: 1.6785729536166043
Energy: 1.808741031441919
Energy: 1.3766722910277849
Energy: 1.808741031441919
Energy: 1.3869594594295964
Energy: 1.7224406824722656
Energy: 1.5645423836339776
Energy: 1.7224406824722656
Energy: 1.734823377648103
Energy: 1.731258535013028
Energy: 1.3769436998471887
Energy: 1.731258535013872
Energy: 1.4572958831779748
Energy: 1.4835104537059536
Energy: 1.6054203005905177
Energy: 1.4835104537042652
Energy: 1.466738693046991
Energy: 1.6309331944976404
Energy: 1.4639330462332976
Energy: 1.6309331944976404
Energy: 1.5875915650775967
Energy: 1.6078467707216042
Energy: 1.473925158425731
Energy: 1.6078467706886805
Energy: 1.5097415353555137
Energy: 1.8397362142832416
Energy: 1.632946881446571
Energy: 1.839736214285774
Energy: 1.751477675847177
Energy: 1.7255540050653684
Energy: 1.4478364420798502
Energy: 1.7255540050695894
Energy: 1.4393349577781125
Energy: 1.8580039405275368
Energy: 1.7232448999498409
Energy: 1.8580039405081585
Energy: 1.474661393145344
Energy: 1.5871283794655477
Energy: 1.5018611951182201
Energy: 1.5871283794655477
Energy: 1.6778692725015778
Energy: 1.6037317745054844
Energy: 1.553569659332171
Energy: 1.6037317745080168
Energy: 1.3772860845976607
Energy: 1.796683474558492
Energy: 1.6849472707185449
Energy: 1.7966834745601805
Energy: 1.5239119713056926
Energy: 1.6946495043281546
Energy: 1.529056778791389
Energy: 1.694649504328999
Energy: 1.5952854668511818
Energy: 1.8852823668200793
Energy: 1.4908830044839314
Energy: 1.8852823668200793
Energy: 1.3924751208415609
Energy: 1.6163422204964994
Energy: 1.7984442998962087
Energy: 1.6163422204964994
Energy: 1.6220286910402286
Energy: 1.6880104745008115
Energy: 1.4656298943871466
Energy: 1.6880104745025002
Energy: 1.5554803756541618
Energy: 1.6245205833852707
Energy: 1.6093671578228517
Energy: 1.6245205833835823
Energy: 1.5327502833600806
Energy: 1.736078492401003
Energy: 1.437324583278291
Energy: 1.736078492401003
Energy: 1.4852249740936072
Energy: 1.8315636083913442
Energy: 1.6110141751299727
Energy: 1.8315636083896558
Energy: 1.4096785202046107
Energy: 2.052391265153631
Energy: 1.784935352842074
Energy: 2.0523912651401237
Energy: 1.5997264861958316
Energy: 1.8753360776185648
Energy: 1.4519681602570327
Energy: 1.8753360776194088
Energy: 1.4870072015093538
Energy: 1.6317323101876888
Energy: 1.6117121921792161
Energy: 1.6317323101876888
Energy: 1.559338530858079
Energy: 1.808492419696795
Energy: 1.6152241358135186
Energy: 1.8084924196951069
Energy: 1.6819150694238896
Energy: 1.8488804311074363
Energy: 1.443745206064901
Energy: 1.8488804311082803
Energy: 1.3387046061503358
Energy: 1.8533088682861085
Energy: 1.834265428788966
Energy: 1.8533088682852645
Energy: 1.5669240526207173
Energy: 1.7105787506999048
Energy: 1.6171939375269793
Energy: 1.7105787507024375
Energy: 1.8061410725353528
Energy: 1.6808453614955396
Energy: 1.4548283027167483
Energy: 1.6808453614946952
Energy: 1.4730272843435746
Energy: 1.6768143473958146
Energy: 1.6287978512540227
Energy: 1.6768143473958146

minimum gb energy = 1.3387046061503358 eV
minimum distance =  2.21627644965568 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.2670416314543913
Energy: 1.2654078296393867
Energy: 1.6712384271503127
Energy: 1.2654078296393867
Energy: 1.6248100616525945
Energy: 1.4088770047594708
Energy: 1.45449385548671
Energy: 1.4088770168795208
Energy: 1.2879546153055195
Energy: 1.5819590963123897
Energy: 1.2608375025419545
Energy: 1.581959096310446
Energy: 1.2882098877175086
Energy: 1.5818737747099432
Energy: 1.388014248926312
Energy: 1.5818737747079996
Energy: 1.6248757231905009
Energy: 1.395189830504197
Energy: 1.6834710364700467
Energy: 1.3951904088245461
Energy: 1.2670416314543913
Energy: 1.2654078296393867
Energy: 1.6719967918847822
Energy: 1.2654078296393867
Energy: 1.624810061650651
Energy: 1.4088782049421804
Energy: 1.5203665645828555
Energy: 1.4088782246773572
Energy: 1.287954615303576
Energy: 1.581959096310446
Energy: 1.4372498802237021
Energy: 1.5819590963123897
Energy: 1.2882098877175086
Energy: 1.5818737747060563
Energy: 1.4272074955366756
Energy: 1.5818737747079996
Energy: 1.6248757231905009
Energy: 1.3951557939111543
Energy: 1.6834710364700467
Energy: 1.3951572013256337
Energy: 1.2670416314543913
Energy: 1.2654078296393867
Energy: 1.6720271591373659
Energy: 1.2654078296393867
Energy: 1.6248100616525945
Energy: 1.4091302424124739
Energy: 1.5203665645828555
Energy: 1.4091302494001183
Energy: 1.2879546153055195
Energy: 1.5819590963123897
Energy: 1.5216198078322076
Energy: 1.5819590963123897

minimum gb energy = 1.2608375025419545 eV
minimum distance =  2.25183437860242 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.4975848102293359
Energy: 1.8149259908001703
Energy: 1.7755570397346028
Energy: 1.8149259908052053
Energy: 1.855750706020619
Energy: 1.5197326696965614
Energy: 1.5131525427207266
Energy: 1.519732669698
Energy: 1.4578079577687735
Energy: 1.7515901392172304
Energy: 1.5496667124965664
Energy: 1.7515901392151378
Energy: 1.5085303276184785
Energy: 1.827223258571449
Energy: 1.606686900725464
Energy: 1.8272232585721684
Energy: 1.8696781489150363
Energy: 1.4711274323444012
Energy: 1.4375937277845146
Energy: 1.4711274323393657
Energy: 1.4778422442019217
Energy: 1.5090995196197492
Energy: 1.575685488625445
Energy: 1.5090995196140602
Energy: 1.8971435251910977
Energy: 1.9451103126588827
Energy: 1.4812521406437165
Energy: 1.9451103126567248
Energy: 1.4863524995582882
Energy: 1.861420234737844
Energy: 1.6582901991001984
Energy: 1.861420234738563
Energy: 1.417013621737732
Energy: 1.7969234552597382
Energy: 1.528587903191325
Energy: 1.7969234552675852
Energy: 1.5065707156298473
Energy: 1.5025522832697213
Energy: 1.4994039733882594
Energy: 1.502552283269002
Energy: 1.4288337353115208
Energy: 1.8822132142796728
Energy: 1.7394311830516076
Energy: 1.8822132142767956
Energy: 1.61871700548914
Energy: 1.9219055505139162
Energy: 1.4090286064301887
Energy: 1.9219055505117584
Energy: 1.4220272781944563
Energy: 1.7441249035095405
Energy: 1.7169916792772169
Energy: 1.7441249035109792
Energy: 1.5071926571952243
Energy: 1.9389057096546465
Energy: 1.430534117510642
Energy: 1.9389057096539273
Energy: 1.4321834520728605
Energy: 1.5440417694194095
Energy: 1.604503158202853
Energy: 1.5440417694208484
Energy: 1.398223388250083
Energy: 1.7809687707195108
Energy: 1.4403536480162922
Energy: 1.7809687707202297
Energy: 1.4587102584160951
Energy: 1.782301898885693
Energy: 1.4670758299860684
Energy: 1.7823018988849735
Energy: 1.4318017265994976
Energy: 1.471793409618852
Energy: 1.8190198032412495
Energy: 1.471793409620291
Energy: 1.6960537724670417
Energy: 1.7191089898527725
Energy: 1.480277094583539
Energy: 1.719108989852053
Energy: 1.4165899679820484
Energy: 1.4633285843846082
Energy: 1.6629332309869571
Energy: 1.4633285843824502
Energy: 1.5605649724042912
Energy: 1.8587755799099763
Energy: 1.5059069862271321
Energy: 1.8587755799070993
Energy: 1.513969741375872
Energy: 1.746455083110234
Energy: 1.5256668974527323
Energy: 1.7464550831123915
Energy: 1.552530462554946
Energy: 1.571345746996726
Energy: 1.5109444260324982
Energy: 1.5713457469981646
Energy: 1.7853594911960136
Energy: 1.8270239359556901
Energy: 1.4262635532039398
Energy: 1.827023935954971
Energy: 1.46165325026241
Energy: 1.860821489230035
Energy: 1.8600457823388286
Energy: 1.8608214892293158
Energy: 1.4603646169087712
Energy: 1.5584178178955113
Energy: 1.4136211135322392
Energy: 1.5584178178940726
Energy: 1.6822916222229674
Energy: 1.7230699110525707
Energy: 1.5434810715936544
Energy: 1.7230699110511318
Energy: 1.637767155861204
Energy: 1.7030869912432791
Energy: 1.5250655024276139
Energy: 1.7030869912425601
Energy: 1.6237255404823978
Energy: 1.4840140311089753
Energy: 1.4126987282020054
Energy: 1.4840140311096948
Energy: 1.4947765401250561
Energy: 1.9743602422885986
Energy: 1.872666396873469
Energy: 1.97436024228716
Energy: 1.7124950471115998
Energy: 1.9738548287679516
Energy: 1.426573864034444
Energy: 1.9738548287650741
Energy: 1.5548266277496643
Energy: 1.5868367756157304
Energy: 1.5264241499181108
Energy: 1.5868367756142918
Energy: 1.595754220530649
Energy: 1.593783492450347
Energy: 1.474170353162555
Energy: 1.5937834924489083
Energy: 1.5898185749158413
Energy: 1.9426007528244538
Energy: 1.4814803349106225
Energy: 1.9426007528258924
Energy: 1.4529376952071675
Energy: 1.9709854895299117
Energy: 1.9824924544197442
Energy: 1.9709854895335082

minimum gb energy = 1.398223388250083 eV
minimum distance =  2.22720873283523 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.4353270185288127
Energy: 1.4329869857017108
Energy: 1.772766297507445
Energy: 1.4329869857005695
Energy: 1.6214478356945563
Energy: 1.9847771907117306
Energy: 1.5302584055205712
Energy: 1.9847771907117306
Energy: 1.5291235903845657
Energy: 1.9631136958793374
Energy: 1.5749338230199106
Energy: 1.9631136958793374
Energy: 1.3582067715840467
Energy: 1.5614341656959518
Energy: 1.5682485797311994
Energy: 1.5614341656948107
Energy: 1.4708686004916443
Energy: 1.534133676370977
Energy: 1.4753473138394457
Energy: 1.534133676370977
Energy: 1.4140545486780844
Energy: 1.570922338369435
Energy: 1.7521190165958425
Energy: 1.570922338369435
Energy: 1.8488533053412826
Energy: 1.731558410290869
Energy: 1.4145294712087684
Energy: 1.7315584102897277
Energy: 1.4530599378571516
Energy: 1.8094783684112277
Energy: 1.8819891334280168
Energy: 1.8094783684100866
Energy: 1.5725497708305507
Energy: 1.4338926710473399
Energy: 1.4320688983997123
Energy: 1.433892671048481
Energy: 1.4727232014958693
Energy: 1.4759911748577546
Energy: 1.4121782214288006
Energy: 1.4759911748588956
Energy: 1.3830698256959937
Energy: 1.634358001392726
Energy: 1.6524121464587422
Energy: 1.6343580013915846
Energy: 1.5746188301413169
Energy: 1.5790690328868915
Energy: 1.4386651719129542
Energy: 1.5790690328868915
Energy: 1.5003093866640698
Energy: 1.52534496936402
Energy: 1.8028421153404925
Energy: 1.5253449693628789
Energy: 1.8484174588997135
Energy: 1.5254870416665254
Energy: 1.355644626158698
Energy: 1.525487041659678
Energy: 1.4589501669814582
Energy: 1.8731746992821887
Energy: 1.732547025669324
Energy: 1.8731746992799323
Energy: 1.7674708244662811
Energy: 1.634548288439844
Energy: 1.3858149226822747
Energy: 1.634548288439844
Energy: 1.55877598974576
Energy: 1.4907618498474344
Energy: 1.4712851981843285
Energy: 1.4907618498485755
Energy: 1.5404825980845585
Energy: 1.4334204012848608
Energy: 1.438656410086094
Energy: 1.4334204012837195
Energy: 1.573550246586164
Energy: 1.676800217785186
Energy: 1.4496102524781234
Energy: 1.6768002177863273
Energy: 1.4138643653548417
Energy: 1.8794725905221814
Energy: 1.8492073975804415
Energy: 1.8794725905221814
Energy: 1.843818816902625
Energy: 1.5701618409928193
Energy: 1.4739721812691056
Energy: 1.5701618409928193
Energy: 1.568762456617334
Energy: 1.6406066162704698
Energy: 1.7891964062626209
Energy: 1.6406066162716109

minimum gb energy = 1.355644626158698 eV
minimum distance =  2.24960806238453 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.4921854112450093
Energy: 1.4900038439901595
Energy: 1.7807690730267072
Energy: 1.4900038439901595
Energy: 1.8025981433236111
Energy: 1.8903189288604452
Energy: 1.4488174223012256
Energy: 1.8903189288628663
Energy: 1.4619590113277612
Energy: 1.766343729528984
Energy: 1.6488508655694654
Energy: 1.7663437295305982
Energy: 1.4208697655780917
Energy: 1.7291359489868763
Energy: 1.546405611096693
Energy: 1.7291359489828413
Energy: 1.5243108804333314
Energy: 1.5230942006156698
Energy: 1.4249768563363487
Energy: 1.5230942006140555
Energy: 1.4308977760766013
Energy: 1.6628678326865485
Energy: 1.6861228602199676
Energy: 1.6628678326873556
Energy: 1.7657321502512338
Energy: 1.9678819746683303
Energy: 1.4574158619392168
Energy: 1.9678819746651024
Energy: 1.4303486196559303
Energy: 1.665453946738763
Energy: 1.8728688287273443
Energy: 1.6654539467427978
Energy: 1.869520120623948
Energy: 1.5594136618681862
Energy: 1.493287243303751
Energy: 1.5594136618689933
Energy: 1.4418869497566313
Energy: 1.5530326822061613
Energy: 1.5969590233067559
Energy: 1.5530326822077754
Energy: 1.618224246944695
Energy: 1.9190014664693398
Energy: 1.4090181692309776
Energy: 1.9190014664685693
Energy: 1.4812576479636375
Energy: 1.561662745979173
Energy: 1.4880326359700156
Energy: 1.5616627459783665
Energy: 1.5709807211237539
Energy: 1.5678926317713515
Energy: 1.4840395363603394
Energy: 1.567892631774543
Energy: 1.6016906877247252
Energy: 1.734695054416696
Energy: 1.425803019144101
Energy: 1.7346950544142747
Energy: 1.4253608368665172
Energy: 1.7034495109961916
Energy: 1.764522998908396
Energy: 1.7034495109978054
Energy: 1.8286783535886206
Energy: 1.4780173685769862
Energy: 1.4979771346949082
Energy: 1.4780173685769862
Energy: 1.4864990197277779
Energy: 1.6246133235771598
Energy: 1.5949933463345463
Energy: 1.6246133235803877
Energy: 1.439299562405355
Energy: 1.8036508180974222
Energy: 1.4277198901134402
Energy: 1.8036508180990363
Energy: 1.6159048388481019
Energy: 1.6992574855259033
Energy: 1.4316851949693663
Energy: 1.6992574843272286
Energy: 1.4409084530306613
Energy: 1.516475257499598
Energy: 1.4849356931655153
Energy: 1.516475257500405
Energy: 1.3932329203594302
Energy: 2.005516777304283
Energy: 1.4937098879589936
Energy: 2.0055167773058966
Energy: 1.5007385412157512
Energy: 1.74752807675273
Energy: 1.7015297144708872
Energy: 1.747528076750309
Energy: 1.8711934217566786
Energy: 1.7109793387044192
Energy: 1.4303807187498254
Energy: 1.71097933868993
Energy: 1.4954197347507805
Energy: 1.49093089669546
Energy: 1.5193015830176029
Energy: 1.490930896696267
Energy: 1.4578441272113825
Energy: 1.515995922896026
Energy: 1.4837954720835524
Energy: 1.515995922894412
Energy: 1.4226815064602831
Energy: 1.7465429905198122
Energy: 1.5079893914031564
Energy: 1.7465429905182348
Energy: 1.5234966797282945
Energy: 1.6277636186732263
Energy: 1.6295712669960565
Energy: 1.62776361867484
Energy: 1.4523722985127026
Energy: 1.612781987007268
Energy: 1.5031442723378683
Energy: 1.612781987008882
Energy: 1.4737350558116786
Energy: 1.6629510779908012
Energy: 1.7160924710509295
Energy: 1.6629510779924153
Energy: 1.7632324665468488
Energy: 2.252968432496718
Energy: 1.4100521282041918
Energy: 2.2529684324951047
Energy: 1.4736207284389684
Energy: 1.662657456214377
Energy: 1.7533732266510205
Energy: 1.662657456214377

minimum gb energy = 1.3932329203594302 eV
minimum distance =  2.26566617212404 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.3142056352135938
Energy: 1.944710534878084
Energy: 1.662666669223152
Energy: 1.944710534878084
Energy: 1.2497391708839174
Energy: 1.7301532737230951
Energy: 1.4031059508011847
Energy: 1.73015327372144
Energy: 1.2965263245442686
Energy: 1.5764268610592858
Energy: 1.4427905137724952
Energy: 1.5764268610581926
Energy: 1.51430954441781
Energy: 1.7237231254443708
Energy: 1.4017574720943562
Energy: 1.7237231254446517
Energy: 1.400135291069935
Energy: 1.7236277900370156
Energy: 1.4018959581829749
Energy: 1.7236277900364845
Energy: 1.2252546373140705
Energy: 1.5783260174894451
Energy: 1.2251641033574623
Energy: 1.578326017489164
Energy: 1.3329173074441487
Energy: 1.7236312856859006
Energy: 1.40061268021074
Energy: 1.7236312856859006
Energy: 1.4019686828490026
Energy: 1.723807741754651
Energy: 1.514151943871499
Energy: 1.7238077417551818
Energy: 1.4405691261261968
Energy: 1.576397957279812
Energy: 1.2631839387446482
Energy: 1.5763979572800932

minimum gb energy = 1.2251641033574623 eV
minimum distance =  2.33076616400058 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.416424197729731
Energy: 1.4314648023045986
Energy: 1.7048057414577364
Energy: 1.4314648023030743
Energy: 1.6375902105849736
Energy: 1.9959707119299581
Energy: 1.3689541487627894
Energy: 1.9959707119299581
Energy: 1.3876750899373516
Energy: 1.7345695229668228
Energy: 1.6429358705515738
Energy: 1.734569522867031
Energy: 1.3997991533951737
Energy: 1.772979514326089
Energy: 1.4091891202121063
Energy: 1.7729795143253266
Energy: 1.3779598541487137
Energy: 1.4613689113590485
Energy: 1.6454971072432774
Energy: 1.4613689114131023
Energy: 1.3807213792842539
Energy: 1.5776659703230949
Energy: 1.3962904048313833
Energy: 1.5776659703238574
Energy: 1.3323505732696361
Energy: 1.4890068668072065
Energy: 1.3336163235799554
Energy: 1.4890068668079688
Energy: 1.3580951404492956
Energy: 1.526496788750903
Energy: 1.3480820936143345
Energy: 1.5264967887752967
Energy: 1.3839471035475788
Energy: 1.878048286543563
Energy: 1.3041560868069917
Energy: 1.8780482865412762
Energy: 1.4092087095831818
Energy: 1.4869181106202851
Energy: 1.3232443249720371
Energy: 1.4869181106187608
Energy: 1.3419632912158461
Energy: 1.7014103412887167
Energy: 1.3597535301128891
Energy: 1.7014103412910035
Energy: 1.3738490538711374
Energy: 1.9216734446816945
Energy: 1.4274466298812618
Energy: 1.9216734446839816
Energy: 1.413505754177405
Energy: 1.432093273956729
Energy: 1.4373947411330827
Energy: 1.4320932739552044
Energy: 1.4119154923279589
Energy: 1.8296194556508099
Energy: 1.3694854121490398
Energy: 1.8296194556500478
Energy: 1.6112186760333231
Energy: 1.9845616702082005
Energy: 1.3595901463360625
Energy: 1.9845616702082005
Energy: 1.3987399201338706
Energy: 1.726884255865626
Energy: 1.7957796330428248
Energy: 1.726884255865626
Energy: 1.6377085477431177
Energy: 1.757874160924462
Energy: 1.37207351104734
Energy: 1.7578741609259865
Energy: 1.4023951627269375
Energy: 1.5867143243365716
Energy: 1.7815319261244176
Energy: 1.5867143243373338
Energy: 1.3376794864576662
Energy: 1.4887226317935887
Energy: 1.3394066253408543
Energy: 1.4887226317935887
Energy: 1.3408716204646665
Energy: 1.7300481435388908
Energy: 1.4936681881367784
Energy: 1.7300481435411779
Energy: 1.3168782727400747
Energy: 1.6978841564298384
Energy: 1.4102783489744293
Energy: 1.6978841564275513
Energy: 1.3919476625836853
Energy: 1.4895615293623912
Energy: 1.3898056822473834
Energy: 1.4895615293623912
Energy: 1.3609323864688168
Energy: 1.7357731198814559
Energy: 1.3247302397653031
Energy: 1.7357731198837425
Energy: 1.529475295874961
Energy: 1.815719817574844
Energy: 1.3597791561654788
Energy: 1.8157198175733196
Energy: 1.434239506070924
Energy: 1.417168869826852
Energy: 1.4406796060440186
Energy: 1.4171688697803517
Energy: 1.503448175605533
Energy: 1.702535970707949
Energy: 1.3725617119881997
Energy: 1.7025359707201455
Energy: 1.3950878964581248
Energy: 1.650336984649721
Energy: 1.3428652749385392
Energy: 1.6503369846581064
Energy: 1.5880881807664136
Energy: 1.7041124318068883
Energy: 1.3988407579489819
Energy: 1.7041124318053633
Energy: 1.361831157925878
Energy: 2.0743360885332196
Energy: 1.8786092260860552
Energy: 2.0743360885339817
Energy: 1.9138373797993815
Energy: 1.5879510936914976
Energy: 1.4024215573714123
Energy: 1.5879510936914976
Energy: 1.3966779597010321
Energy: 1.4029951172113733
Energy: 1.8815662223331644
Energy: 1.4029951172121353
Energy: 1.6551263837980263
Energy: 1.9892456607351472
Energy: 1.3260670515229074
Energy: 1.989245660737434
Energy: 1.401317777292177
Energy: 1.7016679212109975
Energy: 1.3053989585923436
Energy: 1.7016679212102352

minimum gb energy = 1.3041560868069917 eV
minimum distance =  2.15255555057886 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.3583916996960461
Energy: 1.356741607668725
Energy: 1.7727849073362856
Energy: 1.3567416076697794
Energy: 1.4948284677656636
Energy: 1.9655637543142166
Energy: 1.324233450335066
Energy: 1.9655637543142166
Energy: 1.2949065711850647
Energy: 1.7561206964165712
Energy: 1.9772716213812345
Energy: 1.7561206964176252
Energy: 1.527435388686613
Energy: 1.4323899797230029
Energy: 1.3217371257701451
Energy: 1.4323899797219488
Energy: 1.2761134078652385
Energy: 1.8408930126189678
Energy: 1.6663782844891493
Energy: 1.8408930126200218
Energy: 1.258655495676165
Energy: 1.6885905729401198
Energy: 1.3211176726194285
Energy: 1.6885905729401198
Energy: 1.2665620337230528
Energy: 1.4714035172955215
Energy: 1.2828513575118674
Energy: 1.4714035172965754
Energy: 1.2672234440206187
Energy: 1.7222837627611256
Energy: 1.307980692174053
Energy: 1.7222837626147147
Energy: 1.357190699207814
Energy: 1.3534972662258213
Energy: 1.3148552933770936
Energy: 1.3534972662258213
Energy: 1.3568310728333581
Energy: 1.3560839702429295
Energy: 1.3121901652230827
Energy: 1.3560839702429295
Energy: 1.266602605342177
Energy: 1.7654429839902912
Energy: 1.2934346455485999
Energy: 1.765442983988183
Energy: 1.2677078545580645
Energy: 1.471249860953727
Energy: 1.3362232835956775
Energy: 1.471249860953727
Energy: 1.254298875403922
Energy: 1.7106862262604912
Energy: 1.321913167305902
Energy: 1.7106862262594371
Energy: 1.2673608280933704
Energy: 1.7874711790175273
Energy: 1.739836276670679
Energy: 1.7874711790196356
Energy: 1.5276823678842544
Energy: 1.4312859692043036
Energy: 1.3216612634475462
Energy: 1.4312859692032494
Energy: 1.2948802954852843
Energy: 1.671240084059175
Energy: 1.79755858560197
Energy: 1.671240084058121
Energy: 1.7518993353215462
Energy: 1.959747901501892
Energy: 1.3243430341375853
Energy: 1.959747901502946
Energy: 1.3583916996960461
Energy: 1.3567416076676715
Energy: 1.69915276730206
Energy: 1.3567416076697794
Energy: 1.494828466098993
Energy: 1.9655637543152706
Energy: 1.324233450337174
Energy: 1.9655637543152706
Energy: 1.2949065711850647
Energy: 1.7561206964165712
Energy: 1.9772716213812345
Energy: 1.7561206964155172
Energy: 1.527435388685559
Energy: 1.4323899797219488
Energy: 1.3217371257690909
Energy: 1.4323899797208945
Energy: 1.2761134078662926
Energy: 1.8408930126200218
Energy: 1.6663782844965271
Energy: 1.8408930126189678
Energy: 1.258655495664571
Energy: 1.6885905729453898
Energy: 1.3211176726183744
Energy: 1.6885905729453898
Energy: 1.2665620337241066
Energy: 1.4714035172965754
Energy: 1.2828513575065972
Energy: 1.4714035172976296

minimum gb energy = 1.254298875403922 eV
minimum distance =  2.29413687452476 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.3272553262636648
Energy: 1.326216683721367
Energy: 1.7045865858183276
Energy: 1.3262166837161553
Energy: 1.7047144242671775
Energy: 1.539707408887814
Energy: 1.301601722539181
Energy: 1.5397074088754366
Energy: 1.293493878062909
Energy: 1.5134843886413798
Energy: 1.6468345603058971
Energy: 1.5134843886368197
Energy: 1.4999777841837383
Energy: 1.5067248051912874
Energy: 1.2836577738183803
Energy: 1.506724805195196
Energy: 1.2656463456869245
Energy: 1.8716221148987195
Energy: 1.6542785518877887
Energy: 1.8716221148980678
Energy: 1.2675377486320052
Energy: 1.8623775107376228
Energy: 1.3059546554256516
Energy: 1.86237751074088
Energy: 1.305423338801811
Energy: 1.3716623022996512
Energy: 1.3430113783912598
Energy: 1.371662302233854
Energy: 1.2814610597651441
Energy: 1.6282196062621797
Energy: 1.281398632843687
Energy: 1.6282196062634828
Energy: 1.3273711882270105
Energy: 1.6346177002579887
Energy: 1.3104303574763174
Energy: 1.634617700252836
Energy: 1.3301842452759154
Energy: 1.5654313336252184
Energy: 1.2867750972882208
Energy: 1.5654313336323256
Energy: 1.298404095157286
Energy: 1.7449285038013034
Energy: 1.3015883038785105
Energy: 1.744928503796743
Energy: 1.3143702473958379
Energy: 1.3719214421443549
Energy: 1.263096153551064
Energy: 1.3719214421443549
Energy: 1.2783831411986124
Energy: 1.8308549408646584
Energy: 1.3009470731148882
Energy: 1.8308549408640067
Energy: 1.3015834616911262
Energy: 1.3922905698790762
Energy: 1.452741905319194
Energy: 1.3922905628744051
Energy: 1.3012634244516823
Energy: 1.7618390961089425
Energy: 1.439071162808285
Energy: 1.761839096108291
Energy: 1.2788339017223984
Energy: 1.7212158134658733
Energy: 1.6371376991675386
Energy: 1.7212158134632676
Energy: 1.3081393343888497
Energy: 1.595022450809455
Energy: 1.3007204982504745
Energy: 1.5950224508042434
Energy: 1.2787437920509468
Energy: 1.4794996067546458
Energy: 1.7321585755126698
Energy: 1.4794996067605088
Energy: 1.6519388962506674
Energy: 1.9431842849989949
Energy: 1.29317914881902
Energy: 1.9431842849963892
Energy: 1.2961255700174485
Energy: 1.3116840461702148
Energy: 1.799802975934391
Energy: 1.3116840461715176
Energy: 1.3167487656366739
Energy: 1.5232100830150552
Energy: 1.2976479760261823
Energy: 1.5232100867449574
Energy: 1.304400809974484
Energy: 1.721405051864989
Energy: 1.5921219504442945
Energy: 1.7214050518539732
Energy: 1.616723565110635
Energy: 1.5199793973833093
Energy: 1.2984274004423206
Energy: 1.519979400092789
Energy: 1.2938041997124243
Energy: 1.7491733263439317
Energy: 1.669779342519999
Energy: 1.7491733263537037
Energy: 1.293293050273382
Energy: 1.4657430648335628
Energy: 1.2813073475685857
Energy: 1.4657430648322598
Energy: 1.3075044420511652
Energy: 1.4007899276456721
Energy: 1.3008823968466345
Energy: 1.4007899276437177
Energy: 1.4792386771904458
Energy: 1.788844424616552
Energy: 1.3118186772747822
Energy: 1.7888444246132948
Energy: 1.440891167860935
Energy: 1.7914436125243045
Energy: 1.283516314879693
Energy: 1.7914436125301676
Energy: 1.3472706275979125
Energy: 1.5909935237964647
Energy: 1.2954616600356648
Energy: 1.5909935237990704
Energy: 1.2778211884943504
Energy: 1.8511795954538697
Energy: 1.3103828703868043
Energy: 1.8511795954558241
Energy: 1.2867917360082508
Energy: 1.3976624497251213
Energy: 1.319934561151703
Energy: 1.3976624497251213
Energy: 1.294686327812763
Energy: 1.7501132032621198
Energy: 1.302041835297034
Energy: 1.7501132033272657
Energy: 1.3126672405386903
Energy: 1.5660636047227636
Energy: 1.5224915623226465
Energy: 1.566063600852857
Energy: 1.3134417007946073
Energy: 1.629316778955649
Energy: 1.3109898477437814
Energy: 1.6293167789523915
Energy: 1.2660683203018004
Energy: 1.7087769871131375
Energy: 1.4147556596770359
Energy: 1.7087769871092287
Energy: 1.3343743869943447
Energy: 1.3875145881100988
Energy: 1.3022486380802538
Energy: 1.3875145880957667
Energy: 1.2985933578652604
Energy: 1.83678367725701
Energy: 1.2409424363713912
Energy: 1.8367836772615704
Energy: 1.470232153019417
Energy: 1.7559598397114022
Energy: 1.3023725269623418
Energy: 1.7559598397114022

minimum gb energy = 1.2409424363713912 eV
minimum distance =  2.21219568657268 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.1648088357873694
Energy: 1.1641716978240253
Energy: 1.4194698339457976
Energy: 1.1641716978240253
Energy: 1.1893254937650484
Energy: 1.2021164914521243
Energy: 1.1869312753795016
Energy: 1.202116491453829
Energy: 1.1861794808776704
Energy: 1.8423909068219197
Energy: 1.9668162751445504
Energy: 1.8423909068219197
Energy: 1.407826592689032
Energy: 1.2021657740826237
Energy: 1.186920639962757
Energy: 1.2021657740826237
Energy: 1.1858101502194605
Energy: 1.6323060127947822
Energy: 1.920831425036963
Energy: 1.6323060127947822
Energy: 1.1846366651357045
Energy: 1.1649293684964162
Energy: 1.1680117429944674
Energy: 1.1649293684981206
Energy: 1.1860035856172477
Energy: 1.3602151047870372
Energy: 1.178996998852403
Energy: 1.3602151047887419
Energy: 1.1471498761694474
Energy: 1.7956905304534703
Energy: 1.1863404902239518
Energy: 1.795690530455175
Energy: 1.1859634846213294
Energy: 1.2714570890985257
Energy: 1.1997237788732062
Energy: 1.2714570890968209
Energy: 1.2345422852782553
Energy: 1.6425071712430361
Energy: 1.1850834605909921
Energy: 1.6425071712430361
Energy: 1.1780553908954494
Energy: 1.2029235592808702
Energy: 1.1872062529506189
Energy: 1.2029235592808702
Energy: 1.189158740301025
Energy: 1.3619464480191936
Energy: 1.186543210339504
Energy: 1.3619464480191936
Energy: 1.1860161988462719
Energy: 1.615341998285827
Energy: 1.1823118868884346
Energy: 1.615341998285827
Energy: 1.1851336735272096
Energy: 1.268211367783892
Energy: 1.1848858938798226
Energy: 1.2682113677821873
Energy: 1.1479474882941605
Energy: 1.6148646977952583
Energy: 1.1865194308041056
Energy: 1.614864697796963

minimum gb energy = 1.1471498761694474 eV
minimum distance =  2.21868299384136 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.1335977144096685
Energy: 1.5804719369446885
Energy: 1.6595749559552713
Energy: 1.5804719369439741
Energy: 1.5533165428245201
Energy: 1.6292240766730446
Energy: 1.0809147334798308
Energy: 1.629224076686619
Energy: 1.0937362795203
Energy: 1.6381613996734705
Energy: 1.5916700045787056
Energy: 1.6381613996784716
Energy: 1.3702455016189563
Energy: 1.6150916225723302
Energy: 1.081233825157361
Energy: 1.6150916225751881
Energy: 1.1019348680667986
Energy: 1.8594773654279029
Energy: 1.1494252620042267
Energy: 1.8594773654293315
Energy: 1.0871678718600806
Energy: 1.36399997707734
Energy: 1.108713524684144
Energy: 1.3639999770809124
Energy: 1.0992828621532846
Energy: 1.794091073184929
Energy: 1.513102091556559
Energy: 1.7940910731863582
Energy: 1.0770760332811589
Energy: 1.6766977501415827
Energy: 1.108796571620604
Energy: 1.6766977501372962
Energy: 1.100819694540163
Energy: 1.701567960698096
Energy: 1.4081009032842176
Energy: 1.7015679606988108
Energy: 1.3668550425262544
Energy: 1.8653007415343363
Energy: 1.0778484199964518
Energy: 1.8653007415300495
Energy: 1.099960482316245
Energy: 1.4719879493598493
Energy: 1.124060738838074
Energy: 1.4719879493591348
Energy: 1.6275582017309518
Energy: 1.881821294187865
Energy: 1.0889904400883077
Energy: 1.8818212941885795
Energy: 1.1453877184437242
Energy: 1.5910500947012418
Energy: 1.1169040233026706
Energy: 1.5910500946990982
Energy: 1.6444952218508961
Energy: 1.6385846210880068
Energy: 1.0878768257141205
Energy: 1.638584621089436
Energy: 1.1009308155435023
Energy: 1.6436442089291756
Energy: 1.1009824625364573
Energy: 1.64364420892989
Energy: 1.1015952778844347
Energy: 1.420766161211267
Energy: 1.0852521500478527
Energy: 1.4207661612134104
Energy: 1.1046678624853867
Energy: 1.8004551138194824
Energy: 1.085713571459582
Energy: 1.8004551138216258
Energy: 1.1202377360776803
Energy: 1.664180855821161
Energy: 1.1227673422417626
Energy: 1.6641808558233042
Energy: 1.1045499856691048
Energy: 1.8209460688008487
Energy: 1.1223448010838508
Energy: 1.8209460688051353
Energy: 1.104351562007376
Energy: 1.8233543768247935
Energy: 1.1227380421121032
Energy: 1.8233543768262224
Energy: 1.1205801757872753
Energy: 1.6717735977826695
Energy: 1.12218239861332
Energy: 1.671773597781955
Energy: 1.1043469705064264
Energy: 1.8006988070472563
Energy: 1.0853579914372946
Energy: 1.800698807051543
Energy: 1.1164527810438278
Energy: 1.420304612011299
Energy: 1.086071776674562
Energy: 1.420304612007727
Energy: 1.101312702268092
Energy: 1.6437453185530086
Energy: 1.0986960570569
Energy: 1.6437453185501512
Energy: 1.6444805397897428
Energy: 1.6251826859187992
Energy: 1.0875380697942814
Energy: 1.6251826859180847
Energy: 1.1443894620818311
Energy: 1.6282094486851035
Energy: 1.100443710928142
Energy: 1.628209448684389
Energy: 1.6346850379834037
Energy: 1.870896327818888
Energy: 1.0834458128432138
Energy: 1.870896327820317
Energy: 1.1001419239255188
Energy: 1.4721184011952397
Energy: 1.1041452650384551
Energy: 1.4721184011902388
Energy: 1.3667296168349772
Energy: 1.8617852096224536
Energy: 1.0777557065596062
Energy: 1.8617852096153091
Energy: 1.1006779112258893
Energy: 1.7009301667536145
Energy: 1.3480947217947088
Energy: 1.7009301667550434
Energy: 1.0738127517997769
Energy: 1.6900948328809633
Energy: 1.108868256048821
Energy: 1.6900948328816778
Energy: 1.100699681870428
Energy: 1.7781725439830856
Energy: 1.6431044693037886
Energy: 1.7781725439866578
Energy: 1.0866208945921354
Energy: 1.3745777584934358
Energy: 1.1086712966081378
Energy: 1.3745777585070102
Energy: 1.1019335226331988
Energy: 1.8599513343178038
Energy: 1.5230685148456908
Energy: 1.859951334321376
Energy: 1.1332143445680323
Energy: 1.615084036833522
Energy: 1.0811836934044272
Energy: 1.6150840368328077

minimum gb energy = 1.0738127517997769 eV
minimum distance =  2.1944475017178 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.252375262492546
Energy: 1.250924978993424
Energy: 1.293229585256189
Energy: 1.2509249789921948
Energy: 1.2813548614328272
Energy: 1.4054121859719746
Energy: 0.9874113405660561
Energy: 1.4054121859719746
Energy: 1.0244610348888596
Energy: 1.8429602783426666
Energy: 1.6684408868308787
Energy: 1.842960278345125
Energy: 1.5945980434149944
Energy: 1.2356392907314393
Energy: 1.002650125550592
Energy: 1.2356392907314393
Energy: 1.0003231025822528
Energy: 1.4037444449609249
Energy: 1.237858051585428
Energy: 1.4037444449596954
Energy: 1.0239918777362684
Energy: 1.591162734324479
Energy: 1.197389660492303
Energy: 1.591162734324479
Energy: 1.0159871174960018
Energy: 1.8847334458212313
Energy: 1.7638425264837934
Energy: 1.8847334458224603
Energy: 0.9890314467992029
Energy: 1.034155871053366
Energy: 1.037028714752568
Energy: 1.034155871052137
Energy: 0.9875822813790454
Energy: 1.4980517904254274
Energy: 1.5219040194150597
Energy: 1.4980517904254274
Energy: 1.4319742290086326
Energy: 1.8470327418315549
Energy: 1.1974237117398137
Energy: 1.8470327418315549
Energy: 1.015404945483513
Energy: 1.7161436180082783
Energy: 1.1936360730481725
Energy: 1.7161436180082783
Energy: 1.7324137389850551
Energy: 1.4331114660065944
Energy: 1.0019689877195
Energy: 1.4331114660078237
Energy: 1.1938401104172998
Energy: 1.6974189728615314
Energy: 1.0429470616069498
Energy: 1.6974189728615314
Energy: 1.7660113486036737
Energy: 1.7876702734470375
Energy: 0.9863443338383733
Energy: 1.7876702734458085
Energy: 1.2519003815036795
Energy: 1.2781428968797348
Energy: 0.9853498422482821
Energy: 1.2781428968797348
Energy: 1.4418960655424446
Energy: 1.4980618646824384
Energy: 0.9861646386060862
Energy: 1.4980618646824384
Energy: 1.1939024405077934
Energy: 1.8179068295231176
Energy: 0.9838714743364668
Energy: 1.8179068295243466
Energy: 1.1915501005974145
Energy: 1.7382422037610963
Energy: 1.0031404398199562
Energy: 1.7382422037561795
Energy: 1.0025923262706893
Energy: 1.4347863165196044
Energy: 0.9981996778647972
Energy: 1.4347863165196044
Energy: 1.003541612163265
Energy: 1.6737441590380178
Energy: 1.1926425872283455
Energy: 1.6737441590380178

minimum gb energy = 0.9838714743364668 eV
minimum distance =  2.21142481102041 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.9396608149622174
Energy: 1.4614620122669497
Energy: 1.185276880574337
Energy: 1.4614620122698292
Energy: 1.4904139945626398
Energy: 1.510987413682081
Energy: 0.8918193341207344
Energy: 1.5109874136878398
Energy: 0.8860195978109622
Energy: 0.8861752727671721
Energy: 1.6445091693690703
Energy: 0.8861752727690917
Energy: 0.9189182669973834
Energy: 1.5487927766272493
Energy: 0.8915857899352568
Energy: 1.5487927766109324
Energy: 0.890281361824302
Energy: 1.5187324208818995
Energy: 1.2550577699197358
Energy: 1.5187324208876585
Energy: 1.2612301340845973
Energy: 1.522923090158362
Energy: 0.8911208562592482
Energy: 1.522923090197671
Energy: 0.8929419112562561
Energy: 1.1808062875972898
Energy: 0.9200551306491959
Energy: 1.1808062875992094
Energy: 1.2119212632779606
Energy: 1.2398882657940393
Energy: 0.8877005383503946
Energy: 1.239888265794999
Energy: 0.8914838335028689
Energy: 1.525946013660969
Energy: 1.4913354772754708
Energy: 1.5259460136264589
Energy: 0.860996298069154
Energy: 1.523354896870886
Energy: 0.941048498939985
Energy: 1.5233548968632509
Energy: 0.8931302603567792
Energy: 1.2013012069710085
Energy: 1.4699809950642078
Energy: 1.2013012069719682
Energy: 1.5579705075922143
Energy: 1.6258537495875434
Energy: 0.8877294607755599
Energy: 1.6258537495865837
Energy: 0.8914542840071393
Energy: 1.5227897572053284
Energy: 1.1644324813344353
Energy: 1.5227897572149265
Energy: 1.6134167915088327
Energy: 1.6215953502015465
Energy: 0.8911939787927873
Energy: 1.6215953502015465
Energy: 0.8927657823153557
Energy: 1.1814449885988019
Energy: 0.8586978884484088
Energy: 1.1814449885959226
Energy: 1.3558368378047747
Energy: 1.6431853506838077
Energy: 0.895653300167679
Energy: 1.6431853506857275
Energy: 0.89202592166904
Energy: 1.2406644410983534
Energy: 0.8889827141391546
Energy: 1.2406644410983534
Energy: 1.3544701345166326
Energy: 1.5301632349313248
Energy: 0.8915991136952205
Energy: 1.5301632349303649
Energy: 0.9442541592547671
Energy: 1.497231239319394
Energy: 0.8609185403436788
Energy: 1.4972312393174745
Energy: 1.4712952478420898
Energy: 1.6328514047902214
Energy: 0.8955256864477638
Energy: 1.6328514047902214
Energy: 0.8915913735223192
Energy: 1.6430208304394516
Energy: 0.8768586806302534
Energy: 1.643020830440411
Energy: 0.8883939600160695
Energy: 1.4912654270083352
Energy: 0.8914206607174686
Energy: 1.4912654270102548
Energy: 0.8937368020044723
Energy: 1.572993649297276
Energy: 1.2270909527990594
Energy: 1.572993649297276
Energy: 0.8589281103133449
Energy: 1.6330969363974568
Energy: 0.8925208396762507
Energy: 1.6330969363993768
Energy: 0.8953219234145974
Energy: 1.642936901542279
Energy: 1.2011659391619804
Energy: 1.642936901543239
Energy: 0.8604514279408395
Energy: 1.264451578786628
Energy: 0.8931165889367972
Energy: 1.2644515787847084

minimum gb energy = 0.8586978884484088 eV
minimum distance =  2.18764200180433 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.3140306096208967
Energy: 1.3001045606551858
Energy: 1.3836594109740115
Energy: 1.300104560615054
Energy: 1.322455973102485
Energy: 1.372927144656564
Energy: 0.7879560953520118
Energy: 1.372927144658138
Energy: 0.8172291396527775
Energy: 1.271704520313845
Energy: 1.5704301082454963
Energy: 1.271704520315419
Energy: 1.066479586352784
Energy: 1.3144111390296245
Energy: 0.7878134798734383
Energy: 1.314411139027264
Energy: 0.7868754455971829
Energy: 1.3325903400211858
Energy: 1.170586800836348
Energy: 1.3325903398929937
Energy: 0.8119981870479284
Energy: 1.3472751165591121
Energy: 0.7877437943095433
Energy: 1.3472751165591121
Energy: 0.7749949298769183
Energy: 1.3343884063659432
Energy: 0.8126832464151839
Energy: 1.3343884063659432
Energy: 1.1731414567653666
Energy: 1.095608632317531
Energy: 0.7880270330358438
Energy: 1.0956086323183178
Energy: 0.7852367213770004
Energy: 1.4152364662240595
Energy: 1.0673316282349221
Energy: 1.415236466222486
Energy: 1.1353903151258964
Energy: 1.386724551141904
Energy: 0.8183737171151756
Energy: 1.386724551141904
Energy: 0.7835247561746215
Energy: 1.2821095506133515
Energy: 1.5662003067335535
Energy: 1.2821095505512223
Energy: 1.264309076180528
Energy: 1.3167422158271374
Energy: 1.315667364646589
Energy: 1.316742215862548
Energy: 0.7890426719323237
Energy: 1.4221946690311709
Energy: 1.561966561597231
Energy: 1.4221946690335316
Energy: 1.4518064127932222
Energy: 1.5709817420302807
Energy: 0.8184411595711636
Energy: 1.5709817420302807
Energy: 0.7837326550304378
Energy: 1.2817382138687412
Energy: 1.0666331377180325
Energy: 1.2817382138711018
Energy: 1.6209421714465193
Energy: 1.4204424799347715
Energy: 0.7878820130656731
Energy: 1.4204424799355584
Energy: 0.7829172513355533
Energy: 1.4246188794809977
Energy: 1.0367250325031994
Energy: 1.424618879479424
Energy: 1.217770274117983
Energy: 1.5705477916992157
Energy: 0.783895242540743
Energy: 1.570547791697642
Energy: 0.7833648117597148
Energy: 1.0887786590569213
Energy: 0.7573640796298797
Energy: 1.0887786590584951
Energy: 1.206455985461492
Energy: 1.418964966787987
Energy: 0.792395385277269
Energy: 1.4189649667895607
Energy: 0.9036181099999198
Energy: 1.4888158807339156
Energy: 0.8085549222292339
Energy: 1.4888158807299812
Energy: 1.5025748168547757
Energy: 1.5821539927575414
Energy: 0.7879183538020788
Energy: 1.5821539927583284
Energy: 1.3182440559506228
Energy: 1.3422625909203112
Energy: 0.75392429050243
Energy: 1.3422625909242456
Energy: 1.4244252380912996
Energy: 1.4529248752624628
Energy: 0.7858084400543488
Energy: 1.4529248752640367
Energy: 0.8209098176906794
Energy: 1.5080663340869889
Energy: 0.7590085473881285
Energy: 1.5080663340869889
Energy: 1.2729031045402013
Energy: 1.5087597834838116
Energy: 0.7802967816016667
Energy: 1.5087597834861723
Energy: 0.7838225948587656
Energy: 1.4599520760001803
Energy: 1.0748123297872334
Energy: 1.4599520760009672
Energy: 0.7793134652040166
Energy: 1.4055665675954752
Energy: 0.7924487901628717
Energy: 1.4055665675876063
Energy: 0.7827502540618563
Energy: 1.5084901060061235
Energy: 1.207540486099809
Energy: 1.5084901060061235
Energy: 0.7600638387945123
Energy: 1.4555355198342705
Energy: 0.7879983296208858
Energy: 1.4555355198342705
Energy: 0.78648653570995
Energy: 1.4329680349414509
Energy: 1.2130334636689333
Energy: 1.432968034939877
Energy: 0.774541795643238
Energy: 1.4730359960887949
Energy: 0.9068594934892874
Energy: 1.4730359960903687

minimum gb energy = 0.75392429050243 eV
minimum distance =  2.27371922663547 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.174443984832217
Energy: 1.3480499777594184
Energy: 1.471931118123536
Energy: 1.3480499777580852
Energy: 1.8630769956948066
Energy: 1.2491515151453603
Energy: 0.8039156044382821
Energy: 1.2491515151446932
Energy: 0.7513590497875691
Energy: 1.16296611334317
Energy: 1.4951756507334548
Energy: 1.1629661133405036
Energy: 1.1610223716272048
Energy: 1.2932936666505521
Energy: 0.8038368581370375
Energy: 1.2932936666518853
Energy: 0.733172012474379
Energy: 1.4987189090366495
Energy: 1.109006859529345
Energy: 1.4987189090326498
Energy: 0.9487268207875742
Energy: 1.2676797510565507
Energy: 0.8039409344688179
Energy: 1.267679751054551
Energy: 0.8719957857843678
Energy: 1.1787631064305966
Energy: 0.7291404468220343
Energy: 1.1787631064279303
Energy: 0.7311539563429057
Energy: 1.1674359730764492
Energy: 0.7979156367710113
Energy: 1.1674359733469721
Energy: 0.804911592144233
Energy: 1.4212694350556292
Energy: 0.9477651639169049
Energy: 1.4212694350436301
Energy: 1.1070999585511063
Energy: 1.3279299296250555
Energy: 0.802817314990331
Energy: 1.327929929624389
Energy: 0.8039292910907224
Energy: 1.2771495834163085
Energy: 1.1644403242391264
Energy: 1.277149583411642
Energy: 1.0814333656554869
Energy: 1.164807099614032
Energy: 0.8298614929321594
Energy: 1.1648070996120323
Energy: 0.80468473190295
Energy: 1.359447737516874
Energy: 1.6926611069935285
Energy: 1.3594477375155407
Energy: 1.1807124384581578
Energy: 1.3855848511071356
Energy: 1.1756170975407885
Energy: 1.3855848511064692
Energy: 0.8038816951837758
Energy: 1.266500036383056
Energy: 1.3686824380735845
Energy: 1.266500036392389
Energy: 1.4363670920782623
Energy: 1.163709023914195
Energy: 0.8295060521305088
Energy: 1.1637090237509355
Energy: 0.8046375712462607
Energy: 1.3602243842568855
Energy: 1.1645149988566408
Energy: 1.3602243842588855
Energy: 1.4723116919258086
Energy: 1.3949246876788817
Energy: 0.8030547870954101
Energy: 1.394924687679548
Energy: 0.7207159552263279
Energy: 1.259396357159735
Energy: 0.9462449236667135
Energy: 1.2593963571624016
Energy: 0.9821332274067488
Energy: 1.2626287518080639
Energy: 0.7960264154437184
Energy: 1.2626287518067305
Energy: 0.8047835062787477
Energy: 1.2837405439169816
Energy: 0.9312884027392065
Energy: 1.283740543612461
Energy: 1.0889135411715871
Energy: 1.3938602403759872
Energy: 0.8771800587557692
Energy: 1.3938602403633218
Energy: 0.803784478593229
Energy: 1.3244926873405072
Energy: 0.6843003030424781
Energy: 1.3244926873411735
Energy: 1.4822909834565268
Energy: 1.2598903806326167
Energy: 0.7971278775666857
Energy: 1.2598903806292834
Energy: 0.7587384167107215
Energy: 1.3656830133976499
Energy: 0.7490113105602849
Energy: 1.3656830134003164
Energy: 1.3410843055789217
Energy: 1.3938887745370119
Energy: 0.8754243413362135
Energy: 1.3938887745343456
Energy: 1.1764767557671911
Energy: 1.3490956007566164
Energy: 0.711370232202074
Energy: 1.349095600757283
Energy: 1.5268778861734904
Energy: 1.2811797493626413
Energy: 0.7971309428502327
Energy: 1.281179749363308
Energy: 0.7583604423196518
Energy: 1.4843304925750973
Energy: 0.7557668897534379
Energy: 1.4843304925710976
Energy: 1.266867288038662
Energy: 1.360446567618343
Energy: 0.8757239043917567
Energy: 1.3604465676176762
Energy: 0.8039165870229701
Energy: 1.3584245860112332
Energy: 0.9744923557036249
Energy: 1.3584245860118997
Energy: 1.1476051193420698
Energy: 1.257471898125275
Energy: 0.7221632358341735
Energy: 1.2574718981226087
Energy: 0.7969929635899712
Energy: 1.4959200636180512
Energy: 0.9827675879879356
Energy: 1.4959200636193843
Energy: 0.7272419787513779
Energy: 1.2821834935381216
Energy: 0.8065223501477143
Energy: 1.282183493538788
Energy: 0.7884802507877583
Energy: 1.3588447508291157
Energy: 1.0863481108436157
Energy: 1.3588447508284491
Energy: 0.7086015339242409
Energy: 1.3195068033862474
Energy: 0.7979929992061533
Energy: 1.3195068033869137
Energy: 0.7242674348091803
Energy: 1.3686808665986723
Energy: 1.3688187639910623
Energy: 1.3686808665986723

minimum gb energy = 0.6843003030424781 eV
minimum distance =  2.17787195348344 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.1947426343110452
Energy: 1.2656217014217557
Energy: 1.243337431190666
Energy: 1.26562170142349
Energy: 1.7094508583758259
Energy: 1.194602047593158
Energy: 0.7213248220538764
Energy: 1.1946020476440091
Energy: 1.153463410963194
Energy: 1.137132642221364
Energy: 1.3396501825193132
Energy: 1.1371326422219419
Energy: 1.3254899893378302
Energy: 1.1777983514226897
Energy: 0.7238359677072232
Energy: 1.1777983514226897
Energy: 0.8594555343410484
Energy: 1.1018855961774836
Energy: 0.8880348085438898
Energy: 1.1018855961797962
Energy: 1.1466741130738962
Energy: 1.1550806429420997
Energy: 0.6970720668723855
Energy: 1.1550806429420997
Energy: 0.7661576808615197
Energy: 1.0904339985629954
Energy: 0.7797878659007822
Energy: 1.090433998561261
Energy: 0.963564814928075
Energy: 1.2073873446348262
Energy: 0.7916399561282063
Energy: 1.2073873446481236
Energy: 0.7911642348261708
Energy: 1.0530560427702007
Energy: 0.9676304686451365
Energy: 1.0530560427696223
Energy: 0.7799875082182315
Energy: 1.115654036158358
Energy: 0.7637716576484612
Energy: 1.1156540361589364
Energy: 0.7287177847296454
Energy: 1.175551812880629
Energy: 1.1501470265074185
Energy: 1.1755518128823632
Energy: 1.123517264880316
Energy: 1.2694205107897287
Energy: 0.8326953360896624
Energy: 1.2694205107556178
Energy: 0.7196738480418693
Energy: 1.0550618696335492
Energy: 1.5288375584923892
Energy: 1.0550618696295022
Energy: 1.392472318009153
Energy: 1.203284677680453
Energy: 1.154148512317875
Energy: 1.203284677680453
Energy: 0.7283468199363448
Energy: 1.1692547871327454
Energy: 1.7368932126850667
Energy: 1.1692547871339019
Energy: 1.0483839477957213
Energy: 1.2470756385680088
Energy: 1.0951135063595527
Energy: 1.2470756385691653
Energy: 0.7199737440926962
Energy: 1.0577621953383698
Energy: 1.6454437952619863
Energy: 1.0577621953360572
Energy: 0.8639202432553678
Energy: 1.1910859609991389
Energy: 1.1541890562847312
Energy: 1.191085960996248
Energy: 0.724946821972197
Energy: 1.1712570398860795
Energy: 1.5291708253994778
Energy: 1.1712570398866575
Energy: 0.853840094738205
Energy: 1.4496720401677814
Energy: 0.8328524853862853
Energy: 1.4496720401672032
Energy: 0.6897488372915386
Energy: 1.00333941071727
Energy: 1.365712177198513
Energy: 1.0033394107184261
Energy: 0.9502363030430458
Energy: 1.1018203601758774
Energy: 0.7637611463889847
Energy: 1.1018203601758774
Energy: 0.7618107896107352
Energy: 1.2031750754272958
Energy: 0.9630323232676133
Energy: 1.203175075427874
Energy: 0.9633702309575123
Energy: 1.3250450541049508
Energy: 0.7916778654391837
Energy: 1.3250450541037946
Energy: 0.7885544897757925
Energy: 1.0047498310700442
Energy: 0.7802232780083576
Energy: 1.004749831069466
Energy: 1.3159852873320756
Energy: 1.1903960059799348
Energy: 0.7862473072379011
Energy: 1.1903960059788048
Energy: 0.8361221715313597
Energy: 1.2292146865851157
Energy: 0.7032802952185807
Energy: 1.229214686586272
Energy: 1.422094041661319
Energy: 1.3309177147996267
Energy: 0.6589341717401302
Energy: 1.3309177147978923
Energy: 1.1856140808256355
Energy: 1.1839933917296503
Energy: 0.6422084698509849
Energy: 1.1839933917284937
Energy: 1.7358696944368783
Energy: 1.1699250615432397
Energy: 0.7266809492869365
Energy: 1.1699250615432397
Energy: 1.1974974264332234
Energy: 1.2597200229304537
Energy: 0.6089594817796102
Energy: 1.259720022931032
Energy: 1.720728798477007
Energy: 1.3045988412118965
Energy: 0.6900577209655606
Energy: 1.3045988412471374
Energy: 1.1856593144082863
Energy: 1.1835111372714129
Energy: 0.6044657177766257
Energy: 1.183511137270861
Energy: 1.4257506338477852
Energy: 1.1790768731103884
Energy: 0.7306104722405897
Energy: 1.1790768731103884
Energy: 0.8341831117872067
Energy: 1.2466939319019679
Energy: 0.8523356860818116
Energy: 1.2466939319019679
Energy: 1.1969444827078275
Energy: 1.241577305070874
Energy: 0.7215978199548969
Energy: 1.2415773050697176
Energy: 0.7886581053079257
Energy: 1.1591832997861689
Energy: 0.9499777716484451
Energy: 1.159183299790216
Energy: 1.0845747874690141
Energy: 1.207291134511711
Energy: 0.7667361485953071
Energy: 1.207291134511711
Energy: 0.7613295329823071
Energy: 1.2558689360206365
Energy: 0.9634830117266034
Energy: 1.2558689360212145
Energy: 0.7211697922979029
Energy: 1.2281771352379904
Energy: 0.8326023360091726
Energy: 1.2281771352391468
Energy: 0.7865132318432407
Energy: 1.1556961738261742
Energy: 1.3076364396514917
Energy: 1.1556961738267524
Energy: 0.7029242839988568
Energy: 1.2230510520789932
Energy: 0.9963598025136622
Energy: 1.2230510520795714
Energy: 0.7230783959192912
Energy: 1.2556162031116422
Energy: 1.4137150956040643
Energy: 1.2556162031133766

minimum gb energy = 0.6044657177766257 eV
minimum distance =  2.18175443860907 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.018633053697102112
Energy: 0.019612753427866354
Energy: 0.7905879189393427
Energy: 0.0196127534274219
Energy: 0.7902856629829689
Energy: 0.3178779809311277
Energy: 3.7073960276635702
Energy: 0.3178779809311277
Energy: 0.018633053697102112
Energy: 0.0196127534274219
Energy: 0.790520007980619
Energy: 0.0196127534274219
Energy: 0.7902856629838083
Energy: 0.3178779809307326
Energy: 3.7073960276640148
Energy: 0.3178779809315721
Energy: 0.018633053697102112
Energy: 0.0196127534274219
Energy: 0.7905791862549114
Energy: 0.0196127534274219
Energy: 0.7902856629838083
Energy: 0.3178779809307326
Energy: 3.7073960276635702
Energy: 0.3178779809315721

minimum gb energy = 0.018633053697102112 eV
minimum distance =  2.5406068602393 Angstroms
sigma value = 1