Model name: model_name=EAM_Dynamo_Wen_2021_FeH__MO_634187028437_000
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=3.658099144697189
cohesive_energy=3.753663665727904
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[7.8191827357419e-20, 1.6682503983861599e-19, 2.2475494039415395e-19, 2.78205155081028e-19, 3.3167139153424194e-19, 3.8186918765409595e-19, 4.2541314421294795e-19, 4.61657584027296e-19, 4.90953383779986e-19, 5.14104836141286e-19, 5.32520254372482e-19, 5.47337183883714e-19, 5.593535086387139e-19, 5.6915722746216e-19, 5.771793258685979e-19, 5.8371300218205e-19, 5.88937700185524e-19, 5.930024223059819e-19, 5.96048160087216e-19, 5.98243142075796e-19, 5.99752392465024e-19, 6.00700881032352e-19, 6.012007601421599e-19, 6.013561712756579e-19, 6.01175125316016e-19, 6.005582873119259e-19, 5.993838918392039e-19, 5.97504538647522e-19, 5.947519991903099e-19, 5.9099329280694595e-19, 5.86143504135828e-19, 5.801049004022819e-19, 5.727156617662739e-19, 5.63652148547736e-19, 5.525106122349e-19, 5.3877194759835e-19, 5.215245161333399e-19, 4.9842112907106e-19, 4.6477541975706e-19, 4.140280770517439e-19, 3.38562353237076e-19, 2.3218743779928e-19, 8.74033816969386e-20, -1.067700121957404e-19, -3.92791225768074e-19, -8.50791040539948e-19, -1.6345726455394797e-18, -3.0927456436755597e-18, -6.07852997526528e-18, -1.278279003493926e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.141421623913241 eV

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

Energy: 0.014138637896796364
Energy: 0.014622765523812392
Energy: -4.190124235584779
Energy: -5.480629965775763
Energy: 0.014622765522621374
Energy: 1.0937518038537934
Energy: 0.014622765523812392
Energy: 1.0937518038580132
Energy: -4.261180333273771
Energy: 0.014622765523233895
Energy: 0.014138637896796364
Energy: 0.014622765523233895
Energy: -5.490925019194032
Energy: 1.0937518038490293
Energy: 0.014622765522621374
Energy: 1.0937518038514116

minimum gb energy = -5.490925019194032 eV
minimum distance =  2.527417735937 Angstroms
sigma value = 1


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

Energy: 0.3361000588603838
Energy: 0.1421719329656195
Energy: 0.1966100946994381
Energy: 0.1505546623759478
Energy: 0.14659801446882686
Energy: 0.13209964540431646
Energy: 0.1877884989636309
Energy: 0.1320996454020879
Energy: 0.07313131009039862
Energy: -0.32008017331007516
Energy: 0.1542081113387467
Energy: -0.32008017330636085
Energy: 0.07709727946171521
Energy: 0.2222540074778923
Energy: 0.20835719776968561
Energy: 0.22225400695218428
Energy: 0.1985085479203489
Energy: 0.2755730545313891
Energy: -0.062315961107536184
Energy: 0.2755730545343605
Energy: 0.12466025267864486
Energy: 0.46335920588525736
Energy: 0.07530572792234264
Energy: 0.46335919449783264
Energy: 0.016478596944430716
Energy: 0.49812646671908123
Energy: 0.19318007061614945
Energy: 0.4981264667153669
Energy: 0.15236777140775448
Energy: 0.4341343991125981
Energy: 0.09204058242009094
Energy: 0.43413440258394564
Energy: 0.02820854625125428
Energy: 0.6556239766822485
Energy: -0.0009419537167571283
Energy: 0.6556239766837341
Energy: 0.06093244994626847
Energy: 0.643904565765507
Energy: -0.023862344238365907
Energy: 0.6439045657640212
Energy: 0.058316284994273465
Energy: 0.6616393903761965
Energy: 0.009940606599351276
Energy: 0.6616393903761965
Energy: -0.004142664604968735
Energy: 0.046325722220879904
Energy: -0.06487541713000203
Energy: 0.04632579428261868
Energy: -0.07998359574002263
Energy: 0.566339900601745
Energy: 0.23257524617133035
Energy: 0.5663399006039737
Energy: 0.22681294493885423
Energy: -0.18916143918593106
Energy: 0.2643562186112486
Energy: -0.18916143723828913
Energy: 0.3036917445854633
Energy: 0.3242012162270079
Energy: 0.043003538148039186
Energy: 0.3242012162232937
Energy: 0.18736901354357288
Energy: 0.2046049508359436
Energy: 0.22657131977239406
Energy: 0.2060190446880577
Energy: 0.1713369312168655
Energy: -0.3482295652314019
Energy: 0.20368129561841236
Energy: -0.3482295652366019
Energy: 0.22321837553459625
Energy: -0.2933710637469885
Energy: 0.14781366212242555
Energy: -0.29337106374550287
Energy: 0.26277657865697535
Energy: -0.3550438009169027
Energy: 0.07241945114946002
Energy: -0.35504380089610266
Energy: 0.06350587476619325
Energy: -4.450874131542852
Energy: 0.07160813630842969
Energy: -4.325570998052404
Energy: -0.06889037601246208
Energy: 0.28421200641499167
Energy: 0.19882064382598896
Energy: 0.2842120064209345
Energy: 0.0423179123748713
Energy: 0.342874398631009
Energy: 0.21793287920200075
Energy: 0.3428743986332376
Energy: 0.17414152094869326
Energy: 0.49896873173388273
Energy: 0.007092712644388972
Energy: 0.49896873173611134
Energy: 0.10435023369329702
Energy: -0.129699431802498
Energy: 0.0026395493119708976
Energy: -0.12969941105916588
Energy: -0.039524546391407275
Energy: 0.6119987504569254
Energy: 0.02708386843596674
Energy: 0.6119987504561827
Energy: 0.034305353410873825
Energy: 0.032182158647672945
Energy: 0.0896979999987718
Energy: 0.03218214970317462
Energy: 0.00015203810631554522
Energy: 0.6634630139518637
Energy: 0.06235583658091685
Energy: 0.6634630139518637
Energy: -0.07182568873508605
Energy: 0.03385412626024339
Energy: 0.0997549701482095
Energy: 0.03385385957261755
Energy: 0.29304885541696885
Energy: 0.5847712282758833
Energy: -0.08139599850434466
Energy: 0.584771228272169
Energy: 0.28025408165420995
Energy: 0.34103619063700086
Energy: 0.23326595916498458
Energy: 0.3410361906518243
Energy: 0.020836518039887945
Energy: 0.31017373533220793
Energy: 0.303566248958391
Energy: 0.3101737350493136
Energy: 0.2246841157210315
Energy: 0.3485393547582651
Energy: 0.1870725592377704
Energy: 0.3485393547545507
Energy: 0.20573173120674668
Energy: -0.31993631010080253
Energy: -0.036893014719891454
Energy: -0.3199363100993169

minimum gb energy = -4.450874131542852 eV
minimum distance =  2.29293761056931 Angstroms
sigma value = 1


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

Energy: 0.347890569543464
Energy: 0.22081480733292488
Energy: 0.27352047334271146
Energy: 0.1793052086952035
Energy: 0.22242278754536635
Energy: 0.24075747965306465
Energy: -0.020771052732772674
Energy: 0.24075747972840827
Energy: 0.09992380881917383
Energy: 0.04845555247275259
Energy: 0.26756430874443876
Energy: 0.048455552476987546
Energy: 0.15227550025448502
Energy: 0.36176098382222277
Energy: -0.020903798705690108
Energy: 0.36176098382222277
Energy: 0.22811214900472015
Energy: 0.433359068866441
Energy: 0.2743072056317012
Energy: 0.4333590687995288
Energy: 0.27272823291207593
Energy: 0.42274695777536503
Energy: 0.30723566209519343
Energy: 0.4227469577863759
Energy: 0.2320757979142458
Energy: 0.6293818201833122
Energy: 0.24636121627958074
Energy: 0.6293818201816181
Energy: 0.20478480822351616
Energy: 0.5521902723069051
Energy: 0.1615145350562771
Energy: 0.5521902723187629
Energy: 0.12738776621494058
Energy: 0.7253679951108439
Energy: 0.17291087871452207
Energy: 0.7253679951108439
Energy: 0.24242640450490857
Energy: 0.7145429534000819
Energy: 0.16297330837885785
Energy: 0.7145429534026229
Energy: 0.35266369783192364
Energy: 0.6422252083127615
Energy: 0.08750395251930883
Energy: 0.6422252083153024
Energy: 0.33147408224101443
Energy: 0.4940129956575125
Energy: 0.2960743636374412
Energy: 0.49401299563972567
Energy: 0.22440816973897781
Energy: 0.42750326122216264
Energy: 0.38246328965460863
Energy: 0.42750326121453974
Energy: 0.2902236663092429
Energy: 0.43836304543100907
Energy: 0.26273606178790393
Energy: 0.4383630454343971
Energy: 0.2927619362270769
Energy: -0.028967544122532902
Energy: 0.149487510302356
Energy: -0.028967544119991938
Energy: -3.8619547269811436
Energy: -0.08477957360781162
Energy: 0.27845854621371846
Energy: -0.08477957360272967
Energy: 0.11962887823615379
Energy: -0.039911008958267345
Energy: 0.34873128150972804
Energy: -0.03991100895318541
Energy: 0.08212759772547515
Energy: -0.0901067121856583
Energy: 0.2084434808563762
Energy: -0.09010671204852293
Energy: 0.32822636938406363
Energy: 0.4119438069172283
Energy: 0.2696375273084818
Energy: 0.41194380693162713
Energy: 0.03120811350616788
Energy: 0.3504442469048905
Energy: 0.30432150954104126
Energy: 0.35044424690234954
Energy: 0.22209314208417053
Energy: 0.6280583828184114
Energy: 0.2558439104300461
Energy: 0.6280583828184114
Energy: 0.09172797615258027
Energy: 0.5558905110880314
Energy: 0.18909674297195087
Energy: 0.5558905110837965
Energy: 0.09478654270652674
Energy: 0.7079782433901161
Energy: 0.16315113431341743
Energy: 0.7079782433926569
Energy: 0.1454016827058981
Energy: 0.6652188738445527
Energy: 0.1641570088011957
Energy: 0.6652188807275391
Energy: 0.34753892644088885
Energy: 0.636394415708204
Energy: 0.09552474206124474
Energy: 0.63639441569804
Energy: 0.344840288694348
Energy: 0.3233792343782617
Energy: 0.285693312915478
Energy: 0.3233792221032223
Energy: 0.224068481625454
Energy: 0.42694930945057513
Energy: 0.37116123249636346
Energy: 0.4269493094277065
Energy: 0.2865194201018184
Energy: 0.44509014289684673
Energy: 0.28302589143026774
Energy: 0.44509014289430576
Energy: 0.2904859137474099
Energy: 0.05420035123558135
Energy: 0.15140246177318584
Energy: 0.05420035123812232

minimum gb energy = -3.8619547269811436 eV
minimum distance =  2.2625502609502 Angstroms
sigma value = 25


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

Energy: -2.2840101334805754
Energy: 0.37741880540610423
Energy: 0.4003908640342416
Energy: 0.24138554071346152
Energy: 0.2548319523063227
Energy: 0.36612013333556914
Energy: 0.29135570413020107
Energy: 0.3661201334035069
Energy: 0.2512202774259635
Energy: 0.12186130681104504
Energy: 0.44759554182923816
Energy: 0.12186130669982935
Energy: 0.14086765277255836
Energy: 0.5400842107863549
Energy: 0.3345265094102012
Energy: 0.5400842107873395
Energy: 0.3366448706591816
Energy: 0.5440551471428122
Energy: 0.4325436161757935
Energy: 0.544055147145766
Energy: 0.28464761941624306
Energy: 0.435490621098882
Energy: 0.31837534205491996
Energy: 0.43549062106245157
Energy: 0.3991262720786962
Energy: 0.7825208835882086
Energy: 0.497982458244314
Energy: 0.7825208835872239
Energy: 0.24353866475801456
Energy: 0.644971506167973
Energy: 0.32949052510927224
Energy: 0.6449715061669884
Energy: 0.40221109906318075
Energy: 0.7854119019173104
Energy: 0.2861346810800403
Energy: 0.785411901918295
Energy: 0.3521016176025633
Energy: 0.7501040447101348
Energy: 0.3254480322168868
Energy: 0.7501040447071811
Energy: 0.36474340910948005
Energy: 0.5456091310299579
Energy: 0.43034509238744184
Energy: 0.5456091310309424
Energy: 0.36856167408963325
Energy: 0.5192812453732489
Energy: 0.34662515723922843
Energy: 0.5192812453693105
Energy: 0.14401504869501128
Energy: 0.15443558125833037
Energy: 0.37621226564503363
Energy: 0.15443558125833037
Energy: 0.3457493073209528
Energy: 0.3192113644542215
Energy: 0.24047375144834096
Energy: 0.3192113652198868
Energy: 0.3973909525413291
Energy: 0.10445150341005666
Energy: -2.4437224557869484
Energy: 0.10445150341399509
Energy: -2.677997589046944
Energy: 0.13406678969440944
Energy: -2.611697831776043
Energy: 0.13406678987553214
Energy: 0.43586283701837925
Energy: 0.5274648694706728
Energy: 0.349825577249571
Energy: 0.5274648694559038
Energy: 0.4252971624793296
Energy: 0.5295149654435024
Energy: 0.28870009780231265
Energy: 0.5295149654503948
Energy: 0.4371566259315864
Energy: 0.7885740433623231
Energy: 0.39743023110612796
Energy: 0.7885740433623231
Energy: 0.32498208493912106
Energy: 0.7578090034151781
Energy: 0.38512314404614995
Energy: 0.7578090033650079
Energy: -2.894404074498179
Energy: 0.7799306805596046
Energy: 0.40035393725091517
Energy: 0.77993068055862
Energy: 0.27863102179148835
Energy: 0.7358905881617369
Energy: 0.26229941886900676
Energy: 0.7358905881755214
Energy: 0.4318209954114072
Energy: 0.5615173648587318
Energy: 0.36456895557044117
Energy: 0.5615173648567626
Energy: 0.3461953939720929
Energy: 0.5576742579544196
Energy: 0.36580159809460966
Energy: 0.5576742579563442
Energy: 0.3763492948030692
Energy: 0.22784424141780987
Energy: 0.2486383115214396
Energy: 0.22784424141682527

minimum gb energy = -2.894404074498179 eV
minimum distance =  2.26778605399271 Angstroms
sigma value = 9


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

Energy: 0.515948542066898
Energy: 0.3945104979386762
Energy: -0.17140018268153784
Energy: -0.21427204584263906
Energy: 0.18084616591816824
Energy: 0.606410851823773
Energy: 0.32712944028857405
Energy: 0.6064108518073291
Energy: 0.28957830130806045
Energy: 0.2724342852523969
Energy: 0.3488144745017214
Energy: 0.2724342852512223
Energy: 0.27054207932902014
Energy: 0.60475787296332
Energy: 0.3347088509330142
Energy: 0.6047578729973557
Energy: 0.5010001902835339
Energy: 0.5522779754866448
Energy: 0.5214213374605637
Energy: 0.5522779732536393
Energy: 0.46627299726783256
Energy: 0.6092708055836809
Energy: 0.4157680059792195
Energy: 0.6092708054944672
Energy: 0.573503199874833
Energy: 0.8060485461909501
Energy: 0.38023081001226433
Energy: 0.8060485461862518
Energy: 0.36971396875070467
Energy: 0.7378490387443533
Energy: 0.44338523360628473
Energy: 0.7384539242188493
Energy: 0.424807225896717
Energy: 0.74804465611272
Energy: 0.36043986356275765
Energy: 0.7480443935663544
Energy: 0.3570603617239561
Energy: 0.703209050225613
Energy: 0.3784163628221252
Energy: 0.7032090502044709
Energy: 0.49979758463032337
Energy: 0.4545856931029751
Energy: 0.4633623765103941
Energy: 0.4545856930712619
Energy: 0.17869064828563305
Energy: 0.4632953764966762
Energy: 0.4443124008024018
Energy: 0.46329537567247947
Energy: 0.28414425966300744
Energy: 0.41892443351102987
Energy: 0.31082299512905254
Energy: 0.41892443356153614
Energy: 0.23617152397507066
Energy: 0.37716732391959323
Energy: 0.3316964047355075
Energy: 0.37716731116596774
Energy: 0.5013431126126056
Energy: 0.586878850846012
Energy: 0.37811380303616715
Energy: 0.5868788374548921
Energy: 0.4975812194855015
Energy: 0.6041235941939629
Energy: 0.3882768034857639
Energy: 0.604123597521208
Energy: 0.4550386696559328
Energy: 0.8703354640591798
Energy: 0.34707757016773827
Energy: 0.8703354640603543
Energy: 0.4488214241244266
Energy: 0.8393358231662027
Energy: 0.27685918469648507
Energy: 0.8393358231533092
Energy: 0.5344808890883946
Energy: 0.6894329462012637
Energy: 0.3402212556166077
Energy: 0.689432946203613
Energy: -0.12271893383433229
Energy: 0.6795274852764527
Energy: 0.3339701612474177
Energy: 0.6795274852764527
Energy: 0.46250745528305937
Energy: -0.15630851128227058
Energy: 0.0979834070548943
Energy: -0.15636031715584323

minimum gb energy = -0.21427204584263906 eV
minimum distance =  2.27096146296847 Angstroms
sigma value = 25


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

Energy: 0.9101461621866987
Energy: 0.6858835180277666
Energy: 0.6655495860959832
Energy: 0.5463308318857346
Energy: 0.4603138302907607
Energy: 0.7006173856870707
Energy: 0.5394878555336482
Energy: 0.7006173856899759
Energy: 0.5719485124885203
Energy: 0.5315592780025006
Energy: 0.6000130657108388
Energy: 0.531559278001048
Energy: 0.5665720259197375
Energy: 0.7072938527872873
Energy: 0.6998285482672008
Energy: 0.7072938527858347
Energy: 0.8036873810661497
Energy: 0.8622668910933081
Energy: 0.6896743977612159
Energy: 0.8622668910744576
Energy: 0.5701171611878858
Energy: 0.8712822450645626
Energy: 0.6954935093683734
Energy: 0.8712822450660153
Energy: 0.6957643172669381
Energy: 0.8516765789943729
Energy: 0.6947088926255832
Energy: 0.851676578997278
Energy: 0.7054098473097381
Energy: 0.8505142773848453
Energy: 0.6558232278823529
Energy: 0.8505142773877504
Energy: 0.5410020126219462
Energy: 0.530003561820948
Energy: 0.45873797036594327
Energy: 0.5300035617774037
Energy: 0.5601180928306652
Energy: 0.5319325352252487
Energy: 0.44226571497039435
Energy: 0.5319325384064224
Energy: 0.5951011747081747
Energy: 0.7149752468236267
Energy: 0.5698178952713708
Energy: 0.7149752468265318
Energy: 0.6043865026028364
Energy: 0.5338528094793259
Energy: 0.5690478375784119
Energy: 0.5338528094982092
Energy: 0.6912773464743359
Energy: 0.8654523752007215
Energy: 0.8028165047060267
Energy: 0.8654523752181523
Energy: 0.6885092554433467
Energy: 0.8563009529256382
Energy: 0.5656238914629012
Energy: 0.8563009529212805
Energy: 0.6940101557766427
Energy: 0.8610040166314077
Energy: 0.7056521681388719
Energy: 0.8610040166299551
Energy: 0.6863697615556449
Energy: 0.8721599786773048
Energy: 0.7085890815013076
Energy: 0.8721599786773048
Energy: 0.44770887365514295
Energy: 0.5367883039642327
Energy: 0.5682061744615258
Energy: 0.5367883039671378

minimum gb energy = 0.44226571497039435 eV
minimum distance =  2.28599121095754 Angstroms
sigma value = 17


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

Energy: 0.5576122475728985
Energy: 0.5186512323025835
Energy: 0.5736060179344497
Energy: -0.056558150529086776
Energy: 0.5464716956311365
Energy: 0.600107580943512
Energy: 0.1505842447735839
Energy: 0.6001075809089599
Energy: 0.5995015854947219
Energy: 0.5897235268630748
Energy: 0.4653767047451324
Energy: 0.5897235268589615
Energy: 0.5961525822259169
Energy: 0.8541317714276927
Energy: 0.5731011242610485
Energy: 0.8541317715000503
Energy: 0.5163523345434048
Energy: 0.9274170893836764
Energy: 0.6550793247199121
Energy: 0.9274170893803857
Energy: 0.5769361102739836
Energy: 1.02377803277382
Energy: 0.5876299259276621
Energy: 1.0237780327762882
Energy: 0.5061812057190943
Energy: 0.5852592975343868
Energy: 0.6000755990924592
Energy: 0.5852592975393227
Energy: 0.431731678382996
Energy: 0.593132119668152
Energy: 0.5281706515457136
Energy: 0.5931321196689747
Energy: 0.49653294245870494
Energy: 0.413681566349871
Energy: 0.5454238678797291
Energy: 0.4136815663556298
Energy: 0.5092501018884552
Energy: 0.1052597888085632
Energy: 0.5395097437270888
Energy: 0.10525978910457458
Energy: 0.6129569020166453
Energy: 0.8480983294097836
Energy: 0.6060179928333967
Energy: 0.8480983292264406
Energy: 0.6096400742754766
Energy: 0.8117271271160621
Energy: 0.6552461476334855
Energy: 0.8117271271571582
Energy: 0.5931996582708734
Energy: 0.848379645619989
Energy: 0.6684686185131612
Energy: 0.848379645619989
Energy: 0.4983403847080833
Energy: 0.7910578421786318
Energy: 0.5761496722084258
Energy: 0.7910578442277889
Energy: 0.4331449756388368
Energy: 0.17752170987937746
Energy: 0.5377126318573346
Energy: 0.17752170995255764
Energy: 0.4744688483623168
Energy: 0.14471775092049935
Energy: 0.5201790518106973
Energy: 0.14471775091803135
Energy: 0.5670910665474872
Energy: 0.6035761376371235
Energy: 0.5392342605769305
Energy: 0.6035761128635966
Energy: 0.5191831796571877
Energy: 0.5958351224222095
Energy: 0.6014325536075963
Energy: 0.595835122423032
Energy: 0.5883938118374533
Energy: 0.9497595289014107
Energy: 0.5937901248698513
Energy: 0.949759528903056
Energy: 0.7476656518872846
Energy: 0.9773425868162086
Energy: 0.5980874249557444
Energy: 0.9773425868178539
Energy: 0.6530280553925161
Energy: 0.5244148808338497
Energy: 0.5517119696267472
Energy: 0.5244148789055502
Energy: 0.5455495951258358
Energy: 0.4822574710736273
Energy: 0.506035865701727
Energy: 0.4822574711418715
Energy: 0.5434738274103847
Energy: 0.16716987124189242
Energy: 0.48126552352447677
Energy: 0.16716987748812126
Energy: 0.5457983532066024
Energy: 0.4965723202703211
Energy: 0.5577597439829248
Energy: 0.4965723202686757
Energy: 0.5729821774285333
Energy: 0.9148964880098922
Energy: 0.5434701889371015
Energy: 0.9148964877278664
Energy: 0.6399190518655445
Energy: 0.757488388338021
Energy: 0.6043259376970459
Energy: 0.7574884021141045
Energy: 0.5999041542212079
Energy: 0.9809686583834331
Energy: 0.5736618422728615
Energy: 0.9809686583859012
Energy: 0.5971664536305064
Energy: 0.8302087995574607
Energy: 0.47360162963834457
Energy: 0.8302087995615741
Energy: 0.28713658078808835
Energy: 0.8831139475169963
Energy: 0.6033105116588691
Energy: 0.8831139475095923
Energy: 0.5272595957751633
Energy: 0.06842014217662232
Energy: 0.08731217087232282
Energy: 0.06842014218731701

minimum gb energy = -0.056558150529086776 eV
minimum distance =  2.26190021564679 Angstroms
sigma value = 53


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

Energy: 1.3225085969546873
Energy: 0.7829342244556926
Energy: 0.848456676759716
Energy: 0.7104607743211128
Energy: 0.6641816906208743
Energy: 0.707336939757428
Energy: 0.6916105416336391
Energy: 0.7073369398085639
Energy: 0.7160963887383649
Energy: 0.7172788436612857
Energy: 0.7952620636513749
Energy: 0.7172788436385588
Energy: 0.7166266654418617
Energy: 0.7990446103003197
Energy: 0.6927799836284622
Energy: 0.7990446103041076
Energy: 0.6840547183228205
Energy: 0.7963240579451265
Energy: 0.8258237882728434
Energy: 0.7963240579394878
Energy: 0.6787578951014329
Energy: 0.833367380847698
Energy: 0.7859013841639836
Energy: 0.833367380847698
Energy: 0.6646508542550812
Energy: 0.6834964840770367
Energy: 0.7215959831209279
Energy: 0.6834964840770367
Energy: 0.6678033787941735
Energy: 0.703894944852057
Energy: 0.6989422782926308
Energy: 0.7038949448501629
Energy: 0.710063293863043
Energy: 0.7115678829973854
Energy: 0.7929107202796253
Energy: 0.7115678829973854
Energy: 0.743912261638121
Energy: 0.7067205275777352
Energy: 0.6898539217876617
Energy: 0.706720527583417
Energy: 0.724351402519518
Energy: 0.8331993665977661
Energy: 0.7869202990948213
Energy: 0.833199366601554
Energy: 0.7113043176610897
Energy: 0.7938830008236771
Energy: 0.858319728134512
Energy: 0.7938830008255711
Energy: 0.6668570658960847
Energy: 0.7013889606418151
Energy: 0.7346742089125392
Energy: 0.7013889606493908

minimum gb energy = 0.6641816906208743 eV
minimum distance =  2.29855407566084 Angstroms
sigma value = 9


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

Energy: 0.6220125546774135
Energy: 0.3005756309485557
Energy: 0.5344311866283484
Energy: -0.6445290429557343
Energy: 0.6102174607844459
Energy: 0.8562905761182101
Energy: 0.5018016588461794
Energy: 0.856290575615102
Energy: 0.3692753398775304
Energy: 0.3710174809987993
Energy: 0.41320566379761214
Energy: 0.37101748191318773
Energy: 0.38692140029171523
Energy: 0.35520980759972015
Energy: 0.3530303871738003
Energy: 0.35520980596721585
Energy: 0.45231047725362383
Energy: 0.35783544075821194
Energy: 0.37681046498731546
Energy: 0.35783553907514243
Energy: 0.5810726174586193
Energy: -1.5320955569635168
Energy: 0.46881411353794944
Energy: -1.5062536759490808
Energy: 0.6681338293099658
Energy: 0.4234696686455655
Energy: 0.21834345583000245
Energy: 0.42346966865257524
Energy: 0.6349234626851771
Energy: 0.31918787889088496
Energy: 0.5776422549580152
Energy: 0.3191878789076446
Energy: 0.31813374955718055
Energy: 0.7189634594430414
Energy: 0.6510145843784539
Energy: 0.7189634593505766
Energy: 0.5236483005568023
Energy: 0.8409007007216904
Energy: 0.43094964047149575
Energy: 0.8409007007188866
Energy: 0.6559167187671777
Energy: 0.33960361832505565
Energy: 0.6712097762756731
Energy: 0.33960361830823227
Energy: 0.5798896753844399
Energy: 0.30881878312690797
Energy: 0.577110126140852
Energy: 0.30881878313531963
Energy: 0.6411044123496245
Energy: 0.7507280519700426
Energy: 0.6862350669655677
Energy: 0.7507280518446319
Energy: 0.6263419867166019
Energy: 0.7522106122935459
Energy: -0.22736942545748487
Energy: 0.752210612209429
Energy: 0.6150869097627373
Energy: 0.8577646878632333
Energy: 0.3410375492168021
Energy: 0.8577646880075702
Energy: 0.45050663827051834
Energy: 0.9690560953233409
Energy: 0.5130003886638518
Energy: 0.9690560953261448
Energy: 0.6517110809093944
Energy: 1.0462985718061906
Energy: -0.7205474382393934
Energy: 1.0462985718061906
Energy: 0.5599891783425726
Energy: 0.5992098643026247
Energy: 0.6374641269064214
Energy: 0.5992098643081688
Energy: 0.6597443256299779
Energy: -0.2993817658522749
Energy: 0.4348972281597111
Energy: -0.28824919896282464
Energy: -0.04410738657463917
Energy: -0.9470371915398638
Energy: 0.3174487531993382
Energy: -0.9381159411108485
Energy: 0.6659788674659421
Energy: 0.7663128600489955
Energy: 0.5190638919366731
Energy: 0.76631285895879
Energy: 0.5048735639902413
Energy: -0.8732285295274502
Energy: -0.14822599325733912
Energy: -1.011095018603563
Energy: 0.45170872916006055
Energy: 0.9745633793591927
Energy: 0.6153275073692572
Energy: 0.9745633793507809
Energy: 0.5771644551019952
Energy: -0.39403716443960046
Energy: 0.6590568124405001
Energy: -0.39363546830817364
Energy: 0.2839700367124384
Energy: 0.24313624780496254
Energy: 0.655896883941114
Energy: 0.24313624780916837
Energy: 0.6069479324889836
Energy: 0.7802481939132097
Energy: 0.47428055723499124
Energy: 0.7802481444505855
Energy: 0.13023300639976967
Energy: 0.40427547767015803
Energy: 0.5435339249579594
Energy: 0.43258278073325
Energy: 0.6849187167018692
Energy: 0.5195867099603578
Energy: 0.5032142421375952
Energy: 0.5195867144502225
Energy: 0.5131028021248059
Energy: -1.048453877600031
Energy: 0.22314845189632632
Energy: -1.0689381050321574
Energy: 0.5341255814168547
Energy: 0.3046442086319478
Energy: 0.6452160598445355
Energy: 0.3046443211983377
Energy: 0.4102223592334734
Energy: 0.4114486674495432
Energy: 0.575107486205544
Energy: 0.41144866767589405
Energy: 0.3810964176113234
Energy: 0.7818239435992281
Energy: -0.7009278654919302
Energy: 0.7818239436075762
Energy: 0.30611913207571806
Energy: 0.6219350182687625
Energy: 0.49712977091581273
Energy: 0.6219350182063759
Energy: -0.719191619705188
Energy: 0.7216020036145605
Energy: 0.6277445032412992
Energy: 0.7215958614331462
Energy: 0.6235029711088087
Energy: 0.2859320057722879
Energy: 0.5532162214308289
Energy: 0.28593200577088596

minimum gb energy = -1.5320955569635168 eV
minimum distance =  2.21670922336878 Angstroms
sigma value = 73


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

Energy: 0.6195268029711011
Energy: 0.5963506279631231
Energy: -0.2188248869271142
Energy: -0.2283445293639822
Energy: 0.6084182814855685
Energy: 0.6989539020935658
Energy: 0.5291352135464359
Energy: 0.6989538846772116
Energy: 0.547295815791545
Energy: 0.5300254289699129
Energy: 0.6226973722677689
Energy: 0.5300254289676886
Energy: 0.5214918022181567
Energy: 0.5276480531253523
Energy: 0.5681987371663136
Energy: 0.5276480531264646
Energy: 0.5288340681021787
Energy: 0.8955017191880997
Energy: 0.46473075256860313
Energy: 0.8955017191858755
Energy: 0.534912936043268
Energy: 0.8952876764999333
Energy: 0.5053694648234967
Energy: 0.8952876764788025
Energy: 0.573974005618932
Energy: 0.75297419878815
Energy: 0.6166855231826299
Energy: 0.752974198804807
Energy: 0.5809376063819633
Energy: 0.5630104054644228
Energy: 0.642867003455893
Energy: 0.5630104054922013
Energy: 0.5988605554368884
Energy: 0.9930183766495543
Energy: 0.425212460237946
Energy: 0.9930183766451058
Energy: 0.7127878125169315
Energy: 0.8912243530860312
Energy: 0.5645711625496344
Energy: 0.8912243454133689
Energy: 0.5740691242676064
Energy: 0.601899162172372
Energy: 0.5606998788174489
Energy: 0.601899162172372
Energy: 0.5980578506213958
Energy: 0.6083696564014847
Energy: 0.6417261451084075
Energy: 0.6083696563981482
Energy: 0.6105139913759281
Energy: 0.7903851308414986
Energy: 0.6042450285299514
Energy: 0.7903851308670529
Energy: 0.6052158725515508
Energy: 0.7529551899424795
Energy: 0.6234388376335808
Energy: 0.7529551899324953
Energy: 0.6817179128386487
Energy: 0.77692355859654
Energy: 0.5662279846557375
Energy: 0.7769235585954279
Energy: 0.46040328882989556
Energy: 0.8402006271038817
Energy: 0.5566482313955504
Energy: 0.8402006271049938
Energy: 0.5584245338779454
Energy: 1.0283345443796634
Energy: 0.6262138325022089
Energy: 1.0283345443796634
Energy: 0.3479374949789408
Energy: 0.35620889645433623
Energy: 0.5849525422711572
Energy: 0.3562088964643456
Energy: 0.6113994257603389
Energy: 0.8317685611165764
Energy: 0.6016548970738061
Energy: 0.8317685611188006
Energy: 0.4909089840854355
Energy: 0.7216238137556048
Energy: 0.4862570043982223
Energy: 0.7216266819788972
Energy: 0.5039618744428715
Energy: 0.7551977044937768
Energy: 0.5814630634031585
Energy: 0.7551977045037609
Energy: 0.6880630434128887
Energy: 0.5091636538390542
Energy: 0.5564286557621059
Energy: 0.5091636538368297

minimum gb energy = -0.2283445293639822 eV
minimum distance =  2.25791609854593 Angstroms
sigma value = 7


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

Energy: -0.25298080711921733
Energy: -0.030195794122854946
Energy: 0.7361951959730888
Energy: 0.07688743649955475
Energy: -0.13643066951390498
Energy: -0.14904961124517555
Energy: -0.2987774753835305
Energy: -0.1387976107143357
Energy: 0.5606924453888217
Energy: 0.6693778527361776
Energy: 0.20656774879426235
Energy: 0.6693778528399481
Energy: 0.4788336285876588
Energy: -1.1043306419243493
Energy: 0.5544312456646495
Energy: -1.1043513443604929
Energy: -1.0133492610625103
Energy: -0.8010491370796747
Energy: 0.1777043693964137
Energy: -0.8019309886003453
Energy: -0.27627163456039383
Energy: 0.8333018626293129
Energy: 0.12667169786221252
Energy: 0.8333018626803939
Energy: -0.39312247183473525
Energy: -0.4789678483865558
Energy: -0.35140808912205984
Energy: -0.46473575546510987
Energy: -0.024292819004201778
Energy: -0.25739986909593243
Energy: -0.24332856226503935
Energy: -0.257399870176782
Energy: 0.44089252430877984
Energy: -1.1398488860212568
Energy: 0.515090305891994
Energy: -1.2696632869160187
Energy: -0.23187555132976467
Energy: 0.9867324130765118
Energy: -0.21253128248497224
Energy: 0.9867324130702206
Energy: 0.5679656605665767
Energy: 0.7199860263048072
Energy: 0.32378403884899026
Energy: 0.7199860263433054
Energy: 0.11891964892339149
Energy: -0.3630838971549366
Energy: 0.6543179113022084
Energy: -0.3630838968696126
Energy: -0.008704411999115187
Energy: 0.8862194592841718
Energy: 0.0181493375162971
Energy: 0.8862194592857445
Energy: 0.04407734025146041
Energy: 0.3164164424967153
Energy: -0.9665264916432028
Energy: 0.3203506304670094
Energy: -0.2566211004925972
Energy: 0.6616445690957312
Energy: -0.6923120693447761
Energy: 0.6616445742711335
Energy: 0.7723731482323191
Energy: -0.4905419792727856
Energy: -0.39948421439460874
Energy: -0.49054197915328696
Energy: -0.015518941867561855
Energy: -0.33971289489212286
Energy: -0.20740392972459165
Energy: -0.3397128686266601
Energy: 0.5697285500408374
Energy: 0.8401837440495848
Energy: -0.08677127202915066
Energy: 0.8401837440464394
Energy: 0.6263511200111332
Energy: 0.7035634562465543
Energy: 0.10045556570973414
Energy: 0.7035634562363309
Energy: 0.48575730427209696
Energy: 0.44984171998721045
Energy: -0.04762354784453383
Energy: 0.4498417202552334
Energy: 0.5153900498401177
Energy: 0.9520746686242894
Energy: 0.1780989465524889
Energy: 0.9520746686297944
Energy: -0.08033096711824968
Energy: 0.7718946639400798
Energy: -0.1813912179661653
Energy: 0.7718946639298564
Energy: -0.32336419549758993
Energy: -0.5905457478855236
Energy: -0.9655976652811828
Energy: -0.5905464496573999
Energy: 0.18991550309429572
Energy: -0.24652902880617542
Energy: -0.38080040767213713
Energy: -0.24652905675062428
Energy: -0.15554804462992078
Energy: -0.06625029881752305
Energy: -0.1273903989357006
Energy: -0.0662493363720227
Energy: -0.5961948474326043
Energy: 1.017340153255853
Energy: -0.1785445959515916
Energy: 1.0173401532542803
Energy: 0.21739886981425136
Energy: -0.9715251965683708
Energy: 0.11034217648586647
Energy: -0.9715235095379443
Energy: -0.3675108590492086
Energy: -0.022419157021930546
Energy: -0.2210229450805765
Energy: -0.03232832151644672
Energy: -1.0354123928216346
Energy: -1.3100582891620025
Energy: -0.23942830279411992
Energy: -1.3784326357057257
Energy: -0.24529664176460583
Energy: 0.5693838807462276
Energy: -0.026062387999376418
Energy: 0.5693837789615273
Energy: 0.061309544457297575
Energy: -0.34627344727178677
Energy: -0.16437968776889053
Energy: -0.3462734472765052

minimum gb energy = -1.3784326357057257 eV
minimum distance =  2.21905270614782 Angstroms
sigma value = 29


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

Energy: 0.9334178000182675
Energy: 0.25909856002045134
Energy: -0.2742814025212041
Energy: 0.9535607031012807
Energy: 0.607634298780413
Energy: -0.1449662201424133
Energy: -0.2658505910326972
Energy: -0.14496620640475066
Energy: -0.23728609826515704
Energy: -0.19350014149464556
Energy: 0.7792936253378632
Energy: -0.19349802331948582
Energy: 0.6063754907325775
Energy: 0.03511090607033599
Energy: -0.16090603760372224
Energy: 0.03511090606604444
Energy: 0.06626388727875432
Energy: -0.21549163255412804
Energy: 0.5887456678667911
Energy: -0.24043806590377026
Energy: 0.07761487232845324
Energy: -0.15265106680772314
Energy: 0.6018307292367152
Energy: -0.15265085570827258
Energy: 0.7792986748777679
Energy: -0.12808410479967028
Energy: -0.18363926228223465
Energy: -0.1280841199134306
Energy: -0.22951567485942478
Energy: -0.16727264410347537
Energy: 0.6078819650266896
Energy: -0.16727264303366077
Energy: 0.6085885918369511
Energy: -0.18036960245100317
Energy: -0.20561636697171476
Energy: -0.18036925044127228

minimum gb energy = -0.2742814025212041 eV
minimum distance =  2.28059613436385 Angstroms
sigma value = 5


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

Energy: 0.5544623252210605
Energy: -0.03533557066955269
Energy: -0.4410239579901942
Energy: -0.49790938170258375
Energy: -0.17474580872069648
Energy: -0.3107147796354028
Energy: -0.3537575328078954
Energy: -0.3107147150494282
Energy: 0.029499690805978227
Energy: 0.30000185461533974
Energy: -0.29828061196367067
Energy: 0.30000185405326535
Energy: -0.17229034713886643
Energy: -0.20618049699739016
Energy: -0.2677523814809488
Energy: -0.20616427399769843
Energy: -0.10662050485788906
Energy: -0.294124648932609
Energy: 0.2693598923215802
Energy: -0.2941213680988656
Energy: -0.03021416892296595
Energy: -0.32148919431231554
Energy: 0.27029043478216397
Energy: -0.3215019093578214
Energy: -0.3674755603101297
Energy: -0.2884125318791407
Energy: -0.24645224750017286
Energy: -0.2884125317195272
Energy: -0.3407561573767663
Energy: 0.07499687808892043
Energy: 0.23945285981055184
Energy: 0.07499687483962021
Energy: -0.024032312362005682
Energy: 0.47004874452594364
Energy: 0.23949058334178208
Energy: 0.4700469688387717
Energy: 0.37689025456894004
Energy: -0.33628446745761215
Energy: -0.36476427405069406
Energy: -0.33579093121083115
Energy: -0.2777525883258549
Energy: -0.5058800688170929
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Energy: -0.42488248433344183
Energy: -0.011909541269784352
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Energy: 0.4134436481049163
Energy: -0.19648192626468006
Energy: 0.5582733062030152
Energy: -0.17956901879960036
Energy: 0.5582733271824415
Energy: 0.26649969181182687
Energy: -0.31588151109797213
Energy: -0.15046056494032936
Energy: -0.3158811871182706
Energy: 0.26795639515336966
Energy: -0.25324278053525145
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Energy: -0.2532748922961482
Energy: -0.26295640615150395
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Energy: -0.22871395380341666
Energy: -0.04402446912200757
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Energy: -0.04420276962314895
Energy: 0.043594395029276686
Energy: -0.25571336266249495
Energy: 0.06025655545901234
Energy: -0.24883820111322086
Energy: -0.016841882244260396
Energy: -0.4291790413925232
Energy: 0.4959839240080863
Energy: -0.4320566334978022
Energy: -0.28533173765780334
Energy: -0.460654460679808
Energy: -0.3032608665701607
Energy: -0.46065453359992065
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Energy: -0.03484041995243798
Energy: -0.14982909432848857
Energy: -0.034840337626713964
Energy: -0.25458129670508955
Energy: -0.3660569644669917
Energy: 0.5356454553290535
Energy: -0.3417808464201326
Energy: 0.06578663822263416
Energy: 0.03963122853409097
Energy: -0.3143192224790885
Energy: 0.03963485082073397
Energy: 0.0537422565757802
Energy: -0.2941047973607393
Energy: -0.3779440743462505
Energy: -0.29410479736593936
Energy: -0.20170968829960306
Energy: -0.1801890238930112
Energy: -0.3416833907362582
Energy: -0.18018897775446094
Energy: 0.1563070786425891
Energy: -0.051688404869304844
Energy: -0.36848493538664057
Energy: -0.051688404869304844

minimum gb energy = -0.5058800722527496 eV
minimum distance =  2.20357106579546 Angstroms
sigma value = 1


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

Energy: 0.5618342003232751
Energy: 0.12413390330677043
Energy: -0.06138066926292727
Energy: -0.026625368213211605
Energy: 0.2070693825634757
Energy: -0.1764375511399867
Energy: -0.042826275811458175
Energy: -0.17031404676511042
Energy: 0.05942490681491477
Energy: 0.5035039990023596
Energy: -0.09844920765853929
Energy: 0.5035397677148703
Energy: 0.4924258477043413
Energy: 0.05316545171641369
Energy: 0.1834568842896736
Energy: 0.06804437273141592
Energy: -0.14050112594555636
Energy: 0.1704941455662435
Energy: 0.23911931470943235
Energy: 0.1705067441716163
Energy: 0.30545954097968053
Energy: 0.15528712811558895
Energy: 0.2049168327986753
Energy: 0.1552871281104533
Energy: 0.28024387071659873
Energy: -0.15507507396884151
Energy: 0.28233459495441554
Energy: -0.15507483747436335
Energy: 0.2586834556626632
Energy: -0.2389713783049582
Energy: 0.18240482896165797
Energy: -0.22274036793074528
Energy: 0.077255063673951
Energy: 0.4853294942563267
Energy: 0.06839094529974077
Energy: 0.4853294942758421
Energy: 0.3509051591059897
Energy: 0.463523042386617
Energy: 0.033214623062821025
Energy: 0.4635230420796463
Energy: 0.0650053193453739
Energy: -0.1992152838071258
Energy: -0.16209497559914193
Energy: -0.17050646812367903
Energy: 0.6290185113710025
Energy: 0.08188204676963466
Energy: -0.03420282899200442
Energy: 0.08188208008304586
Energy: 0.8815098267431339
Energy: 0.05360269280519638
Energy: 0.005893878458444662
Energy: 0.053602696965267205
Energy: 0.0480971475265692
Energy: -0.026565488405265396
Energy: 0.21688245707333156
Energy: -0.03133231085665667
Energy: 0.19951764283842532
Energy: 0.5491820182558892
Energy: 0.13637442303112127
Energy: 0.5491820171583816
Energy: 0.22268591322430034
Energy: 0.4730583686156263
Energy: 0.029496105612390217
Energy: 0.4730584672077803
Energy: -0.008592530614914464
Energy: 0.30362115876161894
Energy: 0.2958624896989606
Energy: 0.30368437679658644
Energy: 0.27903685888243146
Energy: 0.08287547290960097
Energy: 0.13001640277351
Energy: 0.08287547292192647
Energy: -0.09807667879571791
Energy: -0.0866701330164069
Energy: 0.31451809561448585
Energy: -0.08667013299588772
Energy: 0.031869704840142885
Energy: 0.21513899406726456
Energy: 0.35821119273299373
Energy: 0.21513893121144223
Energy: 0.5253537227807575
Energy: 0.6410868907495234
Energy: -0.054509011675142015
Energy: 0.6410868907772325
Energy: 0.772220382238077
Energy: 0.30209359910205397
Energy: -0.16863551905886648
Energy: 0.3020935989336754
Energy: 0.40284870214429613
Energy: 0.10091809142339446
Energy: 0.09696157592544348
Energy: 0.10091809168005927
Energy: 0.624687567774485
Energy: -0.2671923147168758
Energy: -0.19995370908998233
Energy: -0.2671923155710479

minimum gb energy = -0.2671923155710479 eV
minimum distance =  2.22654738111703 Angstroms
sigma value = 17


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

Energy: -0.23476372711886445
Energy: -0.9656548623149868
Energy: -1.1363955849540974
Energy: -0.94475348933159
Energy: -0.9433936495511122
Energy: -0.8949403914571961
Energy: -0.7924885626591598
Energy: -0.9201864412252788
Energy: -0.6010200609849451
Energy: -0.9297835018588727
Energy: -0.6405842083677684
Energy: -1.0143603102048304
Energy: -0.11784323661786933
Energy: -0.5235949871605283
Energy: -0.9488412021809244
Energy: -0.5504360275681828
Energy: -0.18190864001768414
Energy: -1.0417975068995504
Energy: 0.11176958575607741
Energy: -1.041797796312746
Energy: -1.0330222117700607
Energy: -1.0523942080489221
Energy: -0.41742027532307807
Energy: -1.0523934375239865
Energy: -0.641636994423888
Energy: -0.8739148009429516
Energy: -0.5479848220455665
Energy: -0.8739933097702004
Energy: -1.0186482519475175
Energy: -1.0041570801323598
Energy: -0.2275248531864517
Energy: -1.0041535153940735
Energy: -0.5407937118917688
Energy: -0.5846243420894969
Energy: -0.7225305666626953
Energy: -0.6022323590859207
Energy: -0.45560394575116664
Energy: -0.7652380064497433
Energy: -0.3662474563140683
Energy: -0.8719768402079109
Energy: -0.05758593924796588
Energy: -0.9622986911322017
Energy: -0.699532857277002
Energy: -0.962302975722901
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Energy: -0.7692866723916861
Energy: -0.32065105384693526
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Energy: -0.25152460696924533
Energy: -0.9920255902648256
Energy: -0.96227253897701
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Energy: -0.8131532350197564
Energy: -0.7274501235308563
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Energy: -0.7319212201475626
Energy: 0.11709856537429118
Energy: -0.8794170262835747
Energy: -0.9377922309278645
Energy: -0.7613436438691601
Energy: -0.7549307985799972
Energy: -0.7733840554149292
Energy: -0.8204044455437658
Energy: -0.7733766354675076
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Energy: -0.7777893526443023
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Energy: -0.8913797944837962
Energy: -0.6901121687770436
Energy: -0.9710760882984996
Energy: -0.46790615538350794
Energy: -0.9710765289364561
Energy: -0.6488941222175455
Energy: -0.9071172591086292
Energy: -0.9813052118417515
Energy: -0.9071167472719706
Energy: -0.7555666815817204
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Energy: -0.5489212335985764
Energy: -0.744052449977138
Energy: -0.9572140140130552
Energy: -0.5119074090689134
Energy: -0.17701785382444463
Energy: -0.561925993657276
Energy: 0.24248981671018982
Energy: -1.0467918260870013
Energy: -0.5605446655596971
Energy: -1.0448044995057935
Energy: -0.541194094249795
Energy: -1.0685636136250385
Energy: -1.0888414908548447
Energy: -1.068572688278479
Energy: -0.9904811695208667
Energy: -1.021084709830037
Energy: -0.9493117421891598
Energy: -1.021126782175052
Energy: -0.5981792465134581
Energy: -0.6212645718601079
Energy: -1.0102306932764649
Energy: -0.6233952608930449
Energy: -0.8373736033937885
Energy: -0.8461028977070045
Energy: -0.5214759730779759
Energy: -0.8460656897181326
Energy: -0.26558083082760836
Energy: -0.4409492495766225
Energy: -0.32132699179507884
Energy: -0.44092392803001595
Energy: -0.6574945769212851
Energy: -1.0432646366224099
Energy: -0.6643077591342369
Energy: -1.0406962627505165
Energy: -0.2413707420490554
Energy: -1.0492363342730135
Energy: -0.2496908458918351
Energy: -1.053139335699968
Energy: -1.0273378662721666
Energy: -0.9576431917633761
Energy: -0.23051846825374273
Energy: -0.9576431884782224
Energy: -0.9180159459613487
Energy: -0.9593275445884214
Energy: -0.8810240764445649
Energy: -0.959344271051345
Energy: -0.953015084514836
Energy: -0.4754112475277984
Energy: 0.11096676196646155
Energy: -0.475393667667174
Energy: -0.7343807101201966
Energy: -0.45163243587492763
Energy: -0.6847753576682593
Energy: -0.45162477629966497
Energy: -0.1882539833616497
Energy: -0.9699679085404738
Energy: -1.0015842347176755
Energy: -0.9387987138541601
Energy: -0.8464883934958652
Energy: -0.8929684338233531
Energy: -0.8955169275740942
Energy: -0.8929673272479519
Energy: -0.3391448293203219
Energy: -0.8408351304760706
Energy: -0.8746816592417666
Energy: -0.9311393178262628

minimum gb energy = -1.1363955849540974 eV
minimum distance =  2.1787816874276 Angstroms
sigma value = 89


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

Energy: -0.38666591700154074
Energy: 1.2237218777617613
Energy: -0.8473701556035121
Energy: -0.7878682836207515
Energy: -0.5802536385412701
Energy: -0.6554942144138776
Energy: -0.8050251104761991
Energy: -0.6506401590318523
Energy: 0.08509462091603576
Energy: -0.6709721714826108
Energy: -0.9915719070917806
Energy: -0.6707574679657601
Energy: -0.5800166811881831
Energy: -0.717334341704415
Energy: -0.6055668914052585
Energy: -0.7128734544358633
Energy: -0.44290426007982675
Energy: -0.875372842164002
Energy: -0.19113202707578572
Energy: -0.9751014008803762
Energy: -0.830476270179423
Energy: -0.8610266412186971
Energy: -0.2197441016990922
Energy: -0.8649758676830828
Energy: -0.7578540529177985
Energy: -0.8301193649765316
Energy: -0.947553672282356
Energy: -0.8301011187431608
Energy: -0.8287792670445935
Energy: -0.8740110456355206
Energy: -0.5133174061138379
Energy: -0.8516074531798848
Energy: -0.878746944505492
Energy: -0.7646383460239049
Energy: -0.5245045384557783
Energy: -0.7646368771204947
Energy: -0.8396536748957747
Energy: -0.7179396883215196
Energy: -0.7113089093641268
Energy: -0.7337572542505585
Energy: -0.5440017267408586
Energy: -0.7111212506311608
Energy: -0.446325582232368
Energy: -0.7053235883913743
Energy: -0.1325773396418652
Energy: -0.8975112158821082
Energy: -0.43051194287871464
Energy: -0.902397708578994
Energy: -0.17583721311267278
Energy: -0.858096654648522
Energy: -0.9437120725447181
Energy: -0.8580965534637139
Energy: -0.5444352549932564
Energy: -0.831595791555965
Energy: -0.7565789683657627
Energy: -0.8315955789486366
Energy: -0.49649183973288424
Energy: -0.8243352801658497
Energy: -0.8522832430922198
Energy: -0.8372000913480278

minimum gb energy = -0.9915719070917806 eV
minimum distance =  2.23489088862584 Angstroms
sigma value = 13


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

Energy: -0.4461673316030688
Energy: -1.0460185220951363
Energy: -1.1482181677317322
Energy: -1.462695716670334
Energy: -1.0976262087312996
Energy: -1.4129486495942385
Energy: -1.4786083725373091
Energy: -1.4133450827141933
Energy: -1.3683958732766939
Energy: -1.470040065926645
Energy: -0.6323587579673277
Energy: -1.4623533495670518
Energy: -0.7752151119959872
Energy: -1.5637350877649396
Energy: -1.2991014158347056
Energy: -1.3983310999684218
Energy: -1.322878767690154
Energy: -1.0296674758522117
Energy: -1.0876710425012985
Energy: -0.9772011601622932
Energy: -1.295933248452961
Energy: -1.0046285491271643
Energy: -1.1120016192306166
Energy: -1.0046678124651682
Energy: -0.6734627243156681
Energy: -1.575973406897836
Energy: -1.3203703627728025
Energy: -1.5759760981722741
Energy: -1.2471792042515328
Energy: -1.3388565190612494
Energy: -0.8647103590873099
Energy: -1.338855772762801
Energy: -1.4259265371694139
Energy: -1.2963778655176834
Energy: -0.8928303128154683
Energy: -1.2964097639700625
Energy: -1.5768024977602513
Energy: -0.8891555697813303
Energy: -1.3464488369638445
Energy: -0.8891551125717903
Energy: -1.4876288140787317
Energy: -1.4673335464755621
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Energy: -1.4242532698685029
Energy: -1.2899552756270776
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Energy: -1.575878085783687
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Energy: -1.1651202313406137
Energy: -1.2681491836716752
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Energy: -1.2199835103386638
Energy: -1.4861144836110587
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Energy: -0.8525525252844398
Energy: -1.4921950945706088
Energy: -0.8525525256191958
Energy: -0.842266666323356
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Energy: -1.5450874416270566
Energy: -1.402847733456776
Energy: -0.902331644138967
Energy: -1.5730292210261863
Energy: -1.4015318926111622
Energy: -1.5730410806367592
Energy: -1.2969176925364545
Energy: -1.1573766338265536
Energy: -0.9934859269798424
Energy: -1.2301257611977223
Energy: -0.43429225418834877
Energy: -1.6186585307208334
Energy: -1.4404163584930836
Energy: -1.6186585265502773
Energy: -1.3421174220564565
Energy: -1.353042759598235
Energy: -1.1753458329161957
Energy: -1.353042996160404
Energy: -1.2923555875677117
Energy: -1.0618772597783055
Energy: -0.42018596623315724
Energy: -1.0244879382208605
Energy: -1.470060196796894
Energy: -1.3180550878261534
Energy: -1.3632591167020756
Energy: -1.3478921951936755
Energy: -1.1576310794211133
Energy: -1.4436183661980495
Energy: -0.8638827983530617
Energy: -1.4118217168011382
Energy: -1.4910511515266212
Energy: -1.564989964210136
Energy: -0.9904011788893275
Energy: -1.5843129558069704
Energy: -1.5824577586486939
Energy: -1.5566947219369813
Energy: -1.3723815062332125
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Energy: -1.579534887150816
Energy: -1.3912101620654282
Energy: -0.9793590356626756
Energy: -1.3912103037531913
Energy: -1.2418158661359295
Energy: -1.3336832716537472
Energy: -1.1130542800192538
Energy: -1.333683271580644
Energy: -1.1428087887799971
Energy: -1.294740711178722
Energy: -1.2689318858015708
Energy: -1.2948471453977106
Energy: -1.2023808893058863
Energy: -0.7154335170795519
Energy: -0.43978667988515574
Energy: -0.7867388016648494
Energy: -1.0842700992580776
Energy: -1.5205478259134555
Energy: -1.2808423979969537
Energy: -1.348626239515521
Energy: -1.0796717777847067
Energy: -1.5739893786008858
Energy: -1.438566174771847
Energy: -1.5739893615447904
Energy: -1.0731984361533036
Energy: -1.4265150108234008
Energy: -1.6156576447884845
Energy: -1.4265287750693763
Energy: -0.7989581934001676
Energy: -1.364498465657826
Energy: -1.4414263179487934
Energy: -1.3644980179642403

minimum gb energy = -1.6186585307208334 eV
minimum distance =  2.17992539341369 Angstroms
sigma value = 37


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

Energy: 0.3796018610713903
Energy: -0.024419204459409753
Energy: -1.057306945484087
Energy: -1.0686016136853143
Energy: -0.3964513135286203
Energy: -1.0212299099279745
Energy: -0.9576035261350142
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Energy: -0.9343105460585808
Energy: -1.0513682244073614
Energy: -0.5395084395779671
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Energy: -0.7344066470857075
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Energy: -0.7363700361940432
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Energy: -0.33126564972775824
Energy: -0.7547309632434359
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Energy: -0.761284688778446
Energy: -0.6674305775574669
Energy: -1.0150113822142324
Energy: -0.46469610531236216
Energy: -1.0146374587686529
Energy: -0.8653607707194015
Energy: -1.0537130151585812
Energy: -0.17074163034534096
Energy: -1.073707186416546
Energy: -1.003553230270655
Energy: -1.071266104975404
Energy: -0.1406047485261125
Energy: -1.0553976187409997
Energy: -1.117414373567663
Energy: -0.924132685318534
Energy: -0.6326498984245371
Energy: -0.961733169203757
Energy: -1.0729368786194184
Energy: -0.024418843240951952
Energy: 0.3796018825460439
Energy: -0.02441881591634097
Energy: -0.9405209715304631
Energy: -1.0358671126820806
Energy: -0.6843718603332961
Energy: -1.0309490715388872
Energy: -0.8899929585882271
Energy: -1.051365558014809
Energy: -0.5077306840174453
Energy: -1.0513646029810495
Energy: -0.900843434853424
Energy: -0.7287146190933672
Energy: -0.5133274557329132
Energy: -0.7291992184872693
Energy: -0.48239960385513125
Energy: -0.7400419589719969
Energy: -0.5778304387353909
Energy: -0.7253816356658424
Energy: -0.17470998049920675
Energy: -0.7902544390161895
Energy: -0.858097448559471
Energy: -0.718136547779717
Energy: -0.5561203203289661
Energy: -1.0414083174902262
Energy: -0.6701783952106015
Energy: -1.0654284096002196
Energy: -0.19018576536044227
Energy: -1.1074479153901289
Energy: -0.8550677135432074
Energy: -1.0660441856359006
Energy: -0.11797726118193272
Energy: -1.0476935733140615
Energy: -1.0106780047403414
Energy: -1.0484067693130439
Energy: -0.45914545282086977
Energy: -0.9918603991741682
Energy: -1.165442162021549
Energy: -0.9566861022858225

minimum gb energy = -1.165442162021549 eV
minimum distance =  2.24555634693269 Angstroms
sigma value = 25


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

Energy: -0.3598530774304902
Energy: -0.8718865231581253
Energy: -1.1405885427650562
Energy: -1.345401077218255
Energy: -0.781072607866624
Energy: -1.1040826180801593
Energy: -1.2389406587800589
Energy: -1.1040824448967805
Energy: -0.5853127307586231
Energy: -1.235091838634154
Energy: -1.125209085118468
Energy: -1.2350918405395344
Energy: -0.6796194562343523
Energy: -0.40634182563714294
Energy: -0.6998675963618095
Energy: -0.4130697199303383
Energy: -0.7570053147014827
Energy: 0.6233374792495723
Energy: -0.8358329127175407
Energy: 0.6233374792477017
Energy: -0.8412948787027325
Energy: -1.219784767826728
Energy: -0.7037098508389549
Energy: -1.2131415351314532
Energy: -0.8818189809195941
Energy: -0.32786000064788
Energy: -0.9429903146239416
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Energy: -0.7476412042302472
Energy: -0.050716184315916193
Energy: -0.7189675823043367
Energy: -0.05071085818574996
Energy: -0.9634807999328366
Energy: 0.3850048222290368
Energy: -1.0486365112088218
Energy: 0.3850048222439597
Energy: -1.1741049011444504
Energy: 0.27061382469859424
Energy: -0.598834661077313
Energy: 0.27061382469952955
Energy: -1.2453980624716383
Energy: -1.3798622882055318
Energy: -0.3691181536668238
Energy: -1.3797620924298504
Energy: -1.1459992061140567
Energy: -0.46645417289368934
Energy: -0.6912168359026489
Energy: -0.4664559266018955
Energy: -0.8119886322392222
Energy: -0.47092381932515315
Energy: -0.8914476611225716
Energy: -0.4709235779237884
Energy: -0.8084683053530154
Energy: -0.5457368586887155
Energy: -0.5174352233058127
Energy: -0.5457368582147086
Energy: -1.0399621523583964
Energy: -0.3849514504170934
Energy: -0.8759217264101862
Energy: -0.3851672640044406
Energy: -1.1203364666321771
Energy: -0.9803144160325266
Energy: -0.4717832183514136
Energy: -0.9646055332128025
Energy: -0.7971395432382435
Energy: -0.37270371200082575
Energy: -0.6523972585268053
Energy: -0.37694439683487707
Energy: -0.9021230185737434
Energy: -0.8575869188828671
Energy: -0.623018340161682
Energy: -0.5219318481419802
Energy: -0.6263786584727132
Energy: -0.1165759560659589
Energy: -0.9527599299994279
Energy: -0.11657707885068054
Energy: -0.6638806613926991
Energy: 0.24224860947651866
Energy: -0.9350502193132232
Energy: 0.24224861084246083
Energy: -0.4937363815113632
Energy: -0.5421235853620482
Energy: -0.8461448854654601
Energy: -0.5403392780272789
Energy: -0.620899922210512
Energy: -1.6059119969000717
Energy: -1.2209892267947597
Energy: -1.667059584514877
Energy: -0.3981886594517293
Energy: -1.1022833770301106
Energy: -0.6446693045370464
Energy: -1.1022890117268977
Energy: -0.4198661195313604
Energy: -1.2411470489514256
Energy: -1.3879088249672284
Energy: -1.2411470517393453
Energy: -0.6664354777816678
Energy: -1.372688137222033
Energy: -1.4425370366498915
Energy: -1.4008197919610017
Energy: -0.285505302245281
Energy: -0.5302593126758658
Energy: -1.3408964886218775
Energy: -0.5302593161734567

minimum gb energy = -1.667059584514877 eV
minimum distance =  2.26186171575346 Angstroms
sigma value = 41


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

Energy: -0.8520227417739326
Energy: -0.676618607475255
Energy: -2.298634130324927
Energy: -1.0164503046698703
Energy: -0.9979941369813632
Energy: -1.7144630057055465
Energy: -1.9870113518519006
Energy: -1.714436963898664
Energy: -1.041998207954032
Energy: -1.9032385188006293
Energy: -1.9313378475040586
Energy: -1.9032366951965545
Energy: -1.1186255228727728
Energy: 0.18445696232089895
Energy: -1.372416205150595
Energy: 0.18445696241748452
Energy: -1.2389522739066607
Energy: -1.6414706999973456
Energy: -1.7629730261894914
Energy: -1.6403573623995302
Energy: -1.231492436864761
Energy: -1.6202168729598634
Energy: -1.5534099710601896
Energy: -1.6015628732464586
Energy: -1.5406658012781704
Energy: 0.5885822763707523
Energy: -1.2979608805546348
Energy: 0.5885822763684517
Energy: -1.315861204981138
Energy: 0.6328007252533903
Energy: -1.386432095005031
Energy: 0.6328007252526233
Energy: -1.709425308477805
Energy: -1.2387865243761405
Energy: -1.2602627115849119
Energy: -1.2381116096810298
Energy: -1.5683201293909792
Energy: 0.40968001063374543
Energy: -1.205341386244801
Energy: 0.40968001063374543
Energy: -1.4491456980707071
Energy: -1.0185210005740417
Energy: -1.3427890726352778
Energy: -1.0289504264135276
Energy: -1.8403786713603727
Energy: -1.5256511730980158
Energy: -1.2469393167452338
Energy: -1.5277891735301452
Energy: -1.5197352035861993
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Energy: -0.9261864078114483
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Energy: -0.8468652424303008
Energy: -1.9942111806434906
Energy: -2.360898400950101
Energy: -2.0571355864072687
Energy: -1.0125185027253747
Energy: -2.0571509225713753
Energy: -1.00677883177194
Energy: -1.6900344603847959
Energy: -0.6600744341620428
Energy: -1.6900344810286236
Energy: -1.1927595468938323
Energy: -2.0323749764338523
Energy: -1.4638224340785284
Energy: -2.0323749750449864
Energy: -1.9736860156295473
Energy: -1.9116988889639661
Energy: -1.0203283964283618
Energy: -1.911699672584659
Energy: -1.989010286019008
Energy: 0.049211482622824085
Energy: 0.10787545976732475
Energy: 0.049211491988555026
Energy: -1.2019207666884897
Energy: 0.032244729392754495
Energy: -0.9014616333642327
Energy: 0.03224472894816818
Energy: -1.6753061527609392
Energy: 0.05741827151489637
Energy: -1.385569892454433
Energy: 0.057418272234599874
Energy: -1.579339533530531
Energy: 0.6526622073187153
Energy: -1.4469146318687236
Energy: 0.652662207320249
Energy: -1.327900250129678
Energy: 0.6601545024356898
Energy: -1.2156370575488866
Energy: 0.6601545024364568
Energy: -1.3308604926010625
Energy: 0.6346300759575964
Energy: -1.3777314263555662
Energy: 0.6346300759560627
Energy: -1.4044107790763554
Energy: -1.3820120174399202
Energy: -1.8001525627648907
Energy: -1.4139784483916618
Energy: -0.7868234001281385
Energy: -0.29060352888999497
Energy: -1.4267187215828978
Energy: -0.2906035288301823
Energy: -1.1957256907545304
Energy: -0.8083579689209147
Energy: -1.2551978116307139
Energy: -0.8132842817157873
Energy: -1.1976494580523986
Energy: 0.4250303631351232
Energy: -1.6187037399818127
Energy: 0.4250303631328227
Energy: 0.020678018942072034
Energy: -1.5819310622314535
Energy: -1.6226546031936775
Energy: -1.5819775181841955
Energy: -0.8482521964245148
Energy: -0.9853280029576845
Energy: -0.8062903822598723
Energy: -0.9853280030542703
Energy: -1.1859494068524714
Energy: -2.0196117007291408
Energy: -1.6279313833419884
Energy: -2.019619766974576
Energy: -0.9986897845067183
Energy: -2.061608594170716
Energy: -1.0881061111727544
Energy: -2.061608603670572

minimum gb energy = -2.360898400950101 eV
minimum distance =  2.23705496776189 Angstroms
sigma value = 15


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

Energy: -1.5511377174324523
Energy: -1.6108705837033006
Energy: -2.1905002121738506
Energy: -2.0154562151850253
Energy: -0.8760640720277715
Energy: -2.6053608192131854
Energy: -2.2397006608194827
Energy: -2.6066638467480825
Energy: -1.4769534073672992
Energy: -1.3794135628327495
Energy: -2.268914096662332
Energy: -1.3794138463863763
Energy: -1.4468146629927146
Energy: -1.9229787704237815
Energy: -1.64453260121888
Energy: -1.8788753797210065
Energy: -1.0457840314993898
Energy: -2.133736037297804
Energy: -2.1330025286551844
Energy: -2.1371223204581558
Energy: -1.5517137516716384
Energy: -2.041557709340787
Energy: -1.0056637574455802
Energy: -2.044427684367782
Energy: -1.87170519391558
Energy: 0.5071904439067426
Energy: -1.633888228099322
Energy: 0.5071904439047938
Energy: -1.608819362729174
Energy: 0.4954224470230281
Energy: -1.874620479458809
Energy: 0.4954224470217289
Energy: -1.8722137008880193
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Energy: -1.6103909004348536
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Energy: -2.1111329514792985
Energy: -2.1954277760642427
Energy: -1.732951752151085
Energy: -2.1850756269360376
Energy: -1.8041117501472115
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Energy: -1.8328543008062943
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Energy: -2.6443825117660533
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Energy: -2.5208976253407376
Energy: -2.3806030575784853
Energy: -2.102892127668931
Energy: -1.4371524029592062
Energy: -1.9196011337676837
Energy: -1.5738177969546752
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Energy: -2.605199721371697
Energy: -2.087849340447705
Energy: -0.7609235261684805
Energy: -1.7675332794565173
Energy: -0.7609272914260167
Energy: -1.7708880270044256
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Energy: -1.724319102893685
Energy: -1.2669607865803745
Energy: -1.7661846867878215
Energy: -1.2390035662979444
Energy: -1.7637476711623827
Energy: -1.39764942930215
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Energy: -1.8412406057047817
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Energy: -1.8635634802418737
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Energy: -1.6506606814771498
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Energy: -1.7195922556090393
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Energy: -2.0999958272298325
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Energy: -1.4988441452790202
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Energy: -2.095881076932108
Energy: -2.3689519139498434
Energy: -1.3979700433288478
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Energy: -1.786666469037255
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Energy: -1.4201022323408548
Energy: -2.4416697806916536
Energy: -2.003726275829948
Energy: -2.627186517025274
Energy: -1.2298064939023403
Energy: -2.2478467908769697
Energy: -1.8195831642552616
Energy: -2.3427777736457305
Energy: -1.2807793173184099
Energy: -2.461345748797456
Energy: -1.324455111174969
Energy: -2.4613452730708283
Energy: -1.1875609966825953
Energy: -2.5817439673033418
Energy: -2.129947267757525
Energy: -2.358735344303833
Energy: -1.320678285775883
Energy: -2.4738994828963903
Energy: -2.159662457417101
Energy: -2.4740152426964217

minimum gb energy = -2.694277664014367 eV
minimum distance =  2.23672049851133 Angstroms
sigma value = 85


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

Energy: -0.1944585822739124
Energy: -0.934543223548603
Energy: -0.9797227843853754
Energy: -1.4502762347732205
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Energy: -0.9590832778047216
Energy: -0.3968420360460921
Energy: -0.4939830758737408
Energy: -0.6667231087605959
Energy: -1.0683287159785861
Energy: -0.6664441560058361
Energy: -0.42711345667108186
Energy: -1.0051850206916384
Energy: -1.3379617555652332
Energy: -1.005160784914601
Energy: -0.028400998964109008
Energy: -1.3630109791401748
Energy: -1.1102122175923965
Energy: -1.3630109791413014
Energy: -0.3904915431827574
Energy: -1.580952694376926
Energy: -1.4909355649948466
Energy: -1.5768007599802734
Energy: -0.36458985917221726
Energy: -1.1870800685627794
Energy: -1.128772852697664
Energy: -1.1870794053426401
Energy: -0.32105365238232975
Energy: -1.3544244055504784
Energy: -1.454466292925183
Energy: -1.3544244109517296

minimum gb energy = -1.580952694376926 eV
minimum distance =  2.22725112610399 Angstroms
sigma value = 113


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

Energy: 0.015996042758632735
Energy: 0.016556869079903034
Energy: 1.2604577306794778
Energy: 0.27372936813503207
Energy: -3.499755552151738
Energy: -4.445295048895346
Energy: -3.2958631617495526
Energy: -2.7667480828611786
Energy: -3.7918748187743323
Energy: -4.14952317393256
Energy: -3.324867602421968
Energy: -4.062043271832075
Energy: 0.017378430017176795
Energy: -1.7167440335898865
Energy: -1.1029352084726243
Energy: -1.7167440061033081
Energy: -4.061537305159421
Energy: -4.427270170869129
Energy: -3.3674367408711996
Energy: -2.774819307530116
Energy: -2.0041710749168087
Energy: -1.7653259879123642
Energy: -3.367708292729421
Energy: -1.7653092830051047

minimum gb energy = -4.445295048895346 eV
minimum distance =  2.40888690517183 Angstroms
sigma value = 1