Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Fe__MO_984358344196_003
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.868830233812332
cohesive_energy=4.130745590537839
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.014365099519992498
Energy: 0.016702154190679223
Energy: 0.02448667680317996
Energy: 1.7814802309395918
Energy: 0.024486676802267078
Energy: 0.0167021541911487
Energy: 0.014365099519992498
Energy: 0.01670215419000108
Energy: 0.024486676802710473
Energy: 1.7814802309398265
Energy: 0.7584071685138883
Energy: 0.016110887489380967
Energy: 0.01729276429474094
Energy: 0.7499651917571678
Energy: 0.01729276429474094
Energy: 0.016110887487998608
Energy: 0.7584071685127407
Energy: 0.016110887488233347
Energy: 0.0172927642945062
Energy: 0.7499651917567244
Energy: 0.01436509952137486
Energy: 0.016702154189322943
Energy: 0.024486676802710473
Energy: 1.7814802309393574
Energy: 0.024486676802267078
Energy: 0.016702154191383444
Energy: 0.01436509952114012
Energy: 0.016702154189766342
Energy: 0.024486676802501817
Energy: 1.7814802309391484
Energy: 0.7584071685136536
Energy: 0.016110887489615706
Energy: 0.017292764294271457
Energy: 0.7499651917569591
Energy: 0.01729276429474094
Energy: 0.01611088749005911
Energy: 0.7584071685136536
Energy: 0.016110887488911485
Energy: 0.01729276429474094
Energy: 0.7499651917574026
Energy: 0.014365099520905379
Energy: 0.01670215419000108
Energy: 0.024486676802945213
Energy: 1.7814802309391484
Energy: 0.024486676802501817
Energy: 0.016702154189766342
Energy: 0.014365099520905379
Energy: 0.016702154190470563
Energy: 0.024486676802710473
Energy: 1.7814802309398265
Energy: 0.7584071685140972
Energy: 0.016110887488233347
Energy: 0.0172927642940628
Energy: 0.7499651917571678
Energy: 0.017292764294975678
Energy: 0.016110887488676746
Energy: 0.7584071685129494
Energy: 0.01611088748846809
Energy: 0.01729276429474094
Energy: 0.7499651917569591
Energy: 0.01436509952137486
Energy: 0.01670215419023582
Energy: 0.024486676802710473
Energy: 1.7814802309395918
Energy: 0.024486676802032332
Energy: 0.0167021541911487
Energy: 0.01436509952114012
Energy: 0.016702154190913962
Energy: 0.024486676802501817
Energy: 1.7814802309393574

minimum gb energy = 0.014365099519992498 eV
minimum distance =  2.40424112463119 Angstroms
sigma value = 3


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

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Energy: 1.4614958574099146
Energy: 1.4234026747841027
Energy: 1.628673041526883
Energy: 1.4234271399686687
Energy: 1.4614207537709496
Energy: 1.4784633223555834
Energy: 1.4614958574099146
Energy: 1.4234026747874762
Energy: 1.6286730415263209
Energy: 1.3592731923073913
Energy: 1.4024215302377916
Energy: 1.4063138220844293
Energy: 1.392511107226726
Energy: 1.3848719804360075
Energy: 1.323234210674926
Energy: 1.3592731923073913
Energy: 1.402421530240603
Energy: 1.406313822078807
Energy: 1.3925111072261636
Energy: 1.3914134482967748
Energy: 1.3208596513366506
Energy: 1.3641604506934155
Energy: 1.3237574172674413
Energy: 1.3455960880375706
Energy: 1.3253978305050378
Energy: 1.391413448297899
Energy: 1.3208596513338908
Energy: 1.3641604506917289
Energy: 1.3237574172657545
Energy: 1.319730168513529
Energy: 1.3185619612107102
Energy: 1.3414197509561416
Energy: 1.3210926542557886
Energy: 1.333104032863841
Energy: 1.3258440691434341
Energy: 1.3197301685118423
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Energy: 1.3414197509544552
Energy: 1.3210926542585997
Energy: 1.3632733780127504
Energy: 1.349237735463946
Energy: 1.3467930003755528
Energy: 1.3211662291190382
Energy: 1.370365818185602
Energy: 1.338881770683473
Energy: 1.3632733780105526
Energy: 1.3492377354622591
Energy: 1.3467930003744282
Energy: 1.3211662291207247
Energy: 1.326688776383121
Energy: 1.328710596518235
Energy: 1.3205873384125482
Energy: 1.3785650311151905
Energy: 1.3198866740311894
Energy: 1.3484781598232474
Energy: 1.3266887763842452
Energy: 1.328710596518235
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Energy: 1.3470167221149159
Energy: 1.3421872988453136
Energy: 1.388750044079076
Energy: 1.373736473536997
Energy: 1.3170807631439116
Energy: 1.3193991004141545
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Energy: 1.34218729884194
Energy: 1.3887500440779517
Energy: 1.373736473536997
Energy: 1.3275284864734977
Energy: 1.4236495919256775
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Energy: 1.3674410005559852
Energy: 1.32158130701389
Energy: 1.4100783082003268
Energy: 1.3275284864712489
Energy: 1.4236495919273642
Energy: 1.4665963196425633
Energy: 1.3674410005548607
Energy: 1.4032941671955441
Energy: 1.406272798313149
Energy: 1.4673494228748902
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Energy: 1.408585561897639
Energy: 1.5185332288810987
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Energy: 1.4062727983137113
Energy: 1.4673494228754524
Energy: 1.430316444870894
Energy: 1.4522429424718786
Energy: 1.3721829738514346
Energy: 1.533364136886101
Energy: 1.4300220963753127
Energy: 1.4091837872070847
Energy: 1.4473280345957218
Energy: 1.4522429424718786
Energy: 1.3721829738519966
Energy: 1.5333641368849766
Energy: 1.4300220963753127
Energy: 1.3205420522108673
Energy: 1.3905862434380154
Energy: 1.318803633923504
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Energy: 1.3188036339251907
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Energy: 1.3400235231210609
Energy: 1.3206561761096576
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Energy: 1.3496389955654402
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Energy: 1.3171927264169425
Energy: 1.3400235231176876
Energy: 1.317653135657289
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Energy: 1.3467082646228556
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Energy: 1.329765528963212
Energy: 1.3324017578445717
Energy: 1.3177376543456318
Energy: 1.3261918963534067
Energy: 1.3478091616818442
Energy: 1.3465662049575686
Energy: 1.329765528961525
Energy: 1.3324017578445717
Energy: 1.3177376543439447
Energy: 1.3404710620965588
Energy: 1.3171164873243018
Energy: 1.3326284951612792
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Energy: 1.3204557838191053
Energy: 1.340471062099932
Energy: 1.317116487321491
Energy: 1.3326284951612792
Energy: 1.3495629225841579
Energy: 1.3631839034208584
Energy: 1.3186988120732102
Energy: 1.3908809079722377
Energy: 1.3205491189902732
Energy: 1.540248319273557
Energy: 1.3227518051760618
Energy: 1.3631839034191715
Energy: 1.3186988120754592
Energy: 1.3908809079739246
Energy: 1.3205491189868999
Energy: 1.429806191988881
Energy: 1.5333771621269399
Energy: 1.3722523461946199
Energy: 1.4522393798480504
Energy: 1.4474029949212208
Energy: 1.4093654329606586
Energy: 1.4298061919877567
Energy: 1.5333771621263776
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Energy: 1.452239379844677
Energy: 1.4302259792712506
Energy: 1.467386649124572
Energy: 1.4065219110156664
Energy: 1.4032034228932615
Energy: 1.518660586140774
Energy: 1.4100594731075016
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Energy: 1.4673866491290697
Energy: 1.4065219110184772
Energy: 1.4032034228910126
Energy: 1.3674329121825455
Energy: 1.3979654694803676
Energy: 1.423493383594761
Energy: 1.3274301836845839
Energy: 1.4101215673592227
Energy: 1.3218411866964512
Energy: 1.3674329121819828
Energy: 1.3979654694820547
Energy: 1.4234933835936368
Energy: 1.3274301836834594
Energy: 1.3735989507016442
Energy: 1.388726844046293
Energy: 1.3422459175691803
Energy: 1.3467787319114828
Energy: 1.3194669018189908
Energy: 1.3170055123577753
Energy: 1.373598950701082
Energy: 1.3887268440451688
Energy: 1.3422459175703048
Energy: 1.3467787319120448
Energy: 1.378617362919614
Energy: 1.3209669065505802
Energy: 1.328724419189999
Energy: 1.3266887763803097
Energy: 1.3485157736847373
Energy: 1.3195053823452914
Energy: 1.3786173629190517
Energy: 1.3209669065505802
Energy: 1.3287244191916856
Energy: 1.326688776379185
Energy: 1.3211491411929102
Energy: 1.346705527418231
Energy: 1.3491625993651877
Energy: 1.3630318923417786
Energy: 1.3388817706789757
Energy: 1.370414812429057
Energy: 1.321149141191786
Energy: 1.3467055274238533
Energy: 1.3491625993640632
Energy: 1.363031892338405
Energy: 1.321214683590226
Energy: 1.3414659840388108
Energy: 1.3188751995826489
Energy: 1.3197722089756478
Energy: 1.3254596072784852
Energy: 1.333111304250461
Energy: 1.3212146835913505
Energy: 1.3414659840404974
Energy: 1.3188751995837733
Energy: 1.31977220897621
Energy: 1.3237574172736257
Energy: 1.3643181411291505
Energy: 1.3209005544676478
Energy: 1.3913196093944542
Energy: 1.3250042245516245
Energy: 1.3454918099709094
Energy: 1.323757417274188
Energy: 1.3643181411274639
Energy: 1.3209005544665233
Energy: 1.3913196093933298
Energy: 1.3923833803438297
Energy: 1.4061593236214165
Energy: 1.402431960642232
Energy: 1.3593946669233852
Energy: 1.323023397611526
Energy: 1.3847219431531785
Energy: 1.3923833803415808
Energy: 1.4061593236253518
Energy: 1.4024319606405453
Energy: 1.3593946669256343
Energy: 1.3991446372451446
Energy: 1.4234271399664198
Energy: 1.461420753769263
Energy: 1.4784633223538968
Energy: 1.4614958574042924
Energy: 1.4234026747880382
Energy: 1.3991446372395222
Energy: 1.423427139964171
Energy: 1.4614207537703874
Energy: 1.4784633223522101
Energy: 1.392511107227288
Energy: 1.384871980432072
Energy: 1.323234210674364
Energy: 1.35927319230458
Energy: 1.4024215302428518
Energy: 1.406313822078245
Energy: 1.392511107226726
Energy: 1.3848719804315095
Energy: 1.3232342106738015
Energy: 1.3592731923062669
Energy: 1.323757417266317
Energy: 1.3455960880353217
Energy: 1.3253978305044756
Energy: 1.3914134482967748
Energy: 1.3208596513338908
Energy: 1.364160450686158
Energy: 1.3237574172657545
Energy: 1.3455960880330728
Energy: 1.3253978305072867
Energy: 1.3914134482973368
Energy: 1.321092654259724
Energy: 1.3331040328644033
Energy: 1.3258440691417475
Energy: 1.319730168514091
Energy: 1.3185619612152077
Energy: 1.3414197509578287
Energy: 1.321092654256913
Energy: 1.3331040328627166
Energy: 1.325844069142872
Energy: 1.3197301685124045

minimum gb energy = 1.3170055123577753 eV
minimum distance =  2.30271703618048 Angstroms
sigma value = 75


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

Energy: 1.3785660886357405
Energy: 1.3570158051957584
Energy: 1.3704734586664613
Energy: 1.7175420626861688
Energy: 1.3376959546928646
Energy: 1.3261609260459069
Energy: 1.3785660886371123
Energy: 1.3570158051960326
Energy: 1.3704734586650895
Energy: 1.7175420626883633
Energy: 1.4175814931597934
Energy: 1.369026447979802
Energy: 1.3354748638537244
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Energy: 1.3239889710941262
Energy: 1.384015698761291
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Energy: 1.3597352774424607
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Energy: 1.348040645903475
Energy: 1.3241837627473587
Energy: 1.3317580567582996
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Energy: 1.3498619862940184
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Energy: 1.3305604102180055
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Energy: 1.3329660981599376
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Energy: 1.3339635604660032
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Energy: 1.332152505711081
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Energy: 1.3321525057121786
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Energy: 1.3937493794236175
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Energy: 1.2925393313180025
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Energy: 1.3252745689764056
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minimum gb energy = 1.292539331316082 eV
minimum distance =  2.28503081922336 Angstroms
sigma value = 105


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

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Energy: 1.3926898530731504
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Energy: 1.4057578343262662
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Energy: 1.3959000510069786
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Energy: 1.4176239054401056
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Energy: 1.3947715139744847
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Energy: 1.4433645997991087
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Energy: 1.4960034800997202
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Energy: 1.4508744484153637
Energy: 1.391914022652452
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Energy: 1.422220786431154
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Energy: 1.4127069518249642
Energy: 1.4222207864327012
Energy: 1.426425448233574
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Energy: 1.4127111313838856
Energy: 1.4105772928333333
Energy: 1.442506355194058
Energy: 1.412323617493026
Energy: 1.4128151752429448
Energy: 1.412704419187536
Energy: 1.4127111313829572
Energy: 1.4105772928358091
Energy: 1.420935459275583
Energy: 1.4115630757679773
Energy: 1.4182155599524844
Energy: 1.4356662944314904
Energy: 1.419646680018152
Energy: 1.421088516998353
Energy: 1.4209354592743448
Energy: 1.4115630757673587
Energy: 1.418215559950318
Energy: 1.4356662944305623
Energy: 1.4077289784761888
Energy: 1.4610067777367461
Energy: 1.410209982958038
Energy: 1.483128268379779
Energy: 1.6490208689244241
Energy: 1.398172014790095
Energy: 1.4077289784808311
Energy: 1.4610067777348892
Energy: 1.4102099829592476
Energy: 1.4831282683791598
Energy: 1.5427951024232114
Energy: 1.3910695994198343
Energy: 1.394593068757822
Energy: 1.5027965113276427
Energy: 1.465568399774091
Energy: 1.4070921668931748
Energy: 1.5427951024219735
Energy: 1.3910695994232387
Energy: 1.3945930687513508
Energy: 1.5027965113276427
Energy: 1.4178209357275977
Energy: 1.4307761728530393
Energy: 1.4196476565517568
Energy: 1.410794188055066
Energy: 1.4134545463279502
Energy: 1.4117527687141378
Energy: 1.4178209357275977
Energy: 1.4307761728542774
Energy: 1.4196476565517568
Energy: 1.4107941880523087
Energy: 1.408378000431964
Energy: 1.4376166432413062
Energy: 1.4222223312060325
Energy: 1.4311535834476108
Energy: 1.4134557364145905
Energy: 1.4619979699411205
Energy: 1.4083780004347497
Energy: 1.4376166432428537
Energy: 1.422222331202628
Energy: 1.4311535834503961
Energy: 1.3988871455753689
Energy: 1.5018468935156324
Energy: 1.4271846293261807
Energy: 1.414851686244419
Energy: 1.392390055949481
Energy: 1.4146117470802422
Energy: 1.3988871455762975
Energy: 1.5018468935137756
Energy: 1.4271846293311325
Energy: 1.4148516862431806

minimum gb energy = 1.3865657017575626 eV
minimum distance =  2.29465275761853 Angstroms
sigma value = 165


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

Energy: 1.478935917524921
Energy: 1.4936454029287551
Energy: 1.422730785188192
Energy: 1.924148589907431
Energy: 1.4227795816046238
Energy: 1.493637863892906
Energy: 1.4789359175238588
Energy: 1.4936454029287551
Energy: 1.4227307851892548
Energy: 1.924148589907431
Energy: 1.425883588276188
Energy: 1.4312661988829674
Energy: 1.4259894752972637
Energy: 1.455776071725345
Energy: 1.4518659634157447
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Energy: 1.4258835882751257
Energy: 1.4312661988861548
Energy: 1.4259894752983262
Energy: 1.455776071725345
Energy: 1.4554785252124882
Energy: 1.5014156254701623
Energy: 1.4632248880606413
Energy: 1.4355583802339213
Energy: 1.4310906920760786
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Energy: 1.432070360407462
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Energy: 1.4331403812083985
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Energy: 1.4570407638980496
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Energy: 1.4923497515682673
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Energy: 1.4564168083196214
Energy: 1.4448170471865742
Energy: 1.457040763899112
Energy: 1.4343721320404803
Energy: 1.4233368851376265
Energy: 1.4943497541592032
Energy: 1.4310522365693232
Energy: 1.4260112185581706
Energy: 1.4228539047250972
Energy: 1.434372132041543
Energy: 1.423336885136564
Energy: 1.494349754158141
Energy: 1.4310522365703857
Energy: 1.4241398785440162
Energy: 1.4566304642542935
Energy: 1.4746115992519901
Energy: 1.5019942333148975
Energy: 1.4311730826161837
Energy: 1.4311181029459359
Energy: 1.4241398785450787
Energy: 1.4566304642521686
Energy: 1.4746115992530526
Energy: 1.50199423331596
Energy: 1.4326450366225272
Energy: 1.4306691783960366
Energy: 1.4328451747427096
Energy: 1.4320906229643224
Energy: 1.4521534577790611
Energy: 1.4558285107183047
Energy: 1.4326450366225272
Energy: 1.4306691783992238
Energy: 1.4328451747437718
Energy: 1.4320906229664476
Energy: 1.4356008365364614
Energy: 1.4632248880648915
Energy: 1.501407079775899
Energy: 1.4553743146795632
Energy: 1.463109421019216
Energy: 1.4310481223606089
Energy: 1.4356008365375241
Energy: 1.4632248880638292
Energy: 1.501407079775899
Energy: 1.4553743146795632
Energy: 1.4557643435055025
Energy: 1.4260251484671123
Energy: 1.4313593753704734
Energy: 1.4258621377669989
Energy: 1.4333601728328345
Energy: 1.4519073996943752
Energy: 1.4557643435055025
Energy: 1.4260251484660498
Energy: 1.4313593753704734
Energy: 1.4258621377680614
Energy: 1.4599067710432005
Energy: 1.4227795816014364
Energy: 1.493637863892906
Energy: 1.478935917524921
Energy: 1.4936454029276927
Energy: 1.422730785188192
Energy: 1.4599067708955626
Energy: 1.4227795816035613
Energy: 1.4936378638918437
Energy: 1.4789359175259835

minimum gb energy = 1.4227088792038112 eV
minimum distance =  2.2910979842688 Angstroms
sigma value = 41


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

Energy: 1.1245918653940172
Energy: 1.0626025718787966
Energy: 1.0640953727009843
Energy: 1.7547063279163304
Energy: 1.0639302078418233
Energy: 1.0632133747274903
Energy: 1.124591865390307
Energy: 1.062602571865193
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Energy: 1.1277544375118222
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Energy: 1.0881386686278818
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Energy: 1.0653221433798166
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Energy: 1.1552588563392414
Energy: 1.063931539229418
Energy: 1.105117369102022
Energy: 1.129562333656487
Energy: 1.1436386442434725
Energy: 1.1093264208757163
Energy: 1.1552588563355313
Energy: 1.0639303445078843
Energy: 1.1051173691040834
Energy: 1.097881295999814
Energy: 1.097661758917725
Energy: 1.1555313112446546
Energy: 1.1281065115455344
Energy: 1.1020630420074458
Energy: 1.1553979316389742
Energy: 1.0978812959989896
Energy: 1.097661759226753
Energy: 1.155531311245479
Energy: 1.1281065116448459
Energy: 1.1551083567204965
Energy: 1.06453048297563
Energy: 1.1553154103226297
Energy: 1.1286053924488275
Energy: 1.0986791507401275
Energy: 1.08908358621047
Energy: 1.155108356719672
Energy: 1.064530482984287
Energy: 1.1553154103312868
Energy: 1.1286053481023162
Energy: 1.0636155915230692
Energy: 1.0627157113924885
Energy: 1.0578534256303278
Energy: 1.0650778108908143
Energy: 1.154642888771548
Energy: 1.063378680557445
Energy: 1.0636155928449271
Energy: 1.0627157113937251
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Energy: 1.0650946742587137
Energy: 1.1282197519511399
Energy: 1.064249156734987
Energy: 1.1546331796875857
Energy: 1.0976166131076226
Energy: 1.105260397898333
Energy: 1.1275332295731615
Energy: 1.1282197519527888
Energy: 1.064249156737873
Energy: 1.154633179683051
Energy: 1.097617115758706
Energy: 1.1554114867522278
Energy: 1.0998630978752946
Energy: 1.0989531911823154
Energy: 1.1554114867629457
Energy: 1.127208531948121
Energy: 1.1271657322545623
Energy: 1.1554114867559377
Energy: 1.0998630978719968
Energy: 1.0989531911781931
Energy: 1.1554114867538765
Energy: 1.0976249609230386
Energy: 1.1547284190365752
Energy: 1.0642663274130377
Energy: 1.128172892813822
Energy: 1.1276527653325026
Energy: 1.1052843303500715
Energy: 1.0976251479676933
Energy: 1.1547284190357507
Energy: 1.0642663274146866
Energy: 1.1281728873133012
Energy: 1.0645098288345511
Energy: 1.0578179682962914
Energy: 1.0627699747098704
Energy: 1.0636580730999359
Energy: 1.0633236586323258
Energy: 1.1546701372155155
Energy: 1.0645011753876892
Energy: 1.0578179682962914
Energy: 1.0627699747086339
Energy: 1.063658073098699
Energy: 1.1273414669561976
Energy: 1.1553154103255152
Energy: 1.0647619493928209
Energy: 1.1551108596750757
Energy: 1.0892252968065852
Energy: 1.09864571680646
Energy: 1.127367385025812
Energy: 1.155315410319744
Energy: 1.0647619493886986
Energy: 1.1551108596717774
Energy: 1.1282768574575524
Energy: 1.1555313112479524
Energy: 1.09781317688653
Energy: 1.097893897388543
Energy: 1.155397931640211
Energy: 1.103014995217961
Energy: 1.1282768583368923
Energy: 1.1555313112500136
Energy: 1.097813177629869
Energy: 1.0978938973840084
Energy: 1.1051467096053194
Energy: 1.0646025308030926
Energy: 1.155544823401049
Energy: 1.1092991537347976
Energy: 1.1435656252389284
Energy: 1.1276119263184072
Energy: 1.105146709601609
Energy: 1.064605401262351
Energy: 1.155544823396102
Energy: 1.109299153731912
Energy: 1.0986528398006052
Energy: 1.0653138886643534
Energy: 1.1054693475804582
Energy: 1.0636963802847719
Energy: 1.1211753652935716
Energy: 1.0979458661017027
Energy: 1.098652839798544
Energy: 1.0653564727805842
Energy: 1.1054693475783972
Energy: 1.0636963802925667
Energy: 1.134820494963405
Energy: 1.1287351885735093
Energy: 1.1551322125706969
Energy: 1.064892076520323
Energy: 1.0981961355090586
Energy: 1.088319678254522
Energy: 1.1348204949572216
Energy: 1.128735187697055
Energy: 1.1551322125702843
Energy: 1.064892076511666

minimum gb energy = 1.0578179682962914 eV
minimum distance =  2.31825521329964 Angstroms
sigma value = 185


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

Energy: 1.5537819357491272
Energy: 1.6123148013076682
Energy: 1.5561633184831212
Energy: 1.758004166114701
Energy: 1.5560513407559085
Energy: 1.592963470843349
Energy: 1.5537819357437443
Energy: 1.612314801310115
Energy: 1.5561633184806745
Energy: 1.7580041661098076
Energy: 1.6580897616970125
Energy: 1.5546421984963743
Energy: 1.6032441176946923
Energy: 1.6415575139357887
Energy: 1.5807038365777863
Energy: 1.484845825614628
Energy: 1.6580897616989698
Energy: 1.5546421984978425
Energy: 1.6032441176937133
Energy: 1.641557513930895
Energy: 1.491096530548677
Energy: 1.61742049530176
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Energy: 1.555809110414827
Energy: 1.6021172013183327
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Energy: 1.6174204953061642
Energy: 1.485654835292287
Energy: 1.555809110418742
Energy: 1.5682239194771899
Energy: 1.6003924172005417
Energy: 1.6012724066817094
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Energy: 1.603274812769682
Energy: 1.5496548410876905
Energy: 1.6034119810223855
Energy: 1.5702405600566594
Energy: 1.6363846866076894
Energy: 1.5700865406180853
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Energy: 1.5496548410862223
Energy: 1.6034119810233638
Energy: 1.5702405600512765
Energy: 1.6363846866076894
Energy: 1.5532802102395504
Energy: 1.5560451531226103
Energy: 1.5046073749126598
Energy: 1.5623359094036111
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Energy: 1.5564400383105426
Energy: 1.611319200300278
Energy: 1.691388144598108
Energy: 1.6003873476848773
Energy: 1.6032351488108105
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Energy: 1.6316873186581917
Energy: 1.5868119048530203
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Energy: 1.6032351488122787
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Energy: 1.6035104488536902
Energy: 1.5491755464296622
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Energy: 1.674320901062083
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Energy: 1.5665577251546903
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Energy: 1.5491755464286834
Energy: 1.6013993984876618
Energy: 1.674320901065019
Energy: 1.5583374467878692
Energy: 1.537463977128242
Energy: 1.617583046370525
Energy: 1.6062481172632068
Energy: 1.5393452385119617
Energy: 1.6022631185451608
Energy: 1.5583374467922733
Energy: 1.537463977127263
Energy: 1.6175830463729717
Energy: 1.6062481172651644
Energy: 1.5673327782086608
Energy: 1.6032538160925
Energy: 1.5596374041714547
Energy: 1.6913671175254525
Energy: 1.4897324479889964
Energy: 1.5807784829752245
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Energy: 1.6032538160885854
Energy: 1.559637404168074
Energy: 1.6913671175293672
Energy: 1.5319851144244567
Energy: 1.5562045929890527
Energy: 1.631415231009867
Energy: 1.6307580654386116
Energy: 1.5869586312749377
Energy: 1.5561633184831212
Energy: 1.5319851144205419
Energy: 1.5562045929880741
Energy: 1.631415231009867
Energy: 1.6307314822997905
Energy: 1.6415575139328527
Energy: 1.5807038365792543
Energy: 1.4897324479889964
Energy: 1.6911473914174084
Energy: 1.5546421984997998
Energy: 1.6032441176951815
Energy: 1.641557513933342
Energy: 1.58070383658268
Energy: 1.4897324479909537
Energy: 1.6911473914188764
Energy: 1.5547040132408168
Energy: 1.6021172013183327
Energy: 1.6293282220563712
Energy: 1.4910965305496557
Energy: 1.579236870150558
Energy: 1.5374639771292204
Energy: 1.55470401323837
Energy: 1.6021172013198006
Energy: 1.6293282220563712
Energy: 1.491096530544762
Energy: 1.60349463309583
Energy: 1.5686089349452594
Energy: 1.63184641057249
Energy: 1.5682239194757217
Energy: 1.601100329374597
Energy: 1.5887813321623918
Energy: 1.6034946330953403
Energy: 1.5686089349477064
Energy: 1.6318464105744472
Energy: 1.5682239194737642
Energy: 1.6363846866091576
Energy: 1.5700865406200428
Energy: 1.631469347788646
Energy: 1.549654841087201
Energy: 1.6034119810223855
Energy: 1.57024056005617
Energy: 1.6363846866062215
Energy: 1.5700865406195534
Energy: 1.6314693477910927
Energy: 1.5496548410857331
Energy: 1.5623359094041003
Energy: 1.5681482568943759
Energy: 1.5477086113843863
Energy: 1.5514452439441113
Energy: 1.5560451531226103
Energy: 1.495764515606251
Energy: 1.562335909402143
Energy: 1.568148256894865
Energy: 1.5477086113838971
Energy: 1.5514452439406856
Energy: 1.6274541102470832
Energy: 1.5783238553481118
Energy: 1.5544184180628433
Energy: 1.5613412412264613
Energy: 1.5570859001271657
Energy: 1.5562537692514946
Energy: 1.6274541102490405
Energy: 1.578323855353984
Energy: 1.5544184180667582
Energy: 1.5613412412254826
Energy: 1.5398628931123288
Energy: 1.6316873186596599
Energy: 1.5868119048481268
Energy: 1.6913881445961505
Energy: 1.6015138882362019
Energy: 1.6032049065974543
Energy: 1.5398628931079692
Energy: 1.6316873186586813
Energy: 1.5868119048520417
Energy: 1.6913881445941932
Energy: 1.6743209010659978
Energy: 1.6345449158310261
Energy: 1.5665577251561584
Energy: 1.6035104488541796
Energy: 1.5491755464286834
Energy: 1.601399398486683
Energy: 1.6743209010615938
Energy: 1.6345449158290688
Energy: 1.5665577251527327
Energy: 1.6035104488493306
Energy: 1.6377229358150516
Energy: 1.5393452385085806
Energy: 1.6020866384159516
Energy: 1.5583374467922733
Energy: 1.4856548352898402
Energy: 1.617583046373461
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Energy: 1.5393452385104935
Energy: 1.6020866384213344
Energy: 1.5583374467922733
Energy: 1.6417861460875154
Energy: 1.4848458256180534
Energy: 1.5991422636166248
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Energy: 1.5557420950821634
Energy: 1.6417861460870258
Energy: 1.4848458256175638
Energy: 1.5991422636205395
Energy: 1.5616159944243568
Energy: 1.5537819357481486
Energy: 1.6123148013076682
Energy: 1.5561633184855679
Energy: 1.5318696590329173
Energy: 1.5560513407588445
Energy: 1.5929634708453062
Energy: 1.553781935745702
Energy: 1.6123148013086468
Energy: 1.5561633184855679
Energy: 1.5318696590319385
Energy: 1.6580897616999486
Energy: 1.554642198495885
Energy: 1.6032441176951815
Energy: 1.6415575139352994
Energy: 1.5807038365807224
Energy: 1.4848458256136492
Energy: 1.6580897617004378
Energy: 1.554642198497353
Energy: 1.6032441176942027
Energy: 1.6415575139323633
Energy: 1.491096530550145
Energy: 1.6174204953051852
Energy: 1.485654835292287
Energy: 1.555809110416295
Energy: 1.6021172013212688
Energy: 1.60057358532714
Energy: 1.491096530548677
Energy: 1.6174204953076319
Energy: 1.4856548352917975
Energy: 1.5558091104167844
Energy: 1.568223919473275
Energy: 1.6003924172015203
Energy: 1.6012724066773052
Energy: 1.603274812769682
Energy: 1.5686089349413446
Energy: 1.631846410571022
Energy: 1.5682239194752323
Energy: 1.600392417207882
Energy: 1.6012724066773052
Energy: 1.603274812768703
Energy: 1.5496548410901372
Energy: 1.603411981017492
Energy: 1.57024056005617
Energy: 1.6363846866086682
Energy: 1.5700865406175961
Energy: 1.6314693477861992
Energy: 1.5496548410857331
Energy: 1.6034119810233638
Energy: 1.5702405600527447
Energy: 1.6363846866101361
Energy: 1.5532802102390613
Energy: 1.5560451531211423
Energy: 1.504607374911192
Energy: 1.5623359094045897
Energy: 1.5992233459467144
Energy: 1.5477086113824292
Energy: 1.5532802102385717
Energy: 1.5560451531226103
Energy: 1.504607374911681
Energy: 1.5623359094016536
Energy: 1.5614788631988015
Energy: 1.5983408453121872
Energy: 1.5564400383149468
Energy: 1.615483346015449
Energy: 1.578323855351048
Energy: 1.5544184180633327
Energy: 1.5614788631992909
Energy: 1.598340845310719
Energy: 1.5564400383129893
Energy: 1.6154833460169171
Energy: 1.6913881445937038
Energy: 1.6003873476834092
Energy: 1.6032351488083638
Energy: 1.5398628931089478
Energy: 1.6316873186581917
Energy: 1.5868119048525309
Energy: 1.6913881445956613
Energy: 1.600387347681941
Energy: 1.6032351488113
Energy: 1.5398628931152647
Energy: 1.6035104488507987
Energy: 1.549175546428194
Energy: 1.601399398488151
Energy: 1.6743209010576792
Energy: 1.634544915830537
Energy: 1.566557725155669
Energy: 1.6035104488517773
Energy: 1.5491755464262367
Energy: 1.6013993984832575
Energy: 1.674320901062083
Energy: 1.5583374467883586
Energy: 1.537463977130199
Energy: 1.617583046373906
Energy: 1.6062481172603151
Energy: 1.539345238512451
Energy: 1.6022631185417353
Energy: 1.5583374467942306
Energy: 1.537463977128731
Energy: 1.6175830463748848
Energy: 1.6062481172617833
Energy: 1.5673327782091502
Energy: 1.6032538160905427
Energy: 1.559637404169542
Energy: 1.6913671175283886
Energy: 1.4897324479904646
Energy: 1.5807784829737563
Energy: 1.5673327782140434
Energy: 1.6032538160895642
Energy: 1.5596374041690526
Energy: 1.6913671175293672

minimum gb energy = 1.4848458256136492 eV
minimum distance =  2.23863516910089 Angstroms
sigma value = 33


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

Energy: 1.4320809941542763
Energy: 1.5384566207599881
Energy: 1.4107921556586052
Energy: 1.785840022360735
Energy: 1.411364839502251
Energy: 1.546374757162458
Energy: 1.4320809941532016
Energy: 1.538456620763993
Energy: 1.4107921556596796
Energy: 1.7858400223553625
Energy: 1.6496000340566446
Energy: 1.414594232647552
Energy: 1.4119147253930882
Energy: 1.4245309567086721
Energy: 1.424505620786424
Energy: 1.4341205256184906
Energy: 1.6496000340593309
Energy: 1.4145942326437908
Energy: 1.411914725390402
Energy: 1.4245309567073288
Energy: 1.5246763709727864
Energy: 1.4169969950903922
Energy: 1.4217519638258997
Energy: 1.6513570363446926
Energy: 1.4241041913735641
Energy: 1.4230606200278515
Energy: 1.5246763709695628
Energy: 1.4169969950941532
Energy: 1.421751963825631
Energy: 1.6513570363508714
Energy: 1.444870827179009
Energy: 1.4170743608077159
Energy: 1.4148157956716905
Energy: 1.4127543190241456
Energy: 1.4255623638664334
Energy: 1.639407918235345
Energy: 1.4448708271851876
Energy: 1.4170743608130887
Energy: 1.4148157956679297
Energy: 1.412754319023071
Energy: 1.4211882929909623
Energy: 1.4169991157997843
Energy: 1.4275129702665528
Energy: 1.6384210955062712
Energy: 1.4490743536926862
Energy: 1.414199992771834
Energy: 1.421188292991768
Energy: 1.4169991157952175
Energy: 1.4275129702638665
Energy: 1.6384210955068084
Energy: 1.6215879876237405
Energy: 1.417107705208443
Energy: 1.4783544655489862
Energy: 1.419246773747874
Energy: 1.4239369293433057
Energy: 1.6167978437182529
Energy: 1.6215879876229344
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Energy: 1.4192467737481427
Energy: 1.4114098435905302
Energy: 1.4166445721381666
Energy: 1.6574569355671427
Energy: 1.4482753233529915
Energy: 1.4246932653515683
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Energy: 1.4114098435969775
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Energy: 1.5559972149042827
Energy: 1.4317610958524265
Energy: 1.4381211704759644
Energy: 1.411338946134626
Energy: 1.4878064736505598
Energy: 1.4108569428237456
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Energy: 1.431761095848934
Energy: 1.4381211704767702
Energy: 1.4242680900947082
Energy: 1.4220114941891
Energy: 1.6614062321483647
Energy: 1.4345990450239081
Energy: 1.4118810039010579
Energy: 1.424873694185671
Energy: 1.4242680900915092
Energy: 1.4220114941901745
Energy: 1.6614062321513197
Energy: 1.4345990450209531
Energy: 1.4241146891487715
Energy: 1.415710764404604
Energy: 1.5247120125928977
Energy: 1.4170193602864511
Energy: 1.4448987106223996
Energy: 1.6396301136911122
Energy: 1.4241146891431302
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Energy: 1.5247120125891367
Energy: 1.4170193602826904
Energy: 1.487822763690551
Energy: 1.4144576647744536
Energy: 1.6222283078192778
Energy: 1.417116091099907
Energy: 1.4150694070690422
Energy: 1.4117773995349896
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Energy: 1.414457664775797
Energy: 1.6222283078200839
Energy: 1.4171160910985636
Energy: 1.4491794079773166
Energy: 1.414556910657802
Energy: 1.4211109855942003
Energy: 1.4171527507766382
Energy: 1.470898061260607
Energy: 1.6375576911326208
Energy: 1.4491794079794658
Energy: 1.4145569106594136
Energy: 1.4211109855974242
Energy: 1.4171527507763697
Energy: 1.4240110315700165
Energy: 1.4186627803151517
Energy: 1.6217217283856258
Energy: 1.4170885122387231
Energy: 1.4646169260340747
Energy: 1.4193432492092573
Energy: 1.4240110315646435
Energy: 1.4186627803202558
Energy: 1.6217217283850887
Energy: 1.4170885122389918
Energy: 1.4241999433998673
Energy: 1.4220673350024806
Energy: 1.4111317864524173
Energy: 1.4860478222417746
Energy: 1.6760667663652071
Energy: 1.4410091519423696
Energy: 1.4241999434052401
Energy: 1.4220673350008686
Energy: 1.4111317864499997
Energy: 1.4860478222382822
Energy: 1.4112695243324482
Energy: 1.4036687375611605
Energy: 1.4096941936874932
Energy: 1.564627947433199
Energy: 1.420340332531942
Energy: 1.4170554696244915
Energy: 1.4112695243375277
Energy: 1.4036687375595487
Energy: 1.4096941936917913
Energy: 1.5646279474372282
Energy: 1.4116397346969098
Energy: 1.4251552672514585
Energy: 1.4243100406004174
Energy: 1.421516608698445
Energy: 1.4189265120779992
Energy: 1.4300856565941502
Energy: 1.4116397346920744
Energy: 1.4251552672460854
Energy: 1.424310040603641
Energy: 1.421516608697639
Energy: 1.4229726169807035
Energy: 1.639130903880917
Energy: 1.4240332045415907
Energy: 1.4175025301285578
Energy: 1.3996189620092039
Energy: 1.4170437620874063
Energy: 1.4229726169777486
Energy: 1.6391309038811857
Energy: 1.424033204545889
Energy: 1.4175025301239912
Energy: 1.4278981635657808
Energy: 1.4294921655515285
Energy: 1.4881179734374457
Energy: 1.4152007659773675
Energy: 1.6232122822238537
Energy: 1.4170548569880341
Energy: 1.4278981635636319
Energy: 1.4294921655499164
Energy: 1.488117973439326
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Energy: 1.4178048203816314
Energy: 1.4195657129124097
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Energy: 1.403405206056332
Energy: 1.6464948828560715
Energy: 1.3985008892308646
Energy: 1.4330149593018975
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Energy: 1.5657647866680864
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Energy: 1.411173685408233
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Energy: 1.6766080381537949
Energy: 1.5657647866653999
Energy: 1.4109829937970328
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Energy: 1.4268316079512395
Energy: 1.422089685722197
Energy: 1.4054610049035694
Energy: 1.4187012937000758
Energy: 1.4109829938002565
Energy: 1.4412610306787736
Energy: 1.4268316079544632
Energy: 1.4220896857238086
Energy: 1.4451353874110604
Energy: 1.4144855093447148
Energy: 1.3974720630257302
Energy: 1.4225196687451351
Energy: 1.4104442067036556
Energy: 1.4175910103224727
Energy: 1.445135387416433
Energy: 1.4144855093471325
Energy: 1.3974720630273423
Energy: 1.4225196687432546
Energy: 1.4498070951098536
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Energy: 1.4145669954578288
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Energy: 1.6477834239611178
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Energy: 1.4498070951047495
Energy: 1.415166955153056
Energy: 1.4145669954551428
Energy: 1.4152289122059596

minimum gb energy = 1.3974720630257302 eV
minimum distance =  2.27049256660236 Angstroms
sigma value = 219


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

Energy: 1.120462802229241
Energy: 1.1780903212820615
Energy: 1.1761792332011318
Energy: 2.0260832232512183
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Energy: 1.3446701039672708
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Energy: 1.176809444975722
Energy: 1.1779151739837097
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Energy: 1.0744767855173332
Energy: 1.1776213522438517
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Energy: 1.1764944251828058
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Energy: 1.153344007643216
Energy: 1.1768487990436376
Energy: 1.1779182756040736
Energy: 1.0765221269391194
Energy: 1.2351838885437911
Energy: 1.0724556130719023
Energy: 1.1533440076435595
Energy: 1.1768487990438192
Energy: 1.1779182756026592
Energy: 1.1768580921922203
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Energy: 1.3446701039654927
Energy: 1.2215613176854387
Energy: 1.1780280445865974
Energy: 1.1768580921920384
Energy: 1.1787932889024668
Energy: 1.176228783693687
Energy: 1.3446701039654927

minimum gb energy = 1.0724556130711749 eV
minimum distance =  2.3100006193311 Angstroms
sigma value = 15


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

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Energy: 1.6260360679754349
Energy: 1.613494530603416
Energy: 2.0633861646665475
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Energy: 1.626040955782051
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Energy: 1.6924899944184733
Energy: 1.5875263290668762
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Energy: 1.6924899944234213
Energy: 1.5875263290609745
Energy: 1.7405452080165795
Energy: 1.6126596071772015
Energy: 1.749257095251236
Energy: 1.587835257907673
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minimum gb energy = 1.585790013203354 eV
minimum distance =  2.26419245501432 Angstroms
sigma value = 293


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

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Energy: 1.7050101430273286
Energy: 1.6168423203689375
Energy: 1.6101518406811113
Energy: 1.6775674529096827
Energy: 1.5276480050760308
Energy: 1.689295242287692
Energy: 1.7050101430261235
Energy: 1.6168423203685363
Energy: 1.696511541900241
Energy: 1.6457483079083828
Energy: 1.6468590426058327
Energy: 1.6257821137797994
Energy: 1.6466199274621134
Energy: 1.6457181209411402
Energy: 1.6965115419018475
Energy: 1.6457483079095874
Energy: 1.6468590426070375
Energy: 1.6257821137781931
Energy: 1.5276556485210804
Energy: 1.6777125151098327
Energy: 1.6101569516762628
Energy: 1.6168116363918303
Energy: 1.7050314762925458
Energy: 1.689291927138687
Energy: 1.5276556485210804
Energy: 1.6777125151090295
Energy: 1.610156951677066
Energy: 1.616811636390626
Energy: 1.7765553768914555
Energy: 1.5278928779853846
Energy: 1.7053938346179365
Energy: 1.6608466793505816
Energy: 1.6273385428444977
Energy: 1.564381912709216
Energy: 1.7765553768926603
Energy: 1.5278928779865892
Energy: 1.7053938346179365
Energy: 1.66084667935018
Energy: 1.6690517915349496
Energy: 1.5278743187991408
Energy: 1.5784251202216162
Energy: 1.6485808281910284
Energy: 1.6526651172851088
Energy: 1.6624634131400697
Energy: 1.6690517915333432
Energy: 1.5278743187991408
Energy: 1.5784251202220176
Energy: 1.648580828190627
Energy: 1.5969853862730023
Energy: 1.8059780344266245
Energy: 1.680726329446137
Energy: 1.54455994495883
Energy: 1.6564130882319175
Energy: 1.5931896484195331
Energy: 1.596985386272601
Energy: 1.8059780344278293
Energy: 1.680726329445735
Energy: 1.5445599449568221
Energy: 1.619456080707605
Energy: 1.5958114792650906
Energy: 1.5623871874303639
Energy: 1.7025669940810728
Energy: 1.6350014562546817
Energy: 1.6436836546399884
Energy: 1.6194560807068017
Energy: 1.5958114792654918
Energy: 1.5623871874287576
Energy: 1.7025669940806714
Energy: 1.5887218184087732
Energy: 1.6022948993546062
Energy: 1.5656568181035104
Energy: 1.6498901883501365
Energy: 1.5118188499078389
Energy: 1.7278891589476308
Energy: 1.5887218184079699
Energy: 1.602294899353803
Energy: 1.5656568181047152
Energy: 1.6498901883505384
Energy: 1.6288317161586015
Energy: 1.7204607171023558
Energy: 1.7204597728733884
Energy: 1.6287926683121616
Energy: 1.6021236664753324
Energy: 1.6020962523783706
Energy: 1.628831716160208
Energy: 1.7204607170999462
Energy: 1.7204597728729867
Energy: 1.6287926683129648
Energy: 1.6498888175434927
Energy: 1.5657136454909837
Energy: 1.6022619285984312
Energy: 1.588787751766205
Energy: 1.727988868535675
Energy: 1.511824881127526
Energy: 1.649888817541083
Energy: 1.5657136454897786
Energy: 1.6022619285968247
Energy: 1.5887877517666065
Energy: 1.7024991155351437
Energy: 1.5624731059518242
Energy: 1.5958069108183814
Energy: 1.619451896892159
Energy: 1.643573415207585
Energy: 1.6351365095227675
Energy: 1.7024991155347424
Energy: 1.5624731059526273
Energy: 1.5958069108195863
Energy: 1.619451896892159
Energy: 1.5445036333472892
Energy: 1.6806983285217394
Energy: 1.8059780344330498
Energy: 1.5969820465636282
Energy: 1.5931844861476876
Energy: 1.6564130882287047
Energy: 1.5445036333496989
Energy: 1.6806983285213377
Energy: 1.8059780344342549
Energy: 1.5969820465612188
Energy: 1.6485708377063568
Energy: 1.5783892170213396
Energy: 1.527875882570868
Energy: 1.6691036156459353
Energy: 1.6624257095665962
Energy: 1.6526826506247105
Energy: 1.6485708377055537
Energy: 1.578389217022143
Energy: 1.52787588256886
Energy: 1.6691036156475416

minimum gb energy = 1.5118188499058312 eV
minimum distance =  2.26529160914471 Angstroms
sigma value = 293


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

Energy: 1.1086253633805874
Energy: 1.2527176871695969
Energy: 1.2526170821171188
Energy: 2.2851066190459814
Energy: 1.2526188937342737
Energy: 1.2526581491961843
Energy: 1.108625363381313
Energy: 1.2527176871703227
Energy: 1.2526170821178444
Energy: 2.2851066190452554
Energy: 1.2526753837573639
Energy: 1.9412060615882643
Energy: 1.2527406109558354
Energy: 1.6239982947666227
Energy: 1.7679029972868947
Energy: 1.250427756448876
Energy: 1.2526753837573639
Energy: 1.9412060615875388
Energy: 1.2527406109558354
Energy: 1.6239982947673486
Energy: 1.2754825823621152
Energy: 1.1085832407650025
Energy: 1.832522369168693
Energy: 1.1080864281757246
Energy: 1.2850960395196396
Energy: 1.2500494584491164
Energy: 1.2754825823599376
Energy: 1.1085832407657283
Energy: 1.8325223691665153
Energy: 1.1080864281706437
Energy: 1.83346993724774
Energy: 1.1086248185043825
Energy: 1.2754222806076567
Energy: 1.2500498250773524
Energy: 1.285094758257892
Energy: 1.1080677783956454
Energy: 1.8334699372491918
Energy: 1.108624818505834
Energy: 1.2754222806054791
Energy: 1.2500498250766265
Energy: 1.2527342421632204
Energy: 1.8534890042189074
Energy: 1.252693792001472
Energy: 1.2504072761822003
Energy: 1.767943658434636
Energy: 1.7826504746985756
Energy: 1.252734242164672
Energy: 1.8534890042196335
Energy: 1.252693792001472
Energy: 1.2504072761800225
Energy: 1.2526188937342737
Energy: 1.2526581491990878
Energy: 1.1086253633820387
Energy: 1.2527176871688712
Energy: 1.2526170821171188
Energy: 1.5855970886560984
Energy: 1.2526188937342737
Energy: 1.2526581492005395
Energy: 1.1086253633805874
Energy: 1.2527176871703227
Energy: 1.767902997285443
Energy: 1.250427756448876
Energy: 1.2526753837573639
Energy: 1.9412060615882643
Energy: 1.2527406109565615
Energy: 1.6239982947666227
Energy: 1.7679029972861686
Energy: 1.2504277564496016
Energy: 1.252675383756638
Energy: 1.9412060615882643
Energy: 1.2850960395203652
Energy: 1.2500494584476647
Energy: 1.2754825823613893
Energy: 1.1085832407650025
Energy: 1.8325223691672414
Energy: 1.1080864281829825
Energy: 1.2850960395203652
Energy: 1.2500494584491164
Energy: 1.2754825823621152
Energy: 1.1085832407650025
Energy: 1.2850947582600694
Energy: 1.108067778392016
Energy: 1.83346993724774
Energy: 1.1086248185043825
Energy: 1.275422280606205
Energy: 1.2500498250773524
Energy: 1.2850947582607952
Energy: 1.1080677783912904
Energy: 1.8334699372491918
Energy: 1.1086248185051084
Energy: 1.767943658434636
Energy: 1.592800510379801
Energy: 1.2527342421624947
Energy: 1.7362759214549597
Energy: 1.252693792001472
Energy: 1.2504072761800225
Energy: 1.7679436584339099
Energy: 1.5928005103776237
Energy: 1.252734242164672
Energy: 1.736275921454234
Energy: 1.2526170821178444
Energy: 1.6869774310839918
Energy: 1.2526188937342737
Energy: 1.252658149198362
Energy: 1.1086253633827647
Energy: 1.2527176871703227
Energy: 1.2526170821171188
Energy: 1.6869774310839918
Energy: 1.2526188937342737
Energy: 1.2526581491969102
Energy: 1.2527406109558354
Energy: 1.6239982947666227
Energy: 1.7679029972861686
Energy: 1.2504277564474242
Energy: 1.2526753837580897
Energy: 1.9412060615882643
Energy: 1.2527406109565615
Energy: 1.6239982947666227
Energy: 1.7679029972868947
Energy: 1.2504277564503277
Energy: 1.8325223691657897
Energy: 1.1080864281749985
Energy: 1.2850960395232687
Energy: 1.2500494584476647
Energy: 1.2754825823606635
Energy: 1.1085832407671798
Energy: 1.832522369167967
Energy: 1.1080864281793537
Energy: 1.2850960395203652
Energy: 1.2500494584491164
Energy: 1.2754222806069309
Energy: 1.2500498250773524
Energy: 1.285094758262247
Energy: 1.1080677783941937
Energy: 1.833469937248466
Energy: 1.1086248185051084
Energy: 1.2754222806054791
Energy: 1.2500498250773524
Energy: 1.2850947582586179
Energy: 1.1080677783956454
Energy: 1.2526937920007466
Energy: 1.2504072761800225
Energy: 1.7679436584339099
Energy: 1.4525795614545505
Energy: 1.2527342421624947
Energy: 1.6311540878583906
Energy: 1.252693792001472
Energy: 1.2504072761800225
Energy: 1.7679436584331842
Energy: 1.4525795614545505
Energy: 1.108625363381313
Energy: 1.2527176871688712
Energy: 1.2526170821185705
Energy: 1.7068092855681676
Energy: 1.2526188937342737
Energy: 1.2526581491961843
Energy: 1.1086253633805874
Energy: 1.2527176871695969
Energy: 1.2526170821171188
Energy: 1.706809285566716
Energy: 1.252675383756638
Energy: 1.9412060615875388
Energy: 1.2527406109565615
Energy: 1.6239982947666227
Energy: 1.767902997285443
Energy: 1.25042775644815
Energy: 1.2526753837580897
Energy: 1.9412060615882643
Energy: 1.2527406109565615
Energy: 1.6239982947658969
Energy: 1.2754825823649851
Energy: 1.1085832407657283
Energy: 1.8325223691657897
Energy: 1.1080864281786278
Energy: 1.285096039521817
Energy: 1.2500494584476647
Energy: 1.2754825823606635
Energy: 1.1085832407657283
Energy: 1.832522369168693
Energy: 1.1080864281749985
Energy: 1.833469937248466
Energy: 1.1086248185051084
Energy: 1.2754222806033018
Energy: 1.2500498250773524
Energy: 1.2850947582607952
Energy: 1.1080677783912904
Energy: 1.833469937248466
Energy: 1.108624818505834
Energy: 1.275422280606205
Energy: 1.2500498250773524
Energy: 1.252734242164672
Energy: 1.6311540878605681
Energy: 1.252693792001472
Energy: 1.250407276177845
Energy: 1.7679436584339099
Energy: 1.4525795614538248
Energy: 1.2527342421624947
Energy: 1.6311540878583906
Energy: 1.252693792001472
Energy: 1.2504072761800225
Energy: 1.2526188937342737
Energy: 1.2526581491998134
Energy: 1.108625363381313
Energy: 1.2527176871681451
Energy: 1.2526170821178444
Energy: 1.7068092855652648
Energy: 1.252618893733548
Energy: 1.2526581491998134
Energy: 1.1086253633820387
Energy: 1.2527176871695969
Energy: 1.7679029972861686
Energy: 1.2504277564474242
Energy: 1.2526753837573639
Energy: 1.9412060615882643
Energy: 1.2527406109558354
Energy: 1.6239982947666227
Energy: 1.767902997285443
Energy: 1.2504277564496016
Energy: 1.2526753837580897
Energy: 1.9412060615889903

minimum gb energy = 1.1080677783912904 eV
minimum distance =  2.35196880920709 Angstroms
sigma value = 15


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

Energy: 1.429143935138016
Energy: 1.2198668520197853
Energy: 1.4153198198320163
Energy: 2.041498312273145
Energy: 1.4155890705759087
Energy: 1.2198756335193675
Energy: 1.429143935139332
Energy: 1.2198668520217593
Energy: 1.4153198198330033
Energy: 2.041498312272487
Energy: 1.3776525431231197
Energy: 1.4537210855571543
Energy: 1.4169435657423244
Energy: 1.3989302544282762
Energy: 1.4234697884385352
Energy: 1.3559456577901985
Energy: 1.3776525431241067
Energy: 1.4537210855594573
Energy: 1.4169435657413374
Energy: 1.3989302544302502
Energy: 1.5198986574940012
Energy: 1.3089978265953854
Energy: 1.349099796496309
Energy: 1.4321479794906522
Energy: 1.2604257662434122
Energy: 1.4814455151617425
Energy: 1.5198986574943303
Energy: 1.3089978265947273
Energy: 1.3490997964976248
Energy: 1.432147979492297
Energy: 1.5626731091311432
Energy: 1.3084753321028246
Energy: 1.4073249995073434
Energy: 1.2425204995098575
Energy: 1.4978390705649152
Energy: 1.3557664261649525
Energy: 1.5626731091321304
Energy: 1.3084753321011797
Energy: 1.4073249995063564
Energy: 1.2425204995095285
Energy: 1.1859575107121987
Energy: 1.6009618731643067
Energy: 1.3397060000478866
Energy: 1.3047688486106674
Energy: 1.368349060453243
Energy: 1.2618366524092093
Energy: 1.1859575107095666
Energy: 1.60096187316332
Energy: 1.3397060000492025
Energy: 1.3047688486113256
Energy: 1.1859457424706266
Energy: 1.5565631218639988
Energy: 1.3879288902001505
Energy: 1.24126248236841
Energy: 1.3745723200664512
Energy: 1.2647168353267675
Energy: 1.1859457424712843
Energy: 1.5565631218610376
Energy: 1.3879288901991633
Energy: 1.2412624823697262
Energy: 1.444918020787255
Energy: 1.1947571251130498
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Energy: 1.4419507087346475
Energy: 1.282439816683227
Energy: 1.4320945144459252
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Energy: 1.194757125116669
Energy: 1.243856763778593
Energy: 1.4419507087336607
Energy: 1.2439213290275928
Energy: 1.2959750870205602
Energy: 1.4184870018604654
Energy: 1.3916655836763594
Energy: 1.5479343032536068
Energy: 1.4333331755590153
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Energy: 1.2959750870212183
Energy: 1.4184870018611235
Energy: 1.3916655836789915
Energy: 1.2410526227106369
Energy: 1.3967147644105091
Energy: 1.5065450644704803
Energy: 1.4174983555018403
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Energy: 1.2410526227106369
Energy: 1.3967147644124833
Energy: 1.5065450644691645
Energy: 1.4174983555038143
Energy: 1.3901728653927437
Energy: 1.459483458970853
Energy: 1.2961941617840476
Energy: 1.57054738337977
Energy: 1.4169995445530026
Energy: 1.4524523195751444
Energy: 1.3901728653914276
Energy: 1.4594834589705241
Energy: 1.2961941617837185
Energy: 1.570547383378783
Energy: 1.3751772671691889
Energy: 1.4638893612577457
Energy: 1.195210964603395
Energy: 1.4937997984652318
Energy: 1.2237816326009285
Energy: 1.4547316892210767
Energy: 1.375177267166557
Energy: 1.4638893612580746
Energy: 1.19521096460504
Energy: 1.4937997984655609
Energy: 1.3759908442139006
Energy: 1.3890006287675472
Energy: 1.421793763097954
Energy: 1.3213220927970342
Energy: 1.4198641383062458
Energy: 1.3757391770493246
Energy: 1.375990844215217
Energy: 1.3890006287675472
Energy: 1.4217937630989412
Energy: 1.3213220927983502
Energy: 1.285026922859425
Energy: 1.2007073484218285
Energy: 1.5793119107111722
Energy: 1.1873572567986024
Energy: 1.3573210704911687
Energy: 1.3566103170237545
Energy: 1.2850269228617281
Energy: 1.2007073484224866
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Energy: 1.1873572567986024
Energy: 1.2414919305959802
Energy: 1.5213815182275903
Energy: 1.3083022497969434
Energy: 1.4272985799408093
Energy: 1.4252530671218702
Energy: 1.260715020337944
Energy: 1.2414919305953223
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Energy: 1.3083022497962855
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Energy: 1.4340722844228075
Energy: 1.5830549224970547
Energy: 1.1686844389529314
Energy: 1.3591878325065623
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Energy: 1.5215439977797
Energy: 1.4340722844224785
Energy: 1.5830549224960675
Energy: 1.1686844389549056
Energy: 1.3591878325055755
Energy: 1.260776832601616
Energy: 1.4337243835277473
Energy: 1.5491038154803554
Energy: 1.46183319914771
Energy: 1.2225592955968094
Energy: 1.4221221930462686
Energy: 1.2607768326012867
Energy: 1.4337243835293925
Energy: 1.5491038154823298
Energy: 1.4618331991500133
Energy: 1.402770241695641
Energy: 1.4114949037388416
Energy: 1.2833154230845363
Energy: 1.2851958283234353
Energy: 1.560466621096209
Energy: 1.4340657336703087
Energy: 1.4027702416943246
Energy: 1.4114949037391706
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Energy: 1.2851958283237643
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Energy: 1.409488635788995
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Energy: 1.412305250295274
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Energy: 1.2621990755954362
Energy: 1.2605706459354102
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Energy: 1.5793047459653884
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Energy: 1.4958860855600422
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Energy: 1.59182585763097
Energy: 1.4548600288506677
Energy: 1.356515848884135
Energy: 1.4226800525908323
Energy: 1.3205442462851558
Energy: 1.4808303449255256
Energy: 1.2431750786015547
Energy: 1.4548600288483646
Energy: 1.3565158488821607
Energy: 1.4226800525908323
Energy: 1.3205442462868007
Energy: 1.2423054344366335
Energy: 1.4168379330135539
Energy: 1.5353779261042415
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Energy: 1.5265264909493144
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Energy: 1.4168379330145409
Energy: 1.5353779261025964
Energy: 1.1866451761581132
Energy: 1.4391829664702434
Energy: 1.375535927614259
Energy: 1.434018702508798
Energy: 1.4480658882768718
Energy: 1.3956098994681725
Energy: 1.3400505217254577
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Energy: 1.375535927614588
Energy: 1.434018702510114
Energy: 1.4480658882772008
Energy: 1.4176777242985952
Energy: 1.4201587900172639
Energy: 1.2231134684801734
Energy: 1.227266328671125
Energy: 1.2963429914915443
Energy: 1.4890532818695752
Energy: 1.4176777242999112
Energy: 1.4201587900192378
Energy: 1.2231134684788572
Energy: 1.227266328669809
Energy: 1.4177841627294232
Energy: 1.282459259636242
Energy: 1.2828004049035782
Energy: 1.4250474195107856
Energy: 1.1946882236856353
Energy: 1.4352313735267777
Energy: 1.4177841627300811
Energy: 1.2824592596365711
Energy: 1.2828004049055521
Energy: 1.4250474195107856
Energy: 1.4149647714876292
Energy: 1.3747733100657387
Energy: 1.4536927942294728
Energy: 1.3903197692438798
Energy: 1.5479392712163285
Energy: 1.2954288586368377
Energy: 1.4149647714892744
Energy: 1.3747733100663968
Energy: 1.4536927942291438
Energy: 1.390319769245525
Energy: 1.3236654755614687
Energy: 1.2641529006358991
Energy: 1.4721086185594487
Energy: 1.240878411982428
Energy: 1.5633164654431604
Energy: 1.2956678302564333
Energy: 1.3236654755614687
Energy: 1.264152900636228
Energy: 1.4721086185594487
Energy: 1.2408784119801248
Energy: 1.2241224861124387
Energy: 1.2834254214611032
Energy: 1.3758541295988316
Energy: 1.2829953908395353
Energy: 1.2001593011764657
Energy: 1.4585198170371398
Energy: 1.2241224861124387
Energy: 1.2834254214614322
Energy: 1.3758541295981739
Energy: 1.2829953908398641
Energy: 1.4114004730484737
Energy: 1.3583965083186413
Energy: 1.4320866082582362
Energy: 1.4090682614510772
Energy: 1.1999650696407214
Energy: 1.5200482164828915
Energy: 1.4114004730497898
Energy: 1.3583965083192995
Energy: 1.4320866082582362
Energy: 1.4090682614507481
Energy: 1.2240915923055162
Energy: 1.5851521402795887
Energy: 1.2608803687456636
Energy: 1.2411363753368074
Energy: 1.5991591532976854
Energy: 1.3709959478977825
Energy: 1.2240915923055162
Energy: 1.5851521402789308
Energy: 1.2608803687473085
Energy: 1.2411363753371365
Energy: 1.216893184331483
Energy: 1.3997800724026959
Energy: 1.4031421044843357
Energy: 1.2408445962800576
Energy: 1.340051039826609
Energy: 1.3850020163448775
Energy: 1.2168931843291797
Energy: 1.399780072403354
Energy: 1.4031421044813748
Energy: 1.240844596281374
Energy: 1.4408998865244191
Energy: 1.4016578748863127
Energy: 1.3990127094586093
Energy: 1.2609000307006848
Energy: 1.2613055225350538
Energy: 1.3796888013070168
Energy: 1.4408998865244191
Energy: 1.4016578748843385
Energy: 1.3990127094579514
Energy: 1.2609000306983815
Energy: 1.1828315226773265
Energy: 1.4986218976726986
Energy: 1.4320984994925832
Energy: 1.47443258647772
Energy: 1.4745533103512918
Energy: 1.4511195240601078
Energy: 1.1828315226776556
Energy: 1.4986218976717116
Energy: 1.4320984994925832
Energy: 1.4744325864773908
Energy: 1.1826766001740676
Energy: 1.5625274053623968
Energy: 1.4105198812115447
Energy: 1.4751725852590187
Energy: 1.3558011964080916
Energy: 1.4909199656166303
Energy: 1.1826766001753835
Energy: 1.5625274053623968
Energy: 1.4105198812079256
Energy: 1.4751725852573736
Energy: 1.4405470935756266
Energy: 1.2060182281121095
Energy: 1.4443407398629373
Energy: 1.261275140076002
Energy: 1.3968061619036065
Energy: 1.3999369996386093
Energy: 1.4405470935759555
Energy: 1.2060182281104643
Energy: 1.4443407398635952
Energy: 1.2612751400740279
Energy: 1.5409067811541073
Energy: 1.1686634559765916
Energy: 1.3399356986309494
Energy: 1.2415621989452492
Energy: 1.4676609028010559
Energy: 1.4011429112218607
Energy: 1.5409067811508173
Energy: 1.1686634559756046
Energy: 1.3399356986312785
Energy: 1.2415621989452492
Energy: 1.3248624130355586
Energy: 1.3719151151113125
Energy: 1.6004098611104745
Energy: 1.454355721795747
Energy: 1.2612168733368823
Energy: 1.586917784191952
Energy: 1.3248624130352296
Energy: 1.3719151151116415
Energy: 1.6004098611108033
Energy: 1.4543557217980498
Energy: 1.1870562614062004
Energy: 1.416484780519616
Energy: 1.388871849990117
Energy: 1.5562942382940652
Energy: 1.4332956730809785
Energy: 1.5702806685191875
Energy: 1.1870562614062004
Energy: 1.416484780518958
Energy: 1.388871849990775
Energy: 1.5562942382943943
Energy: 1.3934141369086177
Energy: 1.4927922354623788
Energy: 1.2007394101420017
Energy: 1.2826259737052792
Energy: 1.3752030146099425
Energy: 1.4539133605499297
Energy: 1.3934141369086177
Energy: 1.4927922354617207
Energy: 1.2007394101393696
Energy: 1.2826259737062662
Energy: 1.2992574494934317
Energy: 1.2964390282497735
Energy: 1.5700406173319437
Energy: 1.4169136013622867
Energy: 1.5021009204104823
Energy: 1.2233329306512906
Energy: 1.2992574494970508
Energy: 1.2964390282520766
Energy: 1.5700406173312857
Energy: 1.4169136013636028
Energy: 1.4371469693760222
Energy: 1.1953226418000273
Energy: 1.4866014516725115
Energy: 1.3910897094980195
Energy: 1.4547514996787079
Energy: 1.3753258533477837
Energy: 1.437146969374048
Energy: 1.1953226417993692
Energy: 1.4866014516711954
Energy: 1.3910897094983483
Energy: 1.3914939778755735
Energy: 1.436249226273398
Energy: 1.1949214798123464
Energy: 1.2840793702075637
Energy: 1.2835230295652167
Energy: 1.2828518487986438
Energy: 1.3914939778775475
Energy: 1.436249226272411
Energy: 1.1949214798110306
Energy: 1.2840793702072346
Energy: 1.417343639071891
Energy: 1.57922203877113
Energy: 1.2963694291394172
Energy: 1.3001655822151017
Energy: 1.2237955530066797
Energy: 1.2846802481603286
Energy: 1.4173436390712326
Energy: 1.5792220387694849
Energy: 1.2963694291374432
Energy: 1.300165582216089
Energy: 1.4398616811125082
Energy: 1.200958413432276
Energy: 1.4719731827822264
Energy: 1.5623902933253049
Energy: 1.4343797543104742
Energy: 1.374607726426753
Energy: 1.4398616811128373
Energy: 1.20095841343425
Energy: 1.4719731827809104
Energy: 1.5623902933246467
Energy: 1.4968073611576114
Energy: 1.3885877427113047
Energy: 1.3587814450100386
Energy: 1.1873398262944521
Energy: 1.5986659502233536
Energy: 1.434107509057743
Energy: 1.4968073611566244
Energy: 1.388587742713279
Energy: 1.3587814450097095
Energy: 1.1873398262937942
Energy: 1.454544110524851
Energy: 1.407883133684336
Energy: 1.4105790330855554
Energy: 1.3213993006021432
Energy: 1.589585826906695
Energy: 1.355723228185161
Energy: 1.4545441105225483
Energy: 1.407883133682691
Energy: 1.4105790330868713
Energy: 1.3213993006031304
Energy: 1.2422611767308018
Energy: 1.3391748022670735
Energy: 1.1676460726815674
Energy: 1.394103979937351
Energy: 1.222538911469817
Energy: 1.3062825344911724
Energy: 1.2422611767350793
Energy: 1.3391748022683894
Energy: 1.1676460726845284
Energy: 1.394103979939654
Energy: 1.2621101871653257
Energy: 1.3064235099117172
Energy: 1.3086044161604091
Energy: 1.2629966674066493
Energy: 1.3995166433923418
Energy: 1.260610769301716
Energy: 1.2621101871633515
Energy: 1.3064235099107302
Energy: 1.308604416158435
Energy: 1.2629966674079651
Energy: 1.4768408575110354
Energy: 1.411580234458255
Energy: 1.5634139224544976
Energy: 1.1822535609087477
Energy: 1.3770656297255484
Energy: 1.2623173156294063
Energy: 1.4768408575120224
Energy: 1.4115802344575972
Energy: 1.5634139224551558
Energy: 1.1822535609074314

minimum gb energy = 1.1676460726815674 eV
minimum distance =  2.32879250950556 Angstroms
sigma value = 437


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

Energy: 1.318206822145954
Energy: 1.4381363829597258
Energy: 1.4761635214729774
Energy: 2.213452200591177
Energy: 1.476224902168877
Energy: 1.4380557196438066
Energy: 1.318206822145954
Energy: 1.4381363829609244
Energy: 1.4761635214717785
Energy: 2.213452200594773
Energy: 1.3013303466307646
Energy: 1.4138583047729731
Energy: 1.476326641310201
Energy: 1.3361391058827743
Energy: 1.4018222712950907
Energy: 1.3356782236659361
Energy: 1.3013303466307646
Energy: 1.4138583047705757
Energy: 1.4763266413090024
Energy: 1.3361391058815753
Energy: 1.2980406206861839
Energy: 1.4407040070202715
Energy: 1.3430321254576456
Energy: 1.4403098087296462
Energy: 1.371087753741456
Energy: 1.3316473781282818
Energy: 1.2980406206849848
Energy: 1.4407040070190726
Energy: 1.343032125412097
Energy: 1.4403098087284476
Energy: 1.3401174742111135
Energy: 1.4424164657597456
Energy: 1.4757837282191046
Energy: 1.335282698318113
Energy: 1.4796337611302295
Energy: 1.3354099215893191
Energy: 1.340117474209915
Energy: 1.4424164657609442
Energy: 1.4757837282191046
Energy: 1.3352826983193113
Energy: 1.2981151464933558
Energy: 1.4976283473036824
Energy: 1.4745571710115528
Energy: 1.4972528893588262
Energy: 1.3022529876532147
Energy: 1.3930610483727512
Energy: 1.2981151464921572
Energy: 1.4976283473000864
Energy: 1.4745571710150944
Energy: 1.4972528893564288
Energy: 1.2965236231536685
Energy: 1.3407639869754184
Energy: 1.3978148295263992
Energy: 1.4976235742706185
Energy: 1.3976833058844904
Energy: 1.4984497572227728
Energy: 1.296523623154867
Energy: 1.3407639869778158
Energy: 1.3978148295252006
Energy: 1.4976235742670225
Energy: 1.3380726642131806
Energy: 1.4404950331816884
Energy: 1.409075119677029
Energy: 1.3340929831583244
Energy: 1.475954201230883
Energy: 1.4417451628173463
Energy: 1.3380726642107832
Energy: 1.4404950331780926
Energy: 1.409075119678228
Energy: 1.3340929831583244
Energy: 1.4531631432768628
Energy: 1.4403469588364242
Energy: 1.4798426618620404
Energy: 1.3353257343251683
Energy: 1.3400355101869996
Energy: 1.4398720837103034
Energy: 1.4531631432792602
Energy: 1.4403469588388214
Energy: 1.479842661866835
Energy: 1.3353257343251683
Energy: 1.295276702906293
Energy: 1.3346717517512585
Energy: 1.3428899731515302
Energy: 1.337488475312254
Energy: 1.4765564094536734
Energy: 1.406629623163088
Energy: 1.2952767029086905
Energy: 1.334671751753656
Energy: 1.342889973155126
Energy: 1.3374884753146514
Energy: 1.3751245223980253
Energy: 1.3167988633105832
Energy: 1.3979351663823318
Energy: 1.6535423469223556
Energy: 1.4758151752259339
Energy: 1.526496249115214
Energy: 1.3751245223992237
Energy: 1.3167988633105832
Energy: 1.3979351663835304
Energy: 1.6535423469235544
Energy: 1.3507176983516735
Energy: 1.3345093301424984
Energy: 1.4760492547448085
Energy: 1.3374386950418429
Energy: 1.4057982346391296
Energy: 1.442995053043853
Energy: 1.3507176983516735
Energy: 1.3345093301424984
Energy: 1.476049254740014
Energy: 1.337438695040644
Energy: 1.4127022763830095
Energy: 1.4394282582831646
Energy: 1.3649525566778185
Energy: 1.4395845504345122
Energy: 1.3648829265838807
Energy: 1.4386936048068053
Energy: 1.4127022763794137
Energy: 1.439428258284363
Energy: 1.3649525566766196
Energy: 1.4395845504357105
Energy: 1.3507479516135033
Energy: 1.4429822030134813
Energy: 1.4057982346343347
Energy: 1.3377788582174004
Energy: 1.476203564193963
Energy: 1.334485116241912
Energy: 1.3507479516135033
Energy: 1.4429822030158788
Energy: 1.405798234636732
Energy: 1.3377788582221948
Energy: 1.2897366085616309
Energy: 1.526811114652789
Energy: 1.4757842432397519
Energy: 1.6535525371699673
Energy: 1.3972555034255945
Energy: 1.3125429479672641
Energy: 1.2897366085664252
Energy: 1.526811114652789
Energy: 1.4757842432373547
Energy: 1.6535525371711661

minimum gb energy = 1.2897366085616309 eV
minimum distance =  2.35025061116724 Angstroms
sigma value = 33