Model name: model_name=MJ_MorrisAgaLevashov_2008_Fe__MO_857282754307_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=2.8599998205900192
cohesive_energy=1.5373099021567544
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 6.940228634329499e-21, 3.1938910545799796e-20, 5.957693813528999e-20, 8.253725082415379e-20, 1.0061236673828819e-19, 1.1601809616251518e-19, 1.313317004302872e-19, 1.46930812574238e-19, 1.62281266904592e-19, 1.7677295455912198e-19, 1.89960470433576e-19, 2.0158906844314796e-19, 2.1157383322623598e-19, 2.19956421375324e-19, 2.26863404844498e-19, 2.32482238299936e-19, 2.37000376407816e-19, 2.40523562825982e-19, 2.43139917269304e-19, 2.44927946392848e-19, 2.45954941615242e-19, 2.46284990001846e-19, 2.45938919848902e-19, 2.44835020148076e-19, 2.4287075159479196e-19, 2.399259509415e-19, 2.35817970051924e-19, 2.3004212328635397e-19, 2.2190466816226795e-19, 2.1061412942247e-19, 1.9526848162201797e-19, 1.7483592300861598e-19, 1.4814013549758119e-19, 1.138368928929876e-19, 7.039771868599919e-20, 1.6076080127892598e-20, -5.11103959305804e-20, -1.3340988374224858e-19, -2.31975950483592e-19, -3.4605573335429396e-19, -4.7841795379557e-19, -6.354152421612299e-19, -8.2701954582129e-19, -1.0748987015739658e-18, -1.4280376578271739e-18, -1.93055875690464e-18, -2.6160179862288597e-18, -3.5780129025814795e-18, -5.141256644375279e-18, -7.963170349839478e-18, -1.3475715407377919e-17, -2.5404753579357598e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.005358238838591876
Energy: 0.005559203833527649
Energy: 0.07940043199739713
Energy: 0.07940744708340203
Energy: 0.07994211799439169
Energy: 0.07923575716055464
Energy: 0.0797011037462545
Energy: 0.0796354375067152
Energy: 0.07943066965152336
Energy: 0.00552224504525526
Energy: 0.005644533718493236
Energy: 0.07944495322627773
Energy: 0.07950781474586459
Energy: 0.005805366793052512
Energy: 0.006222592771594752
Energy: 0.07934651835370056
Energy: 0.07942902424004182
Energy: 0.07934022305111799
Energy: 0.07919767964105864
Energy: 0.07967305330234029
Energy: 0.07937240687352096
Energy: 0.07926887833913253
Energy: 0.07917693159761068
Energy: 0.005536966500556165
Energy: 0.08006969696307661
Energy: 0.0794652694916928
Energy: 0.005512178799397505
Energy: 0.00536973698226137
Energy: 0.0793985498498841
Energy: 0.07931791810134184
Energy: 0.0062802271624007415
Energy: 0.07940539205924937
Energy: 0.07919452708842933
Energy: 0.07937229373231623
Energy: 0.0793182862466487
Energy: 0.0793021850977694
Energy: 0.00601233955080831
Energy: 0.005716164702006668
Energy: 0.07926833156278047
Energy: 0.00560177016371602
Energy: 0.0054776606970388855
Energy: 0.07954120362805367
Energy: 0.07928967457111166
Energy: 0.005450068636042334
Energy: 0.005454319697530104
Energy: 0.0792494138370426
Energy: 0.07934734919751277
Energy: 0.07937925263599267
Energy: 0.07919698498377359
Energy: 0.005387306304704838
Energy: 0.07931497217269218
Energy: 0.07914516606749984
Energy: 0.07978877003908469
Energy: 0.005642026684481773
Energy: 0.005581257280122696
Energy: 0.07939869284529738
Energy: 0.005419504292203221
Energy: 0.006549058403514437
Energy: 0.07948163733170566
Energy: 0.07938847510123463
Energy: 0.005634422639858966
Energy: 0.07934682727881294
Energy: 0.07917651578268715
Energy: 0.07961940337145791
Energy: 0.0797256523664907
Energy: 0.07970231007427522
Energy: 0.005523806106717808
Energy: 0.005477163618001294
Energy: 0.07933528841618077
Energy: 0.07948853675063909

minimum gb energy = 0.005358238838591876 eV
minimum distance =  2.47589268241683 Angstroms
sigma value = 3


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

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Energy: 1.3473704088295493
Energy: 1.3333064052262253
Energy: 1.2952557374132871
Energy: 1.3040971778491233
Energy: 1.329831207180616
Energy: 1.2951127619636356
Energy: 1.3597084392216603
Energy: 1.3684487129805272
Energy: 1.282360709190425
Energy: 1.3069992011867955
Energy: 1.2994599020068573
Energy: 1.3300811532998529
Energy: 1.3802094742477964
Energy: 1.314383707692228
Energy: 1.4046136826561593
Energy: 1.3425393044372418
Energy: 1.3215722509029977
Energy: 1.2874988663020825
Energy: 1.2979674473399192
Energy: 1.3890474670798347
Energy: 1.2455582438460922
Energy: 1.2980719886179213
Energy: 1.3377617031732307
Energy: 1.29805020049964
Energy: 1.2970969640292314
Energy: 1.4765108237759708
Energy: 1.2505594265307192
Energy: 1.297039515257681
Energy: 1.3924380069363902
Energy: 1.482779151749909
Energy: 1.3096768671519714
Energy: 1.3028232623532863
Energy: 1.3278356471668975
Energy: 1.2655502702188701
Energy: 1.293640354759296
Energy: 1.2919011155820268
Energy: 1.3156166414376873
Energy: 1.3051804287070725
Energy: 1.4390688557397304
Energy: 1.4831345353219505
Energy: 1.4338976917360202
Energy: 1.4580937620035173
Energy: 1.299340190953886
Energy: 1.302208358706803
Energy: 1.2970714152668574
Energy: 1.3549920858601776
Energy: 1.2419690699964203
Energy: 1.258505813233374
Energy: 1.2458615599170058
Energy: 1.293561237644383
Energy: 1.28090226583125
Energy: 1.2986841945470327
Energy: 1.265058182486984
Energy: 1.4858687326596034
Energy: 1.3279571854047014
Energy: 1.3864489259403403
Energy: 1.27786790872097
Energy: 1.292203701860247
Energy: 1.2538514531478546
Energy: 1.2926645082237331
Energy: 1.2949778451221017
Energy: 1.2714384857600507
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Energy: 1.274905885148014
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Energy: 1.292861031956658
Energy: 1.3865995046583128
Energy: 1.2936850981806165
Energy: 1.288450989250528
Energy: 1.3343150798593657
Energy: 1.2588395861462633
Energy: 1.2628765646414004
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Energy: 1.2260869080790093
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Energy: 1.2265081117663628
Energy: 1.3145978502996596
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Energy: 1.2729030194031057
Energy: 1.3037964315274082
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Energy: 1.2762462147172464
Energy: 1.2544670358752956
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Energy: 1.3271144174674743
Energy: 1.28146805323173
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Energy: 1.291753403771524
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Energy: 1.3607772802925473
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Energy: 1.3329635445194157
Energy: 1.367007974264986
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Energy: 1.3323566656013957
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Energy: 1.3285591758390936
Energy: 1.3350747600847277
Energy: 1.3033073762867007
Energy: 1.2372044215549183
Energy: 1.2417698476872072
Energy: 1.5065542577300715
Energy: 1.297730741915184
Energy: 1.2966693294145644
Energy: 1.3374890320230388
Energy: 1.43675770446717
Energy: 1.3479822757116282
Energy: 1.3412654715223709
Energy: 1.3022847026748292
Energy: 1.3157998304808807
Energy: 1.2641426486443357
Energy: 1.298230411621398
Energy: 1.3017645002826141
Energy: 1.3199409761548029
Energy: 1.2966233704450478
Energy: 1.2875915421108715
Energy: 1.3095422048597658
Energy: 1.3553269876554461
Energy: 1.2755004373871905
Energy: 1.2571187229335115
Energy: 1.5306774307071447
Energy: 1.345281598532242
Energy: 1.2943099218920913
Energy: 1.3225995548489513
Energy: 1.2535272286960157
Energy: 1.2941789421840253
Energy: 1.3268175808196463
Energy: 1.3355373757797588
Energy: 1.2893676837340635
Energy: 1.3000815681218034
Energy: 1.3498998414542613
Energy: 1.306966674350184
Energy: 1.32221106037993
Energy: 1.2540764893244396
Energy: 1.3434800671260103
Energy: 1.2880139584739811
Energy: 1.3202632755894381
Energy: 1.4020220683485958
Energy: 1.3010388932100974
Energy: 1.3113435826696902
Energy: 1.290776933880524
Energy: 1.2421761774268356
Energy: 1.2963039071346178
Energy: 1.3048136957770997
Energy: 1.3381012367799812
Energy: 1.2906745301781326
Energy: 1.304143673414805
Energy: 1.4831001822596661
Energy: 1.420760286847861
Energy: 1.4909811259866128
Energy: 1.3447914215118666
Energy: 1.2448700530933317
Energy: 1.3054830821847574
Energy: 1.3338476299920432
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Energy: 1.2872743095683823
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Energy: 1.2743355191163739
Energy: 1.2715803885596282
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Energy: 1.3069743651716765
Energy: 1.2603945873817224
Energy: 1.2911060576306193
Energy: 1.408404832696722
Energy: 1.294518397655598
Energy: 1.2878428771385435
Energy: 1.2831174977817195
Energy: 1.2992675470563195
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Energy: 1.2076108865842086
Energy: 1.370278600745611
Energy: 1.3012338164532364
Energy: 1.222296639312138
Energy: 1.3489233434313657
Energy: 1.4229677497320055
Energy: 1.2639523748766777
Energy: 1.327026461306186
Energy: 1.2156960230767775
Energy: 1.2599502297060527
Energy: 1.2727159137005664
Energy: 1.2954963319405262
Energy: 1.2663015061549567
Energy: 1.2701084979924473
Energy: 1.327074700038126
Energy: 1.316021448452898
Energy: 1.2374527735365595
Energy: 1.3721010023885387
Energy: 1.3628159876810435
Energy: 1.2567129271222872
Energy: 1.2815448348021554
Energy: 1.2540115614462122
Energy: 1.2400383856915025
Energy: 1.257757565601366
Energy: 1.2816239924101225
Energy: 1.2271912683497233
Energy: 1.329823273316537
Energy: 1.2377716769172735
Energy: 1.4469419321263672
Energy: 1.2125478397740714
Energy: 1.2724759359673707
Energy: 1.2937342190327061
Energy: 1.2706040848539653
Energy: 1.213368049277866
Energy: 1.3050517313975256
Energy: 1.239457108584012
Energy: 1.283376404682084
Energy: 1.2911486207554184
Energy: 1.2878903061060736
Energy: 1.400232402167892
Energy: 1.289379838363368
Energy: 1.4010249341953231
Energy: 1.4624883440812593
Energy: 1.3033061842959806
Energy: 1.296451207888
Energy: 1.3079946084324066
Energy: 1.244146043572553
Energy: 1.2899866349574396
Energy: 1.2952077488886533
Energy: 1.347469538871896
Energy: 1.305314914374162
Energy: 1.3152276498794218
Energy: 1.334999829893865
Energy: 1.4600459524081517
Energy: 1.2975785413828984
Energy: 1.3326075303367322
Energy: 1.328564689188073
Energy: 1.2997689882806525
Energy: 1.3119726850217404
Energy: 1.2923050486873
Energy: 1.2992921235827788
Energy: 1.2563721730530932
Energy: 1.3982238015800632
Energy: 1.2943302297897037
Energy: 1.3023083192191018
Energy: 1.265860707069164
Energy: 1.4785869712814768
Energy: 1.3051085669000007
Energy: 1.5001590010061003
Energy: 1.3559542901348554
Energy: 1.302081155887426
Energy: 1.3249190469800132
Energy: 1.5090725613308382
Energy: 1.344019719233169
Energy: 1.3440839505090847
Energy: 1.3073788084482647
Energy: 1.3229171857238673
Energy: 1.3111157735311105
Energy: 1.2989521052773714
Energy: 1.3969053126770135
Energy: 1.326301818580519
Energy: 1.4523595266119487

minimum gb energy = 1.2076108865842086 eV
minimum distance =  2.26819534082861 Angstroms
sigma value = 75


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

Energy: 1.708465075917193
Energy: 1.3343026815991943
Energy: 1.417870487143077
Energy: 1.33473109001164
Energy: 1.4693805659574426
Energy: 1.2707686516523269
Energy: 1.283336817876984
Energy: 1.384475999353682
Energy: 1.4568712940029191
Energy: 1.3322599916530145
Energy: 1.3004694949271125
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Energy: 1.3031732787302686
Energy: 1.5438236905508933
Energy: 1.3140258380490415
Energy: 1.5240511483457457
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Energy: 1.372754851510088
Energy: 1.271961596205972
Energy: 1.4613254496355568
Energy: 1.4565636691255162
Energy: 1.2994771140057475
Energy: 1.2863698098748504
Energy: 1.315775749990215
Energy: 1.471581541332747
Energy: 1.6577855463202058
Energy: 1.4628507136237892
Energy: 1.2144556848281542
Energy: 1.4223100934428896
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Energy: 1.4310280344063544
Energy: 1.2859919122456236
Energy: 1.4197085512467666
Energy: 1.3667334218888623
Energy: 1.3419086464731131
Energy: 1.271757361744525
Energy: 1.282958981985992
Energy: 1.5273833061142854
Energy: 1.5726599383168387
Energy: 1.4488226605267578
Energy: 1.4276371216285717
Energy: 1.4310602920064563
Energy: 1.4179953300086803
Energy: 1.3417705565061109
Energy: 1.3155384704572133
Energy: 1.3155787502101974
Energy: 1.2830893652756232
Energy: 1.3494212847477272
Energy: 1.3106464571831946
Energy: 1.3046389617698975
Energy: 1.228272487067435
Energy: 1.4166662506901033
Energy: 1.2986324173148631
Energy: 1.2948692041755079
Energy: 1.28599821127603
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Energy: 1.2971658801641879
Energy: 1.4013370724765806
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Energy: 1.5216813511110052
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Energy: 1.3483767712696257
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Energy: 1.3191975951150363
Energy: 1.4471145405215005
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Energy: 1.4310049355951056
Energy: 1.3540577480726868
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Energy: 1.2799812564113133
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Energy: 1.326390431019416
Energy: 1.2417995210567845
Energy: 1.4377849835264607
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Energy: 1.301014740227647
Energy: 1.3161226735628322
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Energy: 1.330639414988569
Energy: 1.3344705551254417
Energy: 1.3624262703863899
Energy: 1.3574715188333664
Energy: 1.2424597520580096
Energy: 1.3687930222397517
Energy: 1.4150345313126194
Energy: 1.2620744120025138
Energy: 1.410277096466229
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Energy: 1.361292542563803
Energy: 1.2924645663925367
Energy: 1.3105891586155094
Energy: 1.3373192524051727
Energy: 1.3667859383022796
Energy: 1.3142212471340151
Energy: 1.2846892740427271
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Energy: 1.3989754100771243
Energy: 1.2553219453693238
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Energy: 1.3668127255363194
Energy: 1.4219640502111683
Energy: 1.2995409679299295
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Energy: 1.303905012807914
Energy: 1.3772900456939494
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Energy: 1.4920674844828326
Energy: 1.5133504097433983
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Energy: 1.3602133093895188
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Energy: 1.5134505946205232
Energy: 1.4227029877226376
Energy: 1.488362715167599
Energy: 1.6078830320119575
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minimum gb energy = 1.2144556848281542 eV
minimum distance =  2.29766757833199 Angstroms
sigma value = 105


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

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Energy: 1.5559405027451343
Energy: 1.3937876815668593
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Energy: 1.2893079979611073
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Energy: 1.3842491373617083
Energy: 1.4428921735704558
Energy: 1.3648562716602741
Energy: 1.3989122042039133
Energy: 1.2835374935761388
Energy: 1.4406066847603216
Energy: 1.3884272357527858
Energy: 1.4840230756913786
Energy: 1.4258001866288434
Energy: 1.4803958669204818
Energy: 1.4396653137848454
Energy: 1.4388956336370111
Energy: 1.3465150313574106
Energy: 1.317145825883429
Energy: 1.2706123256691717
Energy: 1.3330718091838116
Energy: 1.395873109602713
Energy: 1.3465449084390957
Energy: 1.4845006909027538
Energy: 1.428464012212004
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Energy: 1.3215733551065605
Energy: 1.415772966932057
Energy: 1.31136198320109
Energy: 1.2920727573441135
Energy: 1.3261897166438574
Energy: 1.3333879133076794
Energy: 1.3487680383234473
Energy: 1.2941023095048805
Energy: 1.3344873731636688
Energy: 1.3673999979983975
Energy: 1.2920117273038478
Energy: 1.397996986796356
Energy: 1.3443506392884723
Energy: 1.2794383688399928
Energy: 1.3039631290844338
Energy: 1.2881361318751117
Energy: 1.379917404721053
Energy: 1.3965902142554436
Energy: 1.3865867246246752
Energy: 1.3580536465165975
Energy: 1.4428236393327616
Energy: 1.4810248476680576
Energy: 1.488635910405162
Energy: 1.2780988895135894
Energy: 1.2680492523383933
Energy: 1.3250953583325908
Energy: 1.406586430952901
Energy: 1.4146767380586613
Energy: 1.2991561488779464
Energy: 1.308997702563327
Energy: 1.4045447770438124
Energy: 1.4978076832496507
Energy: 1.53799728766741
Energy: 1.4261989346033932
Energy: 1.5454988438092494
Energy: 1.3014611399305482
Energy: 1.5351747707682664
Energy: 1.3921834890916787
Energy: 1.343068957255162
Energy: 1.3609974372445255
Energy: 1.4205465851683399
Energy: 1.4383839954711675
Energy: 1.4264218704774785
Energy: 1.5374614037751564
Energy: 1.522269068806478
Energy: 1.5105634812042952

minimum gb energy = 1.247489663082263 eV
minimum distance =  2.271363171491 Angstroms
sigma value = 165


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

Energy: 1.6866505986491143
Energy: 1.1887283259014487
Energy: 1.4925574277036242
Energy: 1.2565739136217384
Energy: 1.3057930515143206
Energy: 1.305649553465892
Energy: 1.235393153896848
Energy: 1.538295822781135
Energy: 1.4608724557858093
Energy: 1.1889637096019003
Energy: 1.2246672511086956
Energy: 1.478572549447507
Energy: 1.461152841923941
Energy: 1.5357279624616431
Energy: 1.3957664478692293
Energy: 1.4597669962687156
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Energy: 1.2230244354448836
Energy: 1.3298526076749706
Energy: 1.3110776942249687
Energy: 1.2407201433745156
Energy: 1.3058731227358382
Energy: 1.3534007632754392
Energy: 1.4942585833771842
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Energy: 1.3361763102319002
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Energy: 1.476263247254833
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Energy: 1.3885151738663861
Energy: 1.37001871226017
Energy: 1.4146262108900718
Energy: 1.5439690439467046
Energy: 1.2231094721043754
Energy: 1.2710548915881634
Energy: 1.5458615561693718
Energy: 1.5236512566592841
Energy: 1.3389460253039407
Energy: 1.3308989301477732
Energy: 1.3809163014879104
Energy: 1.306037722813229
Energy: 1.3009190148327892
Energy: 1.2435037379111618
Energy: 1.2385148346828194
Energy: 1.2396549807496275
Energy: 1.2560839654830225
Energy: 1.3999633733244672
Energy: 1.3985090467659647
Energy: 1.3363422305775394
Energy: 1.2777595253361096
Energy: 1.2789147073458247
Energy: 1.242385793756083
Energy: 1.2552695430059528
Energy: 1.2367045731810258
Energy: 1.2357289253120443
Energy: 1.2296784405324972
Energy: 1.2803506512737513
Energy: 1.2554444262725697
Energy: 1.258218379487705
Energy: 1.2819814020628109
Energy: 1.2902406546968603
Energy: 1.237203806355416
Energy: 1.2639137405506549
Energy: 1.2766993248268574
Energy: 1.3293350691454562
Energy: 1.3243206088987387
Energy: 1.2785819641382499
Energy: 1.3107620614994109
Energy: 1.4931709116367087
Energy: 1.2583580561419685
Energy: 1.238601478206176
Energy: 1.2233928613585976
Energy: 1.2435335318470628
Energy: 1.2246754808765827
Energy: 1.329481047639131
Energy: 1.240563119653563
Energy: 1.2559547829996778
Energy: 1.3245777321795218
Energy: 1.2796259347932175
Energy: 1.4811067364324002
Energy: 1.3503155271578884
Energy: 1.3837869351456644
Energy: 1.4913253321946605

minimum gb energy = 1.1887283259014487 eV
minimum distance =  2.27365399091037 Angstroms
sigma value = 41


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

Energy: 2.2387242856050404
Energy: 1.4876226191879611
Energy: 1.3387236271612242
Energy: 1.2875350470960434
Energy: 1.293898262166231
Energy: 1.3357196538600935
Energy: 1.4082066214688316
Energy: 1.4150304470784445
Energy: 1.354796180566745
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Energy: 1.167428167388662
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Energy: 1.2504389945472465
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Energy: 1.5212866185214848
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Energy: 1.1288496733565279
Energy: 1.2652300507163852
Energy: 1.337970727509507
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Energy: 1.3579298285800139
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Energy: 1.2272918481509347
Energy: 1.1055632845938512
Energy: 1.2602602669918015
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Energy: 1.2725341729773523
Energy: 1.2845015038639283
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Energy: 1.1205339326780488
Energy: 1.0697057081286596
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Energy: 1.1481318968015
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Energy: 1.2516422941538898
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Energy: 1.1521051782892282
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Energy: 1.3954413397744077
Energy: 1.2351001207796368
Energy: 1.3460167165510266
Energy: 1.2226844163680608
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Energy: 1.2276082073018866
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Energy: 1.2864928600685561
Energy: 1.2774542365000288
Energy: 1.3841432945922996
Energy: 1.412007340301446
Energy: 1.3593103444318326
Energy: 1.3497391921774353
Energy: 1.5863036652558578
Energy: 1.1462694991339843
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Energy: 1.3157304873415288
Energy: 1.3065008314351514
Energy: 1.3779520969447532
Energy: 1.572205802398175
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Energy: 1.328224908634666
Energy: 1.3328198724050708
Energy: 1.1787409783570986
Energy: 1.166983486325883
Energy: 1.3785994943908417
Energy: 1.5801576769160592
Energy: 1.5514080682389533
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Energy: 1.5967843410125608
Energy: 1.4751441482800494
Energy: 1.3619419458905444
Energy: 1.1780532851379324
Energy: 1.2086852940811865
Energy: 1.2040658236124455
Energy: 1.4523722062720912
Energy: 1.335231372751691
Energy: 1.339719021294904
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Energy: 1.3170563749961175
Energy: 1.4747720861428504
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Energy: 1.2257303999495242
Energy: 1.131238400109906
Energy: 1.284159530468429
Energy: 1.2461620958635529
Energy: 1.1156985002986242
Energy: 1.2144119832080653
Energy: 1.3038323119030357
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Energy: 1.106183652697272
Energy: 1.247614492194601
Energy: 1.2473580976915253
Energy: 1.2686494101486863
Energy: 1.295366832355315
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Energy: 1.3444565549955045
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Energy: 1.2042198363372223
Energy: 1.151705004314716
Energy: 1.0695132746594123
Energy: 1.1155565688299
Energy: 1.1024269538025546
Energy: 1.3676524934586007
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Energy: 1.3593699254137759
Energy: 1.4284138837225626
Energy: 1.1422531826347122
Energy: 1.107702084233164
Energy: 1.0699070875436603
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Energy: 1.517380658837052
Energy: 1.2077412502089921
Energy: 1.4246323021697889
Energy: 1.3772417327652038
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Energy: 1.070177047981643
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Energy: 1.2795531697931686
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Energy: 1.3535191159466875
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Energy: 1.1391938438029123
Energy: 1.2063108858882168
Energy: 1.1024066258175504
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Energy: 1.252022400463352
Energy: 1.319503245084312
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Energy: 1.4934352094259074
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Energy: 1.295337441601535
Energy: 1.5888713972055308
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Energy: 1.138224698202363
Energy: 1.2971871511761828
Energy: 1.5367656266694283
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Energy: 1.2293553016955205
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Energy: 1.3983066072893424
Energy: 1.1607873213836415
Energy: 1.0700092922239874
Energy: 1.2235646998596579
Energy: 1.1423348013198225
Energy: 1.3359490785201584
Energy: 1.2174859918770229
Energy: 1.2888970162590283
Energy: 1.2944779971811566
Energy: 1.548271172022093
Energy: 1.1865200105926779
Energy: 1.4214909554295927
Energy: 1.174725508680515
Energy: 1.2482101646532116
Energy: 1.437423352983184
Energy: 1.2278948530979064
Energy: 1.249936795201891
Energy: 1.1788375972634497
Energy: 1.2143949456283942
Energy: 1.1525006310853945
Energy: 1.398902399195407
Energy: 1.3770532170164183
Energy: 1.2076860899945892
Energy: 1.2553835583564077
Energy: 1.2328703329682689
Energy: 1.2353954024287792
Energy: 1.188198139141065
Energy: 1.1783270481499994
Energy: 1.2048904855126406
Energy: 1.2981193812322465
Energy: 1.436666310392979
Energy: 1.5322523359076086
Energy: 1.359335107000741
Energy: 1.3759920282456197
Energy: 1.2166577746457283
Energy: 1.2039104956022704
Energy: 1.1787791741310585
Energy: 1.1782779879475827
Energy: 1.2867709895198431
Energy: 1.2043334218092714
Energy: 1.395318374533279
Energy: 1.359195647163081
Energy: 1.3614899701957814
Energy: 1.3428056345868191
Energy: 1.4365217508120138
Energy: 1.1666937178956225
Energy: 1.178374330930827
Energy: 1.3251232205333752
Energy: 1.3045743523100954
Energy: 1.328800418512779
Energy: 1.3948380149012811
Energy: 1.366036464593901
Energy: 1.3599153143757892
Energy: 1.586654394510161
Energy: 1.3566597688458333

minimum gb energy = 1.0695132746594123 eV
minimum distance =  2.2719479806773 Angstroms
sigma value = 185


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

Energy: 2.2727094802396275
Energy: 1.199171555396134
Energy: 1.2159548403023797
Energy: 1.3012116748537044
Energy: 1.1856301211526767
Energy: 1.4665692054563348
Energy: 1.467395788088097
Energy: 1.3653319919164157
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Energy: 1.3770388155622968
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Energy: 1.2999774373492525
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Energy: 1.12528732908901
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Energy: 1.2981897935550941
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Energy: 1.361679607074876
Energy: 1.2792831046816753
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Energy: 1.269006036665805
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Energy: 1.3161201718793525
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Energy: 1.530081949889551
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Energy: 1.1538934790788211
Energy: 1.1664960623375995
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Energy: 1.500045607353572
Energy: 1.1583572123153747
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Energy: 1.469288358858664
Energy: 1.2015827148468825
Energy: 1.1807516538315235
Energy: 1.170837793257709
Energy: 1.299889475377208
Energy: 1.5458845979136382
Energy: 1.1668178004681313
Energy: 1.2487097170661685
Energy: 1.2161065705647718
Energy: 1.362178909183442
Energy: 1.1668660481811413
Energy: 1.4337686528765636
Energy: 1.202407149319501
Energy: 1.1711776120612107
Energy: 1.441191180575134
Energy: 1.3746223204407957
Energy: 1.1664627464174644
Energy: 1.4871684406325292
Energy: 1.4708898838297977
Energy: 1.4697599199008171
Energy: 1.1585454864751388
Energy: 1.3008629502811249
Energy: 1.9148787605441928
Energy: 1.2036028338508764
Energy: 1.4645735556698511
Energy: 1.490026643870328
Energy: 1.5330206764407721
Energy: 1.1238514658838246
Energy: 1.1849159278349757
Energy: 1.396497748910241
Energy: 1.1698998898330433
Energy: 1.1880762227325337
Energy: 1.264352334525172
Energy: 1.1683989436331326
Energy: 1.1263145650954363
Energy: 1.6671654941646066
Energy: 1.1250031819476196
Energy: 1.1239196622432714
Energy: 1.1966829664233876
Energy: 1.2126211954164516
Energy: 1.2198961224515223
Energy: 1.1943509896695723
Energy: 1.1970931865007768
Energy: 1.4073734171674932
Energy: 1.444216821299884
Energy: 1.512364275865958
Energy: 1.1309250150141514
Energy: 1.207981447840264
Energy: 1.1609039461863215
Energy: 1.1943481900889557
Energy: 1.2268714921896793
Energy: 1.222876026873485
Energy: 1.3532013294728222
Energy: 1.1645037513499517
Energy: 1.3793257805335568
Energy: 1.4045276736054997
Energy: 1.3976078177466031
Energy: 1.3768910461044739
Energy: 1.4632070378189879
Energy: 1.4691860772289589
Energy: 1.1724728426124358
Energy: 1.1648278676883652
Energy: 1.1648140652376398
Energy: 1.11743732623923
Energy: 1.1641648097527861
Energy: 1.3524832297376008
Energy: 1.1008905544324366

minimum gb energy = 1.1004553800978458 eV
minimum distance =  2.27370274914376 Angstroms
sigma value = 33


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

Energy: 1.9484770530807454
Energy: 1.435354397462273
Energy: 1.289489270693685
Energy: 1.1716198353118619
Energy: 1.3280598578166873
Energy: 1.3382723058155874
Energy: 1.4715392360851984
Energy: 1.5405742982612427
Energy: 1.2891274253918292
Energy: 1.4348955416271658
Energy: 1.1353712347515328
Energy: 1.4105923184817535
Energy: 1.4081772394454708
Energy: 1.362242862959914
Energy: 1.362220666784599
Energy: 1.4081599785767505
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Energy: 1.5190791081087989
Energy: 1.338353219016846
Energy: 1.313011290037716
Energy: 1.2928415167979752
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Energy: 1.1824754706288445
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Energy: 1.3637605785662907
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Energy: 1.1354889890301116
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Energy: 1.338393593318389
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Energy: 1.3038310815665375
Energy: 1.5291545010961203
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Energy: 1.2892192328202705
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Energy: 1.3278799775686803
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Energy: 1.4713286484300916
Energy: 1.4777171379605833
Energy: 1.1826928610055116
Energy: 1.1826614443960446
Energy: 1.2452406941723058
Energy: 1.4852349473301094
Energy: 1.4081892704603314
Energy: 1.3654066753978489
Energy: 1.3619606655472183
Energy: 1.4724721791847344
Energy: 1.363818789520725
Energy: 1.4010916066264074
Energy: 1.1828261025148474
Energy: 1.1826796030199282
Energy: 1.1829998683861114
Energy: 1.182963203503061
Energy: 1.4998230796812704
Energy: 1.3277409630021877
Energy: 1.1716263925093078
Energy: 1.2894093407300735
Energy: 1.1826428905008035
Energy: 1.5276292060727272
Energy: 1.1828526091437555
Energy: 1.1830509284536217
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Energy: 1.540605797348525
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Energy: 1.3392354092678036
Energy: 1.5894114470617238
Energy: 1.5402535038964307
Energy: 1.400934244320989
Energy: 1.4372295962532597

minimum gb energy = 1.1353712347515328 eV
minimum distance =  2.30109348496285 Angstroms
sigma value = 219


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

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Energy: 1.1807037654590142
Energy: 1.212044008968182
Energy: 1.185565335893799
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Energy: 1.1729458273508133
Energy: 1.0570968693478102
Energy: 1.0569359422882787
Energy: 1.2542170471805074
Energy: 1.1829215558470794

minimum gb energy = 1.0569359422882787 eV
minimum distance =  2.32039856644985 Angstroms
sigma value = 15


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

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Energy: 1.3511784843092827
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minimum gb energy = 1.249378610407803 eV
minimum distance =  2.28894828358571 Angstroms
sigma value = 293


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

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Energy: 1.3922936806951558
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Energy: 1.7269450335782563
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Energy: 1.360914108414127
Energy: 1.3630937743220324
Energy: 1.332698067969687
Energy: 1.256657180566041
Energy: 1.500776376834316
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Energy: 1.292332756499829
Energy: 1.3612765028009948
Energy: 1.5216587852011505
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Energy: 1.3597291241936573
Energy: 1.3764909274885297
Energy: 1.2575779802657854
Energy: 1.3608022063786918
Energy: 1.6906523040358263
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Energy: 1.3912567276674863
Energy: 1.2464278718272725
Energy: 1.2450465716579402
Energy: 1.3577116828684475
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Energy: 1.5043025669357788
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Energy: 1.4375933612051928
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Energy: 1.2864976248837108
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Energy: 1.2360359089457542
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Energy: 1.345858450138323
Energy: 1.5762150922460645
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Energy: 1.667156176590426
Energy: 1.370032506615768
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Energy: 1.3503021085005857
Energy: 1.2345477799462237
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Energy: 1.3990408545040351
Energy: 1.4596899331579358
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Energy: 1.3331301243034914
Energy: 1.282932039029424
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Energy: 1.2286851888660701
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Energy: 1.4105146535232318
Energy: 1.3455197762021396
Energy: 1.3614493935581413
Energy: 1.3751239476626045
Energy: 1.4516513112868679
Energy: 1.3678162386696096
Energy: 1.3542311228834147
Energy: 1.4229502108540497
Energy: 1.3489717298456203
Energy: 1.3164588102138657
Energy: 1.335812818020227
Energy: 1.3616575608299495
Energy: 1.44386630858711
Energy: 1.534821195203797
Energy: 1.2954755566649014
Energy: 1.369625188706294
Energy: 1.4221213462497004
Energy: 1.4467220848889657
Energy: 1.3382064301784335
Energy: 1.355824607360969
Energy: 1.330894130164523
Energy: 1.3338708260336012
Energy: 1.4429759757248644
Energy: 1.441179278623704
Energy: 1.295208802312489
Energy: 1.3469762667970253
Energy: 1.2905216545039535
Energy: 1.446850459567362
Energy: 1.420730873721868
Energy: 1.3336366235425097
Energy: 1.3318778139614018
Energy: 1.340540683490136
Energy: 1.3968935442084136
Energy: 1.462672553801605
Energy: 1.3142547790868961
Energy: 1.5932969167553512
Energy: 1.4918121971961233
Energy: 1.44419239899868
Energy: 1.3317712962660966
Energy: 1.4001119257434844
Energy: 1.4156065611437172
Energy: 1.3939862494069863
Energy: 1.3801431732866918
Energy: 1.3523435043047722
Energy: 1.2641227070359344
Energy: 1.3619400851737882
Energy: 1.5276008010304651
Energy: 1.442586838180236
Energy: 1.4916491511661287
Energy: 1.5234805128887834
Energy: 1.5267012296718874
Energy: 1.4151655118063586
Energy: 1.2309668234440696
Energy: 1.3693103860708362
Energy: 1.293648510683697
Energy: 1.3219173751392426
Energy: 1.2891894664098404
Energy: 1.4438197795203995
Energy: 1.5347934549795204
Energy: 1.54544987229509
Energy: 1.395068519473548
Energy: 1.4171514136891004
Energy: 1.2301330270707156
Energy: 1.2331112164179905
Energy: 1.2845967622718977
Energy: 1.456764572509028
Energy: 1.4198443027460632
Energy: 1.4440107313610844
Energy: 1.4532839969043223
Energy: 1.3127067425554886
Energy: 1.2307259628503906
Energy: 1.2355586696724141
Energy: 1.2378867291815472
Energy: 1.293815802824865
Energy: 1.359697388902004
Energy: 1.6691340589636632
Energy: 1.4513902223495858
Energy: 1.2880752243265805
Energy: 1.4933488890416073

minimum gb energy = 1.2030670314977505 eV
minimum distance =  2.31161735055805 Angstroms
sigma value = 293


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

Energy: 1.4810611537125482
Energy: 1.3528210030733443
Energy: 1.1913932491443162
Energy: 1.5800838430866457
Energy: 1.0915476541876366
Energy: 1.283050134940065
Energy: 1.0930374847676079
Energy: 1.1967719055676138
Energy: 1.2424795001941051
Energy: 1.3529716309970974
Energy: 1.1640096721174855
Energy: 1.256294443194859
Energy: 1.1894143463374471
Energy: 1.2334518854749648
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Energy: 1.0907101729197284
Energy: 1.1977650786750755
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Energy: 1.2831594718469668
Energy: 1.0892368646768935
Energy: 1.3141237256919227
Energy: 1.3609388798021038
Energy: 1.0752806035350986
Energy: 1.1910497511024416
Energy: 1.4870509433814618
Energy: 1.190462973928525
Energy: 1.201518735556857
Energy: 1.180716864424319
Energy: 1.1974505216990003
Energy: 1.1907115971433055
Energy: 1.088778093924941
Energy: 1.3148781780560082
Energy: 1.3532688803516235
Energy: 1.2498632264063945
Energy: 1.442561142582463
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Energy: 1.0897227619667678
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Energy: 0.9931396365839383
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Energy: 1.2334691806823528
Energy: 1.3532651254339345
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Energy: 1.3376147099341342
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Energy: 1.2015407722940583
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Energy: 1.1905755108779823
Energy: 1.3150015801395305
Energy: 1.1983694920097037
Energy: 1.0898060779783991
Energy: 1.3719965519366184
Energy: 1.197927883034072
Energy: 1.190073696050631
Energy: 1.0912543209273033
Energy: 1.0898298847408396
Energy: 0.9934594310863218
Energy: 1.0899658344334036
Energy: 1.0911416793154431
Energy: 0.9765588172502652
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Energy: 1.1901332810437137
Energy: 1.6339158684568504
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Energy: 1.2163469270320826
Energy: 1.198146039009096
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Energy: 1.2815501349183707
Energy: 1.0112383106737879
Energy: 1.2009354522718867
Energy: 1.0888375031932502
Energy: 1.1905079758074082
Energy: 1.24978797327236
Energy: 1.0890416802065324
Energy: 1.1981889255674054
Energy: 1.215917922375681
Energy: 1.0925633648123771
Energy: 1.2567072402545445
Energy: 1.1905445789430689
Energy: 1.338410731175017
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Energy: 1.1984291181842175
Energy: 0.9936124149412485
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Energy: 1.0884252007192876
Energy: 0.976931425867545
Energy: 1.1904007000352919
Energy: 1.2468362831375974
Energy: 1.1923917120378213
Energy: 1.091966517634203
Energy: 1.2830523438196335
Energy: 1.0930245150154212
Energy: 1.1974439075146142
Energy: 1.2564309871867008
Energy: 1.3533226678198738
Energy: 1.3536078279618264
Energy: 1.1892438659391802
Energy: 1.1908507178830416
Energy: 1.5803927636840178
Energy: 1.1902910546229222
Energy: 1.090440524346465
Energy: 1.0917508416373223
Energy: 1.2139337716194356
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Energy: 1.0893522681844077
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Energy: 1.1930626970523204
Energy: 1.2497191877968459
Energy: 1.2335015124457518
Energy: 1.0746526852619043
Energy: 1.190964202281364
Energy: 1.355319803545496
Energy: 1.1951337861146303
Energy: 1.1972326144209582
Energy: 1.0922661910637814
Energy: 1.314680999669606
Energy: 1.360870829310409
Energy: 1.0896883213243915
Energy: 1.1912512514604605
Energy: 1.1762945154957223
Energy: 1.1911274232170508
Energy: 1.0892142452543072
Energy: 1.0930210013618826
Energy: 0.9937215928470756
Energy: 1.214547089005371
Energy: 1.089076444865881
Energy: 1.314850572905364
Energy: 1.3530334335312235
Energy: 1.249838651847523
Energy: 1.4422807705219645
Energy: 1.2177858500690146
Energy: 1.2501786190633533
Energy: 1.2570208410202695
Energy: 1.1811340804646229
Energy: 1.1972076616901237
Energy: 1.2326824470833426
Energy: 1.3530456405159037
Energy: 0.9769786810141017
Energy: 1.0911436533418017
Energy: 1.0773349396227885
Energy: 1.499446588069602
Energy: 1.190842750791322
Energy: 1.1903100736352525
Energy: 1.2165424787920418
Energy: 1.2150864302295385
Energy: 1.2563418166180909
Energy: 1.091290734063363
Energy: 1.3383105167103595
Energy: 1.364032291919018
Energy: 1.1912807797539602
Energy: 1.1918754805421439
Energy: 1.1898994126001496
Energy: 1.1895245585701877
Energy: 1.0921493089255518
Energy: 1.0901367890898253
Energy: 1.1977555173053718
Energy: 1.2040949937991168
Energy: 1.3153640295602511
Energy: 1.1984687491680839
Energy: 1.0903160600969057
Energy: 1.1899063857681533
Energy: 1.5802071483145312
Energy: 1.0750457551642325
Energy: 1.2481063941599924
Energy: 1.2164162068283344
Energy: 1.1805461994590694
Energy: 1.0898378918624447
Energy: 1.0911645899172868
Energy: 0.9774791270961015
Energy: 1.3535219262099227
Energy: 1.088897316254644
Energy: 1.190877852091178
Energy: 1.217537826944114
Energy: 1.0891968142134136
Energy: 1.0914638644281036
Energy: 1.0915669922207212
Energy: 1.2827625942375336
Energy: 1.2326308779518809
Energy: 0.9779866053422813
Energy: 1.0769631728448286
Energy: 1.3640460716038108
Energy: 1.0897568651421528
Energy: 1.644663231340527
Energy: 1.1911377733744453
Energy: 1.3570686333351833
Energy: 1.1819532186855866
Energy: 1.1989879922999074
Energy: 1.2434545988897856
Energy: 1.1914765436966925
Energy: 1.3608906142866202
Energy: 1.3152460277312537
Energy: 1.1904367273267502
Energy: 1.2477803109587107
Energy: 1.3296207602357208
Energy: 1.0901671847773242
Energy: 1.0880054337118492
Energy: 1.0929099641385696
Energy: 1.215474958824992
Energy: 1.1885048750857863
Energy: 1.0883099033511658

minimum gb energy = 0.9765588172502652 eV
minimum distance =  2.36891059848836 Angstroms
sigma value = 15


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

Energy: 1.6758510976946335
Energy: 1.234844605445066
Energy: 1.3102840355272256
Energy: 1.2366346056099644
Energy: 1.3846817107472973
Energy: 1.612133703172391
Energy: 1.2094916994099143
Energy: 1.2210744642770206
Energy: 1.253573337559379
Energy: 1.2877189967864524
Energy: 1.4264642291985974
Energy: 1.485146461004264
Energy: 1.4927670714423904
Energy: 1.2208177762459365
Energy: 1.2505159075962282
Energy: 1.270174605497251
Energy: 1.210443295499077
Energy: 1.2094600110561544
Energy: 1.2089077144394957
Energy: 1.4077001558938658
Energy: 1.4385047877358719
Energy: 1.4422586444703203
Energy: 1.497903464156731
Energy: 1.3157889596819257
Energy: 1.2770557834401053
Energy: 1.2519638346733508
Energy: 1.2206194481839698
Energy: 1.22878731146182
Energy: 1.3233337672034622
Energy: 1.465106282796359
Energy: 1.4505885078576848
Energy: 1.365512569291315
Energy: 1.3471406027628834
Energy: 1.258285710102252
Energy: 1.2554622494015744
Energy: 1.2680910320766776
Energy: 1.2743466535462586
Energy: 1.2301968488330384
Energy: 1.1833107442713133
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Energy: 1.227298000186984
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Energy: 1.4392479367395823
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Energy: 1.4026176817960097
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Energy: 1.2263042570970166
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Energy: 1.4219997331166347
Energy: 1.2914432342350983
Energy: 1.4385831278750199
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Energy: 1.2512814508863281
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Energy: 1.2909133384550076
Energy: 1.2032777899722573
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Energy: 1.2940121637228712
Energy: 1.2761439473139469
Energy: 1.4430528691673312
Energy: 1.2895788872930274
Energy: 1.3510077797177196
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Energy: 1.3692198504165354
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Energy: 1.3598738020382148
Energy: 1.3632240916708787
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Energy: 1.358180837537081
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Energy: 1.2905793813837831
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Energy: 1.2948861911862837
Energy: 1.3258277831689746
Energy: 1.3510225869934895
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Energy: 1.2745966383440068
Energy: 1.4222833012620788
Energy: 1.4493288361176242
Energy: 1.4618464393267627
Energy: 1.4915633516850013
Energy: 1.4044868767080219
Energy: 1.2904038311627706
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Energy: 1.3418854562982
Energy: 1.3000003855697784
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Energy: 1.2605848837894076
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Energy: 1.228464379407035
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Energy: 1.3093788443237995
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Energy: 1.508547628876084
Energy: 1.4371984057145084
Energy: 1.3221748200800516
Energy: 1.254117353569775
Energy: 1.4301610030110086
Energy: 1.3236011957226421
Energy: 1.4523136943099413
Energy: 1.4477616700150246
Energy: 1.4621671222303523
Energy: 1.2551981051664256
Energy: 1.2800026211345445
Energy: 1.2765860490199585
Energy: 1.2535172989023138
Energy: 1.4058809100007617
Energy: 1.4930133470667764
Energy: 1.6464700804845973
Energy: 1.4555174841489005
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Energy: 1.2204477156335944
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Energy: 1.1843977470840086
Energy: 1.4828457689431376
Energy: 1.4905728345579137
Energy: 1.4412341361682204
Energy: 1.4101454068615473
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Energy: 1.2078911179067817
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Energy: 1.250234330955433
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Energy: 1.3516549734389545
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Energy: 1.2533114318708207
Energy: 1.2211619193668233
Energy: 1.4737746893222319
Energy: 1.6127788883442373
Energy: 1.221530476855327
Energy: 1.2256384640656055
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Energy: 1.5338746237626173
Energy: 1.395808144264879
Energy: 1.4647075005201242
Energy: 1.4688692203821867
Energy: 1.2212007929414075
Energy: 1.2724716123590718
Energy: 1.22482792094002
Energy: 1.2329466932927662
Energy: 1.236049026900632
Energy: 1.356157209092082
Energy: 1.4063267391249972
Energy: 1.3906456074810285
Energy: 1.3172846984144058
Energy: 1.3703484824015106
Energy: 1.3320535850247373
Energy: 1.294732245702548
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Energy: 1.42238763466838
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Energy: 1.4085263354266413
Energy: 1.3694002690323128
Energy: 1.2892405933355982
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Energy: 1.2919497736895764
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Energy: 1.3123040564914894
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Energy: 1.4314139258476761
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Energy: 1.5199949660897614
Energy: 1.3475057104570622
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Energy: 1.3484568448184424
Energy: 1.405735079459329
Energy: 1.40744335059203
Energy: 1.4024133188943175
Energy: 1.2612871613333685
Energy: 1.4188839950492225
Energy: 1.2337805819493082
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Energy: 1.3558985704251818
Energy: 1.4528655635558734
Energy: 1.4011423832978904
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Energy: 1.2997044364033612
Energy: 1.3231883233711292
Energy: 1.3248825887072462
Energy: 1.409155819268325
Energy: 1.3280533304591895
Energy: 1.423260723675419
Energy: 1.4896849253245479
Energy: 1.3664532430691292
Energy: 1.2931334459274602
Energy: 1.3299054771070364
Energy: 1.4176256385757025
Energy: 1.4404662895841474
Energy: 1.377558313934152
Energy: 1.3852966696761133
Energy: 1.4242531662977451
Energy: 1.2313758096615608
Energy: 1.2337238781494273
Energy: 1.3024889858743243
Energy: 1.2725801468391509
Energy: 1.2195658115155141
Energy: 1.4836420593154427
Energy: 1.5220854520371567
Energy: 1.385759038117162
Energy: 1.5032649563277651
Energy: 1.457270494365256
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Energy: 1.2211842706659635
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Energy: 1.4798442691816696
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Energy: 1.2476632601948616
Energy: 1.2346524223029423
Energy: 1.2216127764188616
Energy: 1.270108785575635
Energy: 1.216585838097537
Energy: 1.2073232271097973
Energy: 1.209387603707732
Energy: 1.4024834995675222
Energy: 1.3430293655649426
Energy: 1.4760038413165077
Energy: 1.462325250724779
Energy: 1.4818910414383515
Energy: 1.2780527405596884
Energy: 1.2518041359229284
Energy: 1.2208911902624198
Energy: 1.2287611723905532
Energy: 1.3229472519943923
Energy: 1.367035052944756
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Energy: 1.5918959026239898
Energy: 1.4744305996141893
Energy: 1.3152982998556606
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Energy: 1.2486529992365547
Energy: 1.2805089923950186
Energy: 1.2550701082476634
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Energy: 1.4670855757452814
Energy: 1.3471702157884602
Energy: 1.4555581690410522
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Energy: 1.2489209048253944
Energy: 1.438037735668534
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Energy: 1.2643049844851488
Energy: 1.2296629359043179
Energy: 1.446519456090736
Energy: 1.2311754937364658
Energy: 1.2578831382577627
Energy: 1.3703664083427356
Energy: 1.250456515273884
Energy: 1.286490802312434
Energy: 1.3279890727111692
Energy: 1.2917460247602612
Energy: 1.291645557880248
Energy: 1.4051809876324224
Energy: 1.4151052756067635
Energy: 1.4784644689977857
Energy: 1.4497395931069175
Energy: 1.4185395695205463
Energy: 1.2894033386815218
Energy: 1.3665990871794698
Energy: 1.3514910171741623
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Energy: 1.2945125784283416
Energy: 1.3277910430646203
Energy: 1.4328861572902143
Energy: 1.2917070133802544
Energy: 1.3471063928948825
Energy: 1.4174121969373914
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Energy: 1.358230949944991
Energy: 1.3042936493699056
Energy: 1.3597115942460307
Energy: 1.3375867993164998
Energy: 1.2481851896056577
Energy: 1.364724303089291
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Energy: 1.351515374151066
Energy: 1.352906924574602
Energy: 1.3751864940776068
Energy: 1.421995563430885
Energy: 1.2837566942930583
Energy: 1.2943683999685232
Energy: 1.3878104332118661
Energy: 1.3041264488244815
Energy: 1.294482900932935
Energy: 1.2911377163599527
Energy: 1.3531540390870052
Energy: 1.3005923299229178
Energy: 1.256965649270011
Energy: 1.416738857870083
Energy: 1.43854933960273
Energy: 1.5086048317743128
Energy: 1.485993152748179
Energy: 1.3810391084224543
Energy: 1.2920939581899853
Energy: 1.3092728607622333
Energy: 1.2928837805901856
Energy: 1.5083914087253332
Energy: 1.4412716548241657
Energy: 1.3903167714767832
Energy: 1.3519842601813996
Energy: 1.2593089865686935
Energy: 1.3195661575487647
Energy: 1.2279959664675935
Energy: 1.2305090695371308
Energy: 1.2258940296039813
Energy: 1.4489243162639989
Energy: 1.2789525944530782
Energy: 1.2656010455696094
Energy: 1.2564428813345971
Energy: 1.2556150584417554
Energy: 1.4816270765623503
Energy: 1.3244307203645824
Energy: 1.3537384487164208
Energy: 1.4528234592150784
Energy: 1.2591730290537106
Energy: 1.2284086548617565
Energy: 1.2202543525419902
Energy: 1.257504990546065
Energy: 1.2771124722674074
Energy: 1.3605082238071093
Energy: 1.4834917724607162
Energy: 1.4072866059635332
Energy: 1.4389513529774118
Energy: 1.4112673449078523
Energy: 1.213099999159913
Energy: 1.2093349943223588
Energy: 1.2103731691726205
Energy: 1.2621978937625735
Energy: 1.2530634494335762
Energy: 1.1846801056006757
Energy: 1.469687797266975
Energy: 1.4755599410525315
Energy: 1.4721754796919666
Energy: 1.4061961961281155
Energy: 1.2531507929444445
Energy: 1.2209377714819822
Energy: 1.2110661862188266
Energy: 1.631743524978427
Energy: 1.3851574220721543
Energy: 1.2229974215639625
Energy: 1.2477014031927154
Energy: 1.2500643029323955
Energy: 1.349928970427177
Energy: 1.246136437288197
Energy: 1.4631558942801737
Energy: 1.4648500503786732
Energy: 1.219581932984253
Energy: 1.2729146350964644
Energy: 1.220753465236928
Energy: 1.226239481362276
Energy: 1.223153419995245
Energy: 1.355333206572006
Energy: 1.4662027839778071
Energy: 1.3717043416575936
Energy: 1.3246150360164972
Energy: 1.444331128893552
Energy: 1.2532378287672887
Energy: 1.3150946639940149
Energy: 1.305967530869519
Energy: 1.2335009467913067
Energy: 1.2345424161600336
Energy: 1.355782746756724
Energy: 1.4163929705508602
Energy: 1.3911759399880412
Energy: 1.3102670054320817
Energy: 1.3861189213110283
Energy: 1.302093531932273
Energy: 1.2946327127970692
Energy: 1.294070315869346
Energy: 1.3825376631948014
Energy: 1.465896796402717
Energy: 1.4308770760319562
Energy: 1.401656831424295
Energy: 1.3470304404060323
Energy: 1.3654172526400603
Energy: 1.2867630555220952
Energy: 1.3151885885413321
Energy: 1.33485193615966
Energy: 1.402142919432185
Energy: 1.5343957274793183
Energy: 1.3751529639846993
Energy: 1.2345480540609657
Energy: 1.2343143392823779
Energy: 1.5024691598607283
Energy: 1.3177854675565392
Energy: 1.3476378294860387
Energy: 1.3698788517715668
Energy: 1.388720869515974
Energy: 1.2799972560457538
Energy: 1.3005558042740488
Energy: 1.3505762138134736
Energy: 1.3961087405096575
Energy: 1.3072102731139297
Energy: 1.4561996500542411
Energy: 1.2504459862367248
Energy: 1.3217121086475487
Energy: 1.3562682349507862
Energy: 1.4522275635366706
Energy: 1.4014196090449342
Energy: 1.3872932129077564
Energy: 1.414305587143815
Energy: 1.3744439080485806
Energy: 1.2628589121611264
Energy: 1.4592476403350116
Energy: 1.2946775210369197
Energy: 1.2255076782054874
Energy: 1.4832766161070703
Energy: 1.4804534314778006
Energy: 1.3282553341325327
Energy: 1.2998276455181257
Energy: 1.3544938217940878
Energy: 1.3548669957069923
Energy: 1.4080807425812307
Energy: 1.3513126058974647
Energy: 1.3707276808892952
Energy: 1.463866001042683
Energy: 1.235503507551638
Energy: 1.2473407102833258
Energy: 1.300611800313464
Energy: 1.3032192102797497
Energy: 1.3265811823204114
Energy: 1.326477854179012
Energy: 1.3542614421207149
Energy: 1.376984606792269
Energy: 1.397659023536291
Energy: 1.358620240835315
Energy: 1.2229646724544834
Energy: 1.2211587189888473
Energy: 1.2297479410991732
Energy: 1.2720103259658497
Energy: 1.220760407575225
Energy: 1.4579855946144706
Energy: 1.5054537266032095
Energy: 1.40016301667823
Energy: 1.3485631185718494
Energy: 1.2085602716532908
Energy: 1.301144620057233
Energy: 1.220950175280487
Energy: 1.221075195985406
Energy: 1.61292390394956
Energy: 1.466531098108731
Energy: 1.2194189023593514
Energy: 1.2529880400038433
Energy: 1.4114167147863625

minimum gb energy = 1.1833107442713133 eV
minimum distance =  2.26801509632476 Angstroms
sigma value = 437


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

Energy: 1.6021905451834797
Energy: 1.3114595784774439
Energy: 1.2811711760654674
Energy: 1.2833739501660182
Energy: 1.395420675389204
Energy: 1.491259789351283
Energy: 1.405840211854872
Energy: 1.2289601181960106
Energy: 1.2333039626174298
Energy: 1.2422168625044623
Energy: 1.2416524112897593
Energy: 1.2626747460953607
Energy: 1.3520808975546388
Energy: 1.479596784906038
Energy: 1.2825531861354076
Energy: 1.2361396473381074
Energy: 1.2951257427865714
Energy: 1.2942911183782877
Energy: 1.3728766625023359
Energy: 1.5234277776167398
Energy: 1.396941603281857
Energy: 1.245627199534577
Energy: 1.5233356991680922
Energy: 1.2657955114953603
Energy: 1.2731864699684445
Energy: 1.2995903892694716
Energy: 1.3098503763435563
Energy: 1.2112933330713234
Energy: 1.2833072807348256
Energy: 1.5219601081871434
Energy: 1.3958777899669077
Energy: 1.2626764628400453
Energy: 1.4644604432779917
Energy: 1.2960065567308097
Energy: 1.3237587729274425
Energy: 1.2069896054846208
Energy: 1.2431934619867817
Energy: 1.2429626351797523
Energy: 1.3906277560882403
Energy: 1.4505848287128142
Energy: 1.2818384419982
Energy: 1.4760820209717092
Energy: 1.2788600842042164
Energy: 1.3957069151776298
Energy: 1.3144568001353867
Energy: 1.3158140179603661
Energy: 1.5215679993479834
Energy: 1.4185984003328374
Energy: 1.4871216710052733
Energy: 1.2830653439575967
Energy: 1.2497052183569466
Energy: 1.5233068886058347
Energy: 1.2472473056682427
Energy: 1.3973649149231933
Energy: 1.351676889464843
Energy: 1.2300084944662633
Energy: 1.2289698132424627
Energy: 1.3092022016263256
Energy: 1.396211065635661
Energy: 1.2451459940853926
Energy: 1.2413959765356473
Energy: 1.4015954034427476
Energy: 1.2799375901834107
Energy: 1.2871531368012958
Energy: 1.3849742682035147
Energy: 1.3301189854145157
Energy: 1.4075690172434319
Energy: 1.40712672535835
Energy: 1.3689680360582381
Energy: 1.2630417455170648
Energy: 1.2419942310316234
Energy: 1.244420844374683
Energy: 1.3076217138815436
Energy: 1.2829818184406239
Energy: 1.4797430795586948
Energy: 1.291665010618285
Energy: 1.208252447038006
Energy: 1.3125769631663884
Energy: 1.3175636413160687
Energy: 1.511067031506921
Energy: 1.3904626058877483
Energy: 1.2620320156827787
Energy: 1.545118079615403
Energy: 1.4389741007624748
Energy: 1.2828338350361272
Energy: 1.222874103189254
Energy: 1.2990096537046714
Energy: 1.2080550331734579
Energy: 1.373417140069644
Energy: 1.5234248549179492
Energy: 1.396232511513199
Energy: 1.2459296685415508
Energy: 1.5237454008476607
Energy: 1.2769334280362663
Energy: 1.294991272000097
Energy: 1.2950891807387894
Energy: 1.267366606020548
Energy: 1.2353834818543465
Energy: 1.2261630841290403
Energy: 1.503305941529076
Energy: 1.3002445000400085
Energy: 1.2777356782652185
Energy: 1.4647123915515852
Energy: 1.232387482820295
Energy: 1.3180156368138343
Energy: 1.230353737287619
Energy: 1.242646915345787
Energy: 1.486007641007523
Energy: 1.3908422316485007
Energy: 1.301031012239334
Energy: 1.2630303697427678
Energy: 1.5217742609663567
Energy: 1.2804371254340197
Energy: 1.366949032043734
Energy: 1.3693955078843991
Energy: 1.3270628603301422
Energy: 1.227251942480746
Energy: 1.20945068085383
Energy: 1.4527539250647352
Energy: 1.246222650484222
Energy: 1.2669820009177508
Energy: 1.5228671643984024
Energy: 1.2477204552246168
Energy: 1.2478814319337306
Energy: 1.3896383960196792
Energy: 1.2349508042683643
Energy: 1.2291366362942997
Energy: 1.4062103463867703
Energy: 1.3959337255553312
Energy: 1.2626765030038936
Energy: 1.4947614383116874
Energy: 1.2857970347507623
Energy: 1.2808340425084268
Energy: 1.2871839782579952
Energy: 1.3400684622479153
Energy: 1.403281218130601
Energy: 1.4064883417956504
Energy: 1.3478380018671245
Energy: 1.2435431659535376
Energy: 1.2764689384648364

minimum gb energy = 1.2069896054846208 eV
minimum distance =  2.29395136343698 Angstroms
sigma value = 33