Model name: model_name=MEAM_LAMMPS_KimJungLee_2010_FeNbC__MO_072689718616_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.302443556487561
cohesive_energy=7.470587473106058
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.7920170894737597e-19, 3.95205705955512e-19, 5.75945649860418e-19, 6.653711386871279e-19, 7.40809625499018e-19, 8.05587228988272e-19, 8.618364462547439e-19, 9.110248710951778e-19, 9.542259618543539e-19, 9.9225202208571e-19, 1.0257343093830418e-18, 1.055183918092596e-18, 1.08101260760931e-18, 1.1035680502627618e-18, 1.1231370356704378e-18, 1.1399662990339738e-18, 1.1542721341989598e-18, 1.166238791478306e-18, 1.1760280907120459e-18, 1.183782625620606e-18, 1.1896321725113398e-18, 1.193688883748628e-18, 1.1960569008136799e-18, 1.1968259455979998e-18, 1.195999222454856e-18, 1.193331598359246e-18, 1.1885154553974418e-18, 1.1811502494109439e-18, 1.170779360059062e-18, 1.15686766034604e-18, 1.138767870911742e-18, 1.115693323028874e-18, 1.0866971303067419e-18, 1.0506145103324278e-18, 1.00602273025494e-18, 9.511577936002438e-19, 8.838247183797599e-19, 8.012613520764719e-19, 6.999637343918219e-19, 5.754409642207079e-19, 4.2187073167517397e-19, 2.31601041151236e-19, -5.556717067337819e-21, -3.03400984827312e-19, -6.80945897746242e-19, -1.16497467411408e-18, -1.7941173947532e-18, -2.6257111548645598e-18, -3.74768340812208e-18, -5.300513001794879e-18, -7.519912162277039e-18, -1.0826692582488659e-17, -1.60349041883988e-17, -2.48999077219842e-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: 0.02114281164818769
Energy: 1.876087368173576
Energy: 1.7493394437181664
Energy: 0.02197529957092055
Energy: 0.022033009437104616
Energy: 1.877533628722361
Energy: 0.02166439397032129
Energy: 0.22757926117579752
Energy: 0.2884629922645122
Energy: 0.2274760973395647
Energy: 0.22760653000720557
Energy: 0.2884057407260778
Energy: 0.28865421296090377
Energy: 0.22759060394261116
Energy: 0.2274557441954529
Energy: 0.2885538945675938
Energy: 0.2886733801788611
Energy: 0.22754405750642778
Energy: 0.2275457606136762
Energy: 0.2886520985366755
Energy: 0.2275727312453041
Energy: 0.22801102509582222
Energy: 0.28820370710845095
Energy: 0.28952500978668155
Energy: 0.2273534724781031
Energy: 0.2283500119801827
Energy: 0.2889669774845657
Energy: 0.2275633414303883
Energy: 0.2274698542959213
Energy: 0.2892499845942001
Energy: 0.28848456833351255
Energy: 0.22770205675426156
Energy: 0.22725128198867026
Energy: 0.28818245910348333
Energy: 0.227431381956403
Energy: 0.021740677810131216
Energy: 0.28832520562819275
Energy: 0.2271370356202123
Energy: 0.02193826096906217
Energy: 0.022113780263507868
Energy: 0.2887727107037908
Energy: 0.22743048428631205

minimum gb energy = 0.02114281164818769 eV
minimum distance =  2.82442564488372 Angstroms
sigma value = 5


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

Energy: 3.3316415352900672
Energy: 1.8818285007281854
Energy: 1.6632193113009155
Energy: 3.097924021265245
Energy: 1.6377319616676986
Energy: 1.6791024988553473
Energy: 1.6400057421272063
Energy: 1.6515807104887477
Energy: 1.6435637160521523
Energy: 1.6744440543088095
Energy: 1.7199809184225896
Energy: 1.6398263760827183
Energy: 1.6953320984346667
Energy: 1.6646899270925835
Energy: 1.615646516196334
Energy: 1.6696140657502843
Energy: 1.652469420190778
Energy: 1.6297514785280578
Energy: 1.63646341286148
Energy: 1.682780327203264
Energy: 1.6292547509746678
Energy: 1.608744306739184
Energy: 1.6788353814692616
Energy: 1.6424904697973184
Energy: 1.6200373627151161
Energy: 1.6423476216820854
Energy: 1.6530106603639783
Energy: 1.6184468217923675
Energy: 1.6132555504777504
Energy: 1.6591942658609504
Energy: 1.6506203460139925
Energy: 1.6248140386664764
Energy: 1.638660047165842
Energy: 1.6626352388628052
Energy: 1.629152184424708
Energy: 1.6734270218905798
Energy: 1.6315815441358228
Energy: 1.6299324896404974
Energy: 1.6597389077944318
Energy: 1.6765912626758448
Energy: 1.6261013820167798
Energy: 1.6451992616298294
Energy: 1.675264713770159
Energy: 1.6154440150687541
Energy: 1.6306336776988615
Energy: 1.660420166456629
Energy: 1.6322108129490338
Energy: 1.6147503238429894
Energy: 1.6423121752514032
Energy: 1.66728310499759
Energy: 1.6075702710961162
Energy: 1.621466933428019
Energy: 1.6541622755626972
Energy: 1.6485433129144116
Energy: 1.6271455159412094
Energy: 1.6255567453441047
Energy: 1.5934710920987807
Energy: 1.7242062386021693
Energy: 1.6493713406333856
Energy: 1.586668723978739
Energy: 1.7134365043628847
Energy: 1.5849979274195958
Energy: 1.6082786563481846
Energy: 1.6930049046787226
Energy: 1.6460090953210593
Energy: 1.566044457998278
Energy: 1.5584484577920716
Energy: 1.6351195984581168
Energy: 1.5732944291126854
Energy: 1.6104366527654046
Energy: 1.6561382505701798
Energy: 1.6497189089566109
Energy: 1.673723144897642
Energy: 1.7068369414793203
Energy: 1.6499814755382523
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Energy: 1.669566133924602
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Energy: 1.6285567855712182
Energy: 1.6809423390373253
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Energy: 1.64003823982133
Energy: 1.6763625565068394
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Energy: 1.6512577999378066
Energy: 1.651082581059977
Energy: 1.6339627941687664
Energy: 1.618433391533979
Energy: 1.6512731844118094
Energy: 1.5774551910748185
Energy: 1.5701551956875675
Energy: 1.568851627483162
Energy: 1.6156565497061512
Energy: 1.5784006278713867
Energy: 1.5770804798627192
Energy: 1.5968071626897693
Energy: 1.580108939697954
Energy: 1.5725572002492034
Energy: 1.5697332527539913
Energy: 1.6060451598131666
Energy: 1.5854333122217186
Energy: 1.5706181741404295
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Energy: 1.5643678306283475
Energy: 1.5955053721930617
Energy: 1.5972849162612466
Energy: 1.5894284628213102
Energy: 1.5884825174598518
Energy: 1.588899692491596
Energy: 1.5818618394697155
Energy: 1.581543257221752
Energy: 1.655818845501327
Energy: 1.5959460147920936
Energy: 1.588134958387435
Energy: 1.6902899218874996
Energy: 1.5846755273175601
Energy: 1.6812115420210954
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Energy: 1.5461703161646112
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Energy: 1.5625591651070965
Energy: 1.5481996466290537
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Energy: 1.599642629013511
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Energy: 1.6475879456882343
Energy: 1.5840756115347636
Energy: 1.686266200816375
Energy: 1.6563719048747798
Energy: 1.5848799776782987
Energy: 1.5660191223271274
Energy: 1.583705357166764
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Energy: 1.6530138719074605
Energy: 1.587384847959585
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Energy: 1.5728989459857452
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Energy: 1.6731527015244034
Energy: 1.5960756084021028
Energy: 1.581956166530685
Energy: 1.5787612383256115
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Energy: 1.527178321258138
Energy: 1.5990092876589848
Energy: 1.5545548661756694
Energy: 1.5288786537383499
Energy: 1.5824984956682402
Energy: 1.6273545474013575
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Energy: 1.5191403640002568
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Energy: 1.619015391170001
Energy: 1.551878309362237
Energy: 1.5243193252078329
Energy: 1.6023496240117017
Energy: 1.5478100650068163
Energy: 1.5230376086877915
Energy: 1.5865339022031284
Energy: 1.6194464197678498
Energy: 1.5486148328909957
Energy: 1.575486680749011
Energy: 1.6521384516054338
Energy: 1.5989626378568706
Energy: 1.6645757698062185
Energy: 1.6235555837291673
Energy: 1.522763711292205
Energy: 1.7352498392734874
Energy: 1.6296983626211878
Energy: 1.5414562793692879
Energy: 1.5217316796987412
Energy: 1.5895272198979689
Energy: 1.5695495704211149
Energy: 1.6022149507131653
Energy: 1.6760423123877994
Energy: 1.5857753537171735
Energy: 1.5416466285839148
Energy: 1.6242388196247783
Energy: 1.6624841707159335
Energy: 1.622921771715607
Energy: 1.523375115060928
Energy: 1.6496303154142067
Energy: 1.6416602656483434
Energy: 1.726534430023213
Energy: 1.5926891801157326
Energy: 1.5225195164515888
Energy: 1.547261710625367
Energy: 1.6030060293543054
Energy: 1.654938378083121
Energy: 1.6286047785995077
Energy: 1.6272577276020443
Energy: 1.5830665442622123
Energy: 1.5289950934395788
Energy: 1.5712848422586294
Energy: 1.584213270025854
Energy: 1.639352007224698
Energy: 1.744084148136959
Energy: 1.691025487496015
Energy: 1.6697764016144172
Energy: 1.5529986081782046
Energy: 1.6486393387860514
Energy: 1.6401965142075332
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Energy: 1.5964608794203146
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Energy: 1.5529685566042677
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Energy: 1.5533214789502696
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Energy: 1.5314206958576293
Energy: 1.6223853122261742
Energy: 1.5822139705559979
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Energy: 1.5949429444971588
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Energy: 1.621202776095039
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Energy: 1.5303140588229547
Energy: 1.5523303037964475
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Energy: 1.5969123095053672
Energy: 1.584693452260466
Energy: 1.5891638825104104
Energy: 1.6230175745229478
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Energy: 1.5795251457654862
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Energy: 1.5886739627272763
Energy: 1.586905979801106
Energy: 1.6305171628293165
Energy: 1.5628721429826313
Energy: 1.6066649026264244
Energy: 1.6706140103195446
Energy: 1.5966184880439902
Energy: 1.5790440695220087
Energy: 1.656652277419417
Energy: 1.6001314137864948
Energy: 1.5840864069366825
Energy: 1.621336046082127
Energy: 1.5172592995813694
Energy: 1.6088833534265605
Energy: 1.6060441546887112
Energy: 1.5494789339630457
Energy: 1.6121940463900308
Energy: 1.585762201994548
Energy: 1.649721286641074
Energy: 1.6718153430412441
Energy: 1.6012857062702543
Energy: 1.5691678267923206
Energy: 1.6713719320369753
Energy: 1.7279832410400857
Energy: 1.584707583048082
Energy: 1.5829428904386729
Energy: 1.5957517755115125
Energy: 1.6612614129546608
Energy: 1.5882309404214914
Energy: 1.6104721249583422
Energy: 1.6637489190849495
Energy: 1.5649865721234293
Energy: 1.5764832492098253
Energy: 1.5866717839421745
Energy: 1.589513759211338
Energy: 1.5863302869067062
Energy: 1.605014019760731
Energy: 1.5830058354672052
Energy: 1.5717241755413438
Energy: 1.5783414507197706
Energy: 1.5960887362303606
Energy: 1.570156296286803
Energy: 1.5871132809305966
Energy: 1.6118628293605062
Energy: 1.5893205201132063
Energy: 1.635127085360325
Energy: 1.6705216566008787
Energy: 1.7267366854354742
Energy: 1.729367193346906
Energy: 1.666690621408419
Energy: 1.7229859800040934
Energy: 1.6745615373595513
Energy: 1.6104216427356313
Energy: 1.6774795203666641
Energy: 1.647252703038691
Energy: 1.6157932943793047
Energy: 1.6324160841450235
Energy: 1.6604338686721245
Energy: 1.623661590623515
Energy: 1.6103751467790186
Energy: 1.6700033405681487
Energy: 1.6468898258530607
Energy: 1.6258011011887035
Energy: 1.6396745913714406
Energy: 1.6616889292530648
Energy: 1.6271019409017584
Energy: 1.6082596608033324
Energy: 1.6530648000269998
Energy: 1.6585514638080354
Energy: 1.6804053717266914
Energy: 1.6479561546521853
Energy: 1.691073184391747
Energy: 1.6725605868800881
Energy: 1.5780508994029017
Energy: 1.715902868478092
Energy: 1.5644644375167938
Energy: 1.5753388335526317
Energy: 1.563277641664544
Energy: 1.671912539326735
Energy: 1.6357795330255063

minimum gb energy = 1.5172592995813694 eV
minimum distance =  2.62320645426725 Angstroms
sigma value = 401


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

Energy: 2.801259078791445
Energy: 1.7518468358708077
Energy: 2.0092176850631285
Energy: 1.6501250296053411
Energy: 2.8493662352541826
Energy: 1.9298579551278507
Energy: 1.6916474092008036
Energy: 1.6424018121980613
Energy: 1.6430823756949335
Energy: 1.6791591146500786
Energy: 1.6498532972254287
Energy: 1.6423169195311127
Energy: 1.6271300001476372
Energy: 1.6338035641101634
Energy: 1.6259716332589689
Energy: 1.7071591058774072
Energy: 1.684986780227499
Energy: 1.6329624163788716
Energy: 1.668187067388019
Energy: 1.7159630492129767
Energy: 1.6313317772959564
Energy: 1.6416591811419694
Energy: 1.6227691422159893
Energy: 1.6876322868957885
Energy: 1.6298597431887203
Energy: 1.6237830965768325
Energy: 1.6718125730817741
Energy: 1.6678564339134647
Energy: 1.641354938210616
Energy: 1.6743535451514138
Energy: 1.6827933700447506
Energy: 1.6626396014267872
Energy: 1.6614732046815075
Energy: 1.770052665236735
Energy: 1.6857380346037125
Energy: 1.8353129552501288
Energy: 1.7247421709506647
Energy: 1.7065001446595518
Energy: 1.7979056789981616
Energy: 1.7413357589774645
Energy: 1.7101925640239026
Energy: 1.7071983731428229
Energy: 1.8350981280423984
Energy: 1.697288638637914
Energy: 1.6943705381408136
Energy: 1.7069223759850822
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Energy: 1.7065511457509532
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Energy: 1.6976937482848755
Energy: 1.6783841701198523
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Energy: 1.6107968860113901
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Energy: 1.8082899816494888
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Energy: 1.842496805371276
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Energy: 1.708886893746586
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Energy: 1.7154762016404863
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Energy: 1.633044469259805
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Energy: 1.6202196207153632
Energy: 1.608828964006067
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Energy: 1.6081602796199108
Energy: 1.6058815127035748
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Energy: 1.6052057792942154
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Energy: 1.6205705746607428
Energy: 1.6019290598469835
Energy: 1.602160348170042
Energy: 1.6971027189599137
Energy: 1.605261433596113
Energy: 1.6511111708980863
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Energy: 1.68589103458015
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Energy: 1.6495837001609457
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Energy: 1.602617964890025
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Energy: 1.6851346428837717
Energy: 1.6057406558300216
Energy: 1.5815040644835578
Energy: 1.6056707892598547
Energy: 1.7328832652123882
Energy: 1.6001495473472096
Energy: 1.5804933257514573
Energy: 1.6552006465338545
Energy: 1.5962662770354175
Energy: 1.5226272662042915
Energy: 1.5656722526979676
Energy: 1.7371035739303613
Energy: 1.5240923094573748
Energy: 1.5237949370820596
Energy: 1.669953871241111
Energy: 1.5832752942325297
Energy: 1.5222923485524429
Energy: 1.565359508921736
Energy: 1.6918934486829933
Energy: 1.5230237004401475
Energy: 1.5245942002473203
Energy: 1.7028130254436844
Energy: 1.5667928404828557
Energy: 1.604705432258435
Energy: 1.5965461917883557
Energy: 1.6644352634042978
Energy: 1.6020721568265497
Energy: 1.5899392207751297
Energy: 1.7108467310272673
Energy: 1.61731429579501
Energy: 1.6044166111365505
Energy: 1.6315186851359464
Energy: 1.6466357830245886
Energy: 1.6120899085194402
Energy: 1.608992434155075
Energy: 1.734670764461193
Energy: 1.6120446198228253
Energy: 1.6272119353810295
Energy: 1.6617115327789385
Energy: 1.6460443617281955
Energy: 1.6437414805657686
Energy: 1.6640664995183445
Energy: 1.7311551559356888
Energy: 1.648938789941418
Energy: 1.8459580242980582
Energy: 1.7302050951583956
Energy: 1.7147148066725748
Energy: 1.7302283259128846
Energy: 1.7387068591588497
Energy: 1.7126093716287063
Energy: 1.7095234535611996
Energy: 1.8445633651233535
Energy: 1.7049291759274767
Energy: 1.7120415482561075
Energy: 1.775668914084664
Energy: 1.741184906954355
Energy: 1.710834723137978
Energy: 1.7227311797125495
Energy: 1.8490809766663345
Energy: 1.7076535432407183
Energy: 1.7101597472286034
Energy: 1.721078897449969
Energy: 1.7126882484376114
Energy: 1.711334958099676
Energy: 1.710003069305023
Energy: 1.7049327022392837
Energy: 1.6390986401499712
Energy: 1.6823256190583349
Energy: 1.6679797392119775
Energy: 1.6744913669648764
Energy: 1.6658832170518036
Energy: 1.7366583645494513
Energy: 1.7405794355342075
Energy: 1.6286380510747893
Energy: 1.593768463068011
Energy: 1.6170010455404655
Energy: 1.6114371037530375
Energy: 1.587540083787974
Energy: 1.6979847685823979
Energy: 1.6428425123046586
Energy: 1.6420118108174782
Energy: 1.6822672572674855
Energy: 1.6508789814175246
Energy: 1.6370989195832186
Energy: 1.6664155115296155
Energy: 1.7043507067846244
Energy: 1.851281260990934
Energy: 1.7431483747833487
Energy: 1.7080639485837201
Energy: 1.7090223243316287
Energy: 1.7122674042471575
Energy: 1.7091475955202053
Energy: 1.7095607320754773
Energy: 1.8491002429634
Energy: 1.7072335055299235
Energy: 1.7152309859146033
Energy: 1.71549507280224
Energy: 1.7085742119972258
Energy: 1.7153726581807196
Energy: 1.7154978780417678
Energy: 1.850042226573677
Energy: 1.7108517618580794
Energy: 1.7183860536784343
Energy: 1.7085874041957159
Energy: 1.7108595975259278
Energy: 1.7450946332466168
Energy: 1.7159580161858976
Energy: 1.6234175815273963
Energy: 1.639399443997072
Energy: 1.6278623703657313
Energy: 1.6588956321041188
Energy: 1.63578867487881
Energy: 1.6677736994145487
Energy: 1.6222780872258804
Energy: 1.6109687889245436
Energy: 1.6333275224989097
Energy: 1.6311057369530917
Energy: 1.624877997293051
Energy: 1.6448770576937157
Energy: 1.675166602810794
Energy: 1.6031811704315093
Energy: 1.6044387693830044
Energy: 1.5886877029641833
Energy: 1.6319201090472042
Energy: 1.6050562812736724
Energy: 1.6071572044263158
Energy: 1.627846341388603
Energy: 1.6075399423090928
Energy: 1.6270158462370907
Energy: 1.6215687183696956
Energy: 1.7601023232163282
Energy: 1.6319817984437537
Energy: 1.6219916701496613
Energy: 1.7718127327301492
Energy: 1.631131152391636
Energy: 1.6258631767390004
Energy: 1.6061908353569134
Energy: 1.7578739287577265
Energy: 1.6318822240144275
Energy: 1.6230783719875286
Energy: 1.689302240794159
Energy: 1.7109200840942083
Energy: 1.6445269052254068
Energy: 1.595590252991696
Energy: 1.738102142227906
Energy: 1.6472186578185535
Energy: 1.5875201932897913
Energy: 1.7198204334380447
Energy: 1.6423332482575475
Energy: 1.61962415542331
Energy: 1.611286353677882
Energy: 1.6873723768051812
Energy: 1.5741443153798804
Energy: 1.6199450979368955
Energy: 1.6221029065329848
Energy: 1.6473418133054607

minimum gb energy = 1.5222923485524429 eV
minimum distance =  2.5734534570044 Angstroms
sigma value = 311


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

Energy: 1.849995279811137
Energy: 1.7419048522854923
Energy: 1.8053098405371024
Energy: 1.9199874567486659
Energy: 1.9207770140601474
Energy: 1.8340224600380555
Energy: 1.8509600037391474
Energy: 1.668433218864605
Energy: 1.6308979643477999
Energy: 1.6165792016718001
Energy: 1.6641724806368203
Energy: 1.6578734057757214
Energy: 1.6378974095468495
Energy: 1.6288009330688287
Energy: 1.6509223984466412
Energy: 1.6389070161243708
Energy: 1.5835351565151083
Energy: 1.6566882354623484
Energy: 1.642866290036443
Energy: 1.6103900159688485
Energy: 1.6522491405317277
Energy: 1.6145596505954833
Energy: 1.6765300337306803
Energy: 1.6848193375285545
Energy: 1.6214290293654858
Energy: 1.7498659665549159
Energy: 1.6094229665391064
Energy: 1.7158627617194808
Energy: 1.674533429904461
Energy: 1.6805760358299806
Energy: 1.6654879307426507
Energy: 1.6512801302169335
Energy: 1.6557371572975974
Energy: 1.662808864113911
Energy: 1.6487846949359406
Energy: 1.7716133281509028
Energy: 1.7566366180763684
Energy: 1.7817798135612868
Energy: 1.7691218766863477
Energy: 1.7736244290283287
Energy: 1.7816648192693951
Energy: 1.7706141665583428
Energy: 1.7830298432406053
Energy: 1.7643170946954345
Energy: 1.784088779882046
Energy: 1.7904315424161588
Energy: 1.800898453332124
Energy: 1.777896162174941
Energy: 1.763668623999336
Energy: 1.6382939456186398
Energy: 1.6358673341055265
Energy: 1.6285231311498762
Energy: 1.6645571693195482
Energy: 1.6415928003113645
Energy: 1.6188872052657197
Energy: 1.6466155592419278
Energy: 1.688897250380979
Energy: 1.6429172853790877
Energy: 1.615038375504316
Energy: 1.6914837584657818
Energy: 1.712964489325806
Energy: 1.6140071767858926
Energy: 1.664365680634835
Energy: 1.68917948014742
Energy: 1.701498247478619
Energy: 1.7375238204234924
Energy: 1.6892494446365849
Energy: 1.725438023567508
Energy: 1.697977867850178
Energy: 1.7355230158644483
Energy: 1.615362905487187
Energy: 1.6235847213512744
Energy: 1.6130365799349382
Energy: 1.6201878926258209
Energy: 1.6008772937986036
Energy: 1.6198356162030254
Energy: 1.6151185200722422
Energy: 1.7577445808698675
Energy: 1.7925429985028156
Energy: 1.6216552441323635
Energy: 1.7835074802944222
Energy: 1.7919109768866934
Energy: 1.6248268716298064
Energy: 1.7495502590010377
Energy: 1.755419402662019
Energy: 1.8236022640814493
Energy: 1.7915703910396816
Energy: 1.7493100282391845
Energy: 1.8089790800690537
Energy: 1.8088998971932475
Energy: 1.7530976194262
Energy: 1.6145904256346626
Energy: 1.6602140304639388
Energy: 1.6418283633696373
Energy: 1.5830670544172398
Energy: 1.627454326405913
Energy: 1.6271037153823342
Energy: 1.6373188489674
Energy: 1.583166048087582
Energy: 1.6571617732458968
Energy: 1.63852292419819
Energy: 1.583199221249209
Energy: 1.6216264412518921
Energy: 1.6279431837438108
Energy: 1.6012904252739926
Energy: 1.6949491221408541
Energy: 1.6902727790154606
Energy: 1.7138767345309909
Energy: 1.6936799631500432
Energy: 1.7156479350157752
Energy: 1.789080126493753
Energy: 1.5499742787635098
Energy: 1.6520151588371075
Energy: 1.6277345481701857
Energy: 1.6565901641190888
Energy: 1.663607247553401
Energy: 1.649192138341513
Energy: 1.6560380718892875
Energy: 1.6629435524886678
Energy: 1.7688568624493577
Energy: 1.7803630319777572
Energy: 1.775114248932513
Energy: 1.7809777339143869
Energy: 1.768865003456971
Energy: 1.776206771209705
Energy: 1.7658836509312044
Energy: 1.7645740757032504
Energy: 1.7942597211079265
Energy: 1.7887657980282554
Energy: 1.7924236738805783
Energy: 1.7982841224618558
Energy: 1.8033654291923986
Energy: 1.7643061100529265
Energy: 1.6349195301799062
Energy: 1.6489226142468896
Energy: 1.620756215926277
Energy: 1.6281992469012694
Energy: 1.6607413458351685
Energy: 1.641234623705758
Energy: 1.6206067388852121
Energy: 1.7357229822217373
Energy: 1.6889762323967465
Energy: 1.693737100252921
Energy: 1.7297724018517093
Energy: 1.6150544687609623
Energy: 1.6967301793231393
Energy: 1.6983521528111396
Energy: 1.7365505637076621
Energy: 1.6987006214617704
Energy: 1.7146297606727694
Energy: 1.6022553084313462
Energy: 1.6989714667498526
Energy: 1.7065977351063844
Energy: 1.727260299348001
Energy: 1.6098131528582944
Energy: 1.6230037132528023
Energy: 1.644666745136048
Energy: 1.6186549423824852
Energy: 1.6348387494837582
Energy: 1.6254040556383893
Energy: 1.7480580408781097
Energy: 1.7500262502856199
Energy: 1.7606550011939073
Energy: 1.8113950294028032
Energy: 1.7914419552751335
Energy: 1.7495548478741418
Energy: 1.7948025187088728
Energy: 1.7706662749917175
Energy: 1.7646988618042672
Energy: 1.6301982523916456
Energy: 1.8430309018618378
Energy: 1.7910139232077327
Energy: 1.7486227430551016
Energy: 1.809803887301999
Energy: 1.8412349382984723
Energy: 1.6297270609696566
Energy: 1.5784177881293355
Energy: 1.6702241333543575
Energy: 1.6427107123962355
Energy: 1.6110849584044251
Energy: 1.6000615158076592
Energy: 1.6179116287065158
Energy: 1.690648623409979
Energy: 1.5864628609717124
Energy: 1.6223969798518791
Energy: 1.7569332576915804
Energy: 1.5861393019349204
Energy: 1.6673922524513183
Energy: 1.7103142515536236
Energy: 1.6856021138209127
Energy: 1.6950937304821743
Energy: 1.6909869867460712
Energy: 1.7154806934914788
Energy: 1.713764880607887
Energy: 1.7132204376197044
Energy: 1.763450756900315
Energy: 1.6521507849007793
Energy: 1.6655694574890547
Energy: 1.6505242884506297
Energy: 1.6555188169992814
Energy: 1.662641050891693
Energy: 1.6483656445219845
Energy: 1.6564462598402234
Energy: 1.772173025554819
Energy: 1.7724993538281675
Energy: 1.770019102316689
Energy: 1.7748095284207863
Energy: 1.7837360312802202
Energy: 1.7806737021085675
Energy: 1.7843661601981664
Energy: 1.7701869072688343
Energy: 1.7846626315099607
Energy: 1.6448164388604658
Energy: 1.6417773847113
Energy: 1.6289838044378004
Energy: 1.8077085563719582
Energy: 1.8023535003436912
Energy: 1.6330709295318275
Energy: 1.632925431018133
Energy: 1.6482945743996016
Energy: 1.6036750275424458
Energy: 1.6193491282917742
Energy: 1.6597695863850646
Energy: 1.6407389034821858
Energy: 1.6740185404210324
Energy: 1.7327857082418625
Energy: 1.6833561294880048
Energy: 1.693622384996028
Energy: 1.7321134599328794
Energy: 1.7544312547248708
Energy: 1.726704332777686
Energy: 1.7300533109949163
Energy: 1.6896091680507064
Energy: 1.6991333015821573
Energy: 1.7126118174550575
Energy: 1.6043561709823235
Energy: 1.6478555449894474
Energy: 1.708891253651726
Energy: 1.7817423032160904
Energy: 1.7505697978543286
Energy: 1.6200298986642712
Energy: 1.600561429911357
Energy: 1.614303297799385
Energy: 1.6146443817445213
Energy: 1.7612061472704676
Energy: 1.8096219861279477
Energy: 1.7512377779842443
Energy: 1.7490462017444746
Energy: 1.8005715296064926
Energy: 1.7945357025330062
Energy: 1.756220873150014
Energy: 1.796661514870091

minimum gb energy = 1.5499742787635098 eV
minimum distance =  2.55362425037159 Angstroms
sigma value = 39


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

Energy: 2.109324534405179
Energy: 1.730875104445012
Energy: 1.9201476985428436
Energy: 1.829096764263425
Energy: 1.7878656561430766
Energy: 1.7941536142666243
Energy: 1.8157709287341284
Energy: 1.6711721471144738
Energy: 1.5832571732278269
Energy: 1.6305978933810106
Energy: 1.6700184482985212
Energy: 1.642799014188046
Energy: 1.5782974202612263
Energy: 1.6712361897989814
Energy: 1.6716090256347211
Energy: 1.598611841271646
Energy: 1.6299549079647113
Energy: 1.6703639060685027
Energy: 1.6431417268051043
Energy: 1.5984169672762558
Energy: 1.6075918203332784
Energy: 1.6584536992098513
Energy: 1.4830140900576803
Energy: 1.6195064136495614
Energy: 1.7017110411460608
Energy: 1.4851056882375533
Energy: 1.4818777453388392
Energy: 1.6574325283553955
Energy: 1.6439656333412749
Energy: 1.5961915570115233
Energy: 1.6196320146456529
Energy: 1.6352466803545496
Energy: 1.5954305529400798
Energy: 1.5956081294667683
Energy: 1.6352653071485581
Energy: 1.6870929138638922
Energy: 1.5854036714631057
Energy: 1.6105468991242426
Energy: 1.6100178625770813
Energy: 1.6009387890569875
Energy: 1.5880651853831342
Energy: 1.6088445561065834
Energy: 1.6522630839386185
Energy: 1.5791931741026775
Energy: 1.5699541027074568
Energy: 1.704047291058085
Energy: 1.5771241296158907
Energy: 1.6107207163731292
Energy: 1.611277236693758
Energy: 1.652157516092238
Energy: 1.6130786052100383
Energy: 1.612423409686618
Energy: 1.6513769226412767
Energy: 1.6700588014689097
Energy: 1.6134721572176194
Energy: 1.7123158983955153
Energy: 1.7158349469311365
Energy: 1.726879415878174
Energy: 1.6647245868776714
Energy: 1.717028781694892
Energy: 1.7264745692015044
Energy: 1.6595391664290922
Energy: 1.7633297710898586
Energy: 1.7156959804034366
Energy: 1.7267202216225728
Energy: 1.7838688250050887
Energy: 1.7181259313954016
Energy: 1.726270636943808
Energy: 1.7465315017748784
Energy: 1.6735939433643554
Energy: 1.6639307139614732
Energy: 1.616491249680191
Energy: 1.6301631673863728
Energy: 1.707192214994488
Energy: 1.6637139113009747
Energy: 1.5511942110862675
Energy: 1.6705521537743484
Energy: 1.700581793947688
Energy: 1.5550608020109389
Energy: 1.6296700154128432
Energy: 1.67632893758482
Energy: 1.6438351549030852
Energy: 1.6314895041617261
Energy: 1.6649141699159204
Energy: 1.7390455707939858
Energy: 1.5504451904822851
Energy: 1.8576160722481017
Energy: 1.793256075098234
Energy: 1.5576381380373963
Energy: 1.565658643841013
Energy: 1.7446777144766752
Energy: 1.672015914915783
Energy: 1.6059818074656396
Energy: 1.6329517702056762
Energy: 1.6700469868788388
Energy: 1.644521545034857
Energy: 1.6334112873463171
Energy: 1.6644767989456788
Energy: 1.7394313085956437
Energy: 1.7282260750004732
Energy: 1.791137608124312
Energy: 1.6704986813968494
Energy: 1.7187133555952856
Energy: 1.7638731436108999
Energy: 1.7074256706429634
Energy: 1.8099465420820302
Energy: 1.7773464234365541
Energy: 1.842424795251115
Energy: 1.732218373355215
Energy: 1.746372443650626
Energy: 1.7624892913858863
Energy: 1.8161267267006107
Energy: 1.6717119660262165
Energy: 1.583534950992298
Energy: 1.6306493613403004
Energy: 1.6700035913989626
Energy: 1.64299471765653
Energy: 1.5779151480717033
Energy: 1.671219515497304
Energy: 1.6718580693367517
Energy: 1.5982455599060434
Energy: 1.6303011566679784
Energy: 1.6705965258458462
Energy: 1.6432676599846114
Energy: 1.5981538063909233
Energy: 1.607704959945913
Energy: 1.6598566823569072
Energy: 1.4832907081286977
Energy: 1.619385194414806
Energy: 1.70217806114976
Energy: 1.4847701361073653
Energy: 1.4818064634245007
Energy: 1.6573575024574378
Energy: 1.62627633059742
Energy: 1.596139118744846
Energy: 1.61917028649107
Energy: 1.6351844410320313
Energy: 1.5956583827952668
Energy: 1.5955678574200367
Energy: 1.6354194548407757
Energy: 1.6876606093471902
Energy: 1.585623031781515
Energy: 1.6111022574279323
Energy: 1.610022024198486
Energy: 1.6010670274886942
Energy: 1.5880831929091208
Energy: 1.608700609774266
Energy: 1.6522721944492975
Energy: 1.579490438887549
Energy: 1.5703462435304756
Energy: 1.7049071651729075
Energy: 1.5772116389233592
Energy: 1.593398231867613
Energy: 1.6109745728558664
Energy: 1.6527588428557292
Energy: 1.613098851177299
Energy: 1.6122446450995433
Energy: 1.6486373603823856
Energy: 1.6710836310696557
Energy: 1.6560095431287005
Energy: 1.7120645238030054
Energy: 1.7157548297517733
Energy: 1.726693092168513
Energy: 1.665239552258447
Energy: 1.7169900568165597
Energy: 1.7265770747144165
Energy: 1.6737940644228557
Energy: 1.7627754319502482
Energy: 1.715668845853635
Energy: 1.726448651081752
Energy: 1.7835939230385158
Energy: 1.71807212612837
Energy: 1.7262189385736786
Energy: 1.749412670962672
Energy: 1.6733135431473476
Energy: 1.664174509665381
Energy: 1.6159041445785522
Energy: 1.629915781384312
Energy: 1.7072759801137178
Energy: 1.6640506225760612
Energy: 1.6478398966964822
Energy: 1.670467259626002
Energy: 1.7002845911125646
Energy: 1.5547258843766738
Energy: 1.6296334103069656
Energy: 1.664807011411143
Energy: 1.643870402840899
Energy: 1.6303095411023114
Energy: 1.7537765016707971
Energy: 1.7384701653481314
Energy: 1.5505722798473913
Energy: 1.857444260387639
Energy: 1.7954983416025685
Energy: 1.5591017789418644
Energy: 1.5650935251396934
Energy: 1.7370360237827098
Energy: 1.6718719697791735
Energy: 1.6058331106424337
Energy: 1.632657187546043
Energy: 1.6698039061070515
Energy: 1.644736195794222
Energy: 1.6329115753688586
Energy: 1.6646321062497085
Energy: 1.7393560455430697
Energy: 1.7286936939870532
Energy: 1.7923402669381001
Energy: 1.6712856335099804
Energy: 1.730250954207558
Energy: 1.763775998016669
Energy: 1.707004971659418

minimum gb energy = 1.4818064634245007 eV
minimum distance =  2.54988490076617 Angstroms
sigma value = 21


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

Energy: 2.398808305706405
Energy: 1.7294632324170787
Energy: 1.5752644991592342
Energy: 1.5852800020462605
Energy: 1.5645208882017898
Energy: 1.5269187916261353
Energy: 1.6282502504600116
Energy: 1.6724515837216165
Energy: 1.567970565822954
Energy: 1.5589516244658643
Energy: 1.6781068047722194
Energy: 1.6584177461152032
Energy: 1.565188244892459
Energy: 1.6631672110113846
Energy: 1.6566374739603857
Energy: 1.5441613294502323
Energy: 1.5579440181821802
Energy: 1.5826813320484028
Energy: 1.6223581173940693
Energy: 1.5135266911773957
Energy: 1.5698192976286502
Energy: 1.6375950294125203
Energy: 1.429047021084437
Energy: 1.4567854057906506
Energy: 1.524790037394805
Energy: 1.4193095257961237
Energy: 1.4496129569868084
Energy: 1.5609395439331133
Energy: 1.4985441205946328
Energy: 1.4527276281862969
Energy: 1.5590030750830894
Energy: 1.5007520624739776
Energy: 1.5370025450422309
Energy: 1.450139713167177
Energy: 1.5256036876938517
Energy: 1.4893286190254336
Energy: 1.5745648241838586
Energy: 1.5575087115262558
Energy: 1.529704711636317
Energy: 1.6231094885725477
Energy: 1.5571830330443586
Energy: 1.557220186376142
Energy: 1.4883550585342258
Energy: 1.5484946308548357
Energy: 1.3809338975786216
Energy: 1.4974348543825144
Energy: 1.4885729875403562
Energy: 1.4984084169155631
Energy: 1.3807994167932105
Energy: 1.4314135487319806
Energy: 1.4307886542248767
Energy: 1.4386792688610945
Energy: 1.4443445409761047
Energy: 1.4301646679848816
Energy: 1.592681179407525
Energy: 1.358954912693069
Energy: 1.4768873118745978
Energy: 1.430178439033226
Energy: 1.5120953279197114
Energy: 1.4773078251615446
Energy: 1.4766744791570277
Energy: 1.5854154911026546
Energy: 1.4435028464132937
Energy: 1.3970011655977796
Energy: 1.397624921023717
Energy: 1.6168869906311083
Energy: 1.3970043281154378
Energy: 1.3973251112113512
Energy: 1.5379276524994754
Energy: 1.3972818902415027
Energy: 1.4828617603011263
Energy: 1.4378915941837562
Energy: 1.4919698333812006
Energy: 1.4842960337927822
Energy: 1.4841323273238125
Energy: 1.4913283913412623
Energy: 1.4474565290098067
Energy: 1.4353626177097691
Energy: 1.4727192389087451
Energy: 1.491313871008686
Energy: 1.4479975131892686
Energy: 1.4371350494755524
Energy: 1.4932603031765144
Energy: 1.4471445754043757
Energy: 1.3979345526717395
Energy: 1.4705895530816928
Energy: 1.4366018185174725
Energy: 1.573534651632315
Energy: 1.4093261470552658
Energy: 1.4356315417596726
Energy: 1.435248361258104
Energy: 1.4831212146194503
Energy: 1.4814489835494293
Energy: 1.4358669795903225
Energy: 1.560710996394821
Energy: 1.4362793603900423
Energy: 1.4867352118936223
Energy: 1.436847534123227
Energy: 1.4833792132060801
Energy: 1.5041885524191194
Energy: 1.4994923239422464
Energy: 1.506935151472368
Energy: 1.4761870014626939
Energy: 1.5005063133601577
Energy: 1.5396665108033636
Energy: 1.63669119622608
Energy: 1.4839157280385986
Energy: 1.4927864321554314
Energy: 1.5082725671510802
Energy: 1.4653435596232418
Energy: 1.4921794479732564
Energy: 1.5119697407832366
Energy: 1.6363501678613492
Energy: 1.503309722686451
Energy: 1.4929767382545605
Energy: 1.5284341835867734
Energy: 1.4942226824356142
Energy: 1.4914018933370194
Energy: 1.5398755403521958
Energy: 1.6339632779502582
Energy: 1.5137902258849947
Energy: 1.5428393558082751
Energy: 1.6571651480419667
Energy: 1.676456733899587
Energy: 1.543609645746033
Energy: 1.6296775447448602
Energy: 1.6287033240110733
Energy: 1.4939483389901123
Energy: 1.5738670477236458
Energy: 1.6193515593629597
Energy: 1.6129450015540412
Energy: 1.5256554169101626
Energy: 1.5408276141150254
Energy: 1.6947283007043379
Energy: 1.4944006346253373
Energy: 1.5431223043831162
Energy: 1.6831951316560747
Energy: 1.4928406656027864
Energy: 1.6065291965882833
Energy: 1.5146505000688089
Energy: 1.6766488077145194
Energy: 1.5124500033033463
Energy: 1.5934846252182806
Energy: 1.663440462092322
Energy: 1.6773787199449757
Energy: 1.6060160921103486
Energy: 1.5978648206395119
Energy: 1.647995260638834
Energy: 1.555386536722186
Energy: 1.6657784851786386
Energy: 1.6759058951480965
Energy: 1.5527118399811346
Energy: 1.7124833902785241
Energy: 1.690181885613533
Energy: 1.6579302238532574
Energy: 1.5549137931738066
Energy: 1.6923618843195272
Energy: 1.6463017022258493
Energy: 1.5489367712657378
Energy: 1.6129698676217357
Energy: 1.654613640593964
Energy: 1.672880485270162
Energy: 1.62330140689729
Energy: 1.5942088123487521
Energy: 1.6591269114732303
Energy: 1.6583992096742224
Energy: 1.6104309881558996
Energy: 1.6718418891217874
Energy: 1.6550786989219577
Energy: 1.4934266271415282
Energy: 1.5532296304917403
Energy: 1.6388940202271667
Energy: 1.6827496275615241
Energy: 1.6362416605398338
Energy: 1.5161110206744377

minimum gb energy = 1.358954912693069 eV
minimum distance =  2.53465045281532 Angstroms
sigma value = 113


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

Energy: 2.3973458082694123
Energy: 1.3786141440056434
Energy: 1.3092091967738202
Energy: 1.4099873271021546
Energy: 1.4087837829863907
Energy: 1.3294891788307346
Energy: 1.3442549823229923
Energy: 1.4228369189715127
Energy: 1.3976806317227335
Energy: 1.3839189477430593
Energy: 1.3901746119261422
Energy: 1.444832611683113
Energy: 1.4007863215063188
Energy: 1.3691940215050922
Energy: 1.4594704843192954
Energy: 1.3937551108718382
Energy: 1.382249391059762
Energy: 1.4363498950489015
Energy: 1.3854789758985506
Energy: 1.3800660355608567
Energy: 1.3821637309701602
Energy: 1.3637285694935173
Energy: 1.34287946610446
Energy: 1.3372676486470263
Energy: 1.2988350912791213
Energy: 1.280445044751929
Energy: 1.3361672487616851
Energy: 1.4125916131747212
Energy: 1.3268339590424474
Energy: 1.3422423300877426
Energy: 1.371634047439857
Energy: 1.3442626118808192
Energy: 1.300284444096018
Energy: 1.3308683327232251
Energy: 1.341216430868065
Energy: 1.3205153731105017
Energy: 1.3615179295875053
Energy: 1.3744614465825773
Energy: 1.3514280998191175
Energy: 1.3638515491153882
Energy: 1.4112735016952274
Energy: 1.330225547922837
Energy: 1.3204469587888779
Energy: 1.2773237079361497
Energy: 1.3271488849279074
Energy: 1.3302324019163243
Energy: 1.377127267933655
Energy: 1.3805789226394483
Energy: 1.308652830203436
Energy: 1.3193525618544457
Energy: 1.4284179947224347
Energy: 1.3191992933415793
Energy: 1.2637950698674683
Energy: 1.296722011360841
Energy: 1.3707350569812777
Energy: 1.2826985305765255
Energy: 1.3209011549089604
Energy: 1.325163807201839
Energy: 1.3569905329346572
Energy: 1.3214058001064632
Energy: 1.29795907475808
Energy: 1.3730276629428644
Energy: 1.3316890192451447
Energy: 1.2488813527630478
Energy: 1.298990781331441
Energy: 1.2967383082374133
Energy: 1.3083494320699167
Energy: 1.3032448393807807
Energy: 1.3080873571125726
Energy: 1.3025144435312586
Energy: 1.309486419355365
Energy: 1.3066904094397003
Energy: 1.2787689661777606
Energy: 1.2826572236914247
Energy: 1.298406889513822
Energy: 1.2737538345344677
Energy: 1.304172446309179
Energy: 1.3453319397093713
Energy: 1.308135663442063
Energy: 1.2817460790359885
Energy: 1.307811659069775
Energy: 1.316477989966989
Energy: 1.2874415767394067
Energy: 1.340580981959248
Energy: 1.28074257078469
Energy: 1.264033830820041
Energy: 1.27532138160495
Energy: 1.2420133881344042
Energy: 1.2835378175237682
Energy: 1.2651705253700523
Energy: 1.3013058092306147
Energy: 1.2997185830893119
Energy: 1.2125626307669668
Energy: 1.265371979802961
Energy: 1.242854981478097
Energy: 1.2357462047661538
Energy: 1.2214681351163224
Energy: 1.2861122180005726
Energy: 1.2719047072595833
Energy: 1.3007807434899563
Energy: 1.273836492175229
Energy: 1.2607422789510492
Energy: 1.2746466876534381
Energy: 1.2879615501565653
Energy: 1.2863043813089783
Energy: 1.29267645197181
Energy: 1.2412868470204188
Energy: 1.2526030128007688
Energy: 1.2584277375764665
Energy: 1.2142523313338818
Energy: 1.2528605324519304
Energy: 1.2405445137919482
Energy: 1.2700089461655697
Energy: 1.263888335628655
Energy: 1.2390435680469836
Energy: 1.2175075266230435
Energy: 1.220469831623507
Energy: 1.2480450706037045
Energy: 1.2592715477658827
Energy: 1.269918569547134
Energy: 1.2678823712336378
Energy: 1.2759960213931902
Energy: 1.2650335395203351
Energy: 1.250777623652959
Energy: 1.2613560181878025
Energy: 1.277387297203144
Energy: 1.2728511400275284
Energy: 1.2629280713963151
Energy: 1.2587376053203836
Energy: 1.2741231819192265
Energy: 1.272141034248703
Energy: 1.263942498122684
Energy: 1.2747288232852871
Energy: 1.2292468856114058
Energy: 1.2273398376616602
Energy: 1.3249043956383524
Energy: 1.236921258004534
Energy: 1.2281134763707378
Energy: 1.217637844712021
Energy: 1.2516871815794612
Energy: 1.2764270061177172
Energy: 1.2664821886981237
Energy: 1.24815700904432
Energy: 1.2610477002949936
Energy: 1.2569066662854602
Energy: 1.2463814872307313
Energy: 1.2717295097689274
Energy: 1.2717961532017015
Energy: 1.2555442341912955
Energy: 1.2748428544150179
Energy: 1.2569611236691203
Energy: 1.267369087013008
Energy: 1.2738050249652169
Energy: 1.2789270050637767
Energy: 1.2687473184360616
Energy: 1.2773023718092968
Energy: 1.243040088395813
Energy: 1.259251307231881
Energy: 1.2117872028783256
Energy: 1.2396751183582249
Energy: 1.2504834712957926
Energy: 1.2800467906047548
Energy: 1.2686160569729865
Energy: 1.2823688220138059
Energy: 1.2610293026127173
Energy: 1.2744529513342209
Energy: 1.283810871980472
Energy: 1.2698557901989402
Energy: 1.2924205880063637
Energy: 1.276471522947901
Energy: 1.2792217862934747
Energy: 1.2663453614372067
Energy: 1.2705893485949813
Energy: 1.2607824785329875
Energy: 1.2829847658483482
Energy: 1.2911840815725573
Energy: 1.2467429083955097
Energy: 1.2456176800115022
Energy: 1.2293798747500992
Energy: 1.2332846206067036
Energy: 1.265057458735372
Energy: 1.2481156711666148
Energy: 1.2952034732292454
Energy: 1.2828301885603481
Energy: 1.2455953125673174
Energy: 1.2795428826677169
Energy: 1.3214966208426933
Energy: 1.2714037423058409
Energy: 1.275847132589034
Energy: 1.3297455615314444
Energy: 1.3080662313184865
Energy: 1.2747073567623792
Energy: 1.3011406209275587
Energy: 1.3044905538148406
Energy: 1.28021490069333
Energy: 1.2878562495020636
Energy: 1.2762101253938873
Energy: 1.289124181007967
Energy: 1.2694107780056998
Energy: 1.2708186580140282
Energy: 1.2804982876700346
Energy: 1.2798822356126602
Energy: 1.293460677664646
Energy: 1.277605239191694
Energy: 1.287033827552918
Energy: 1.3021268399904342
Energy: 1.28971134547599
Energy: 1.2869606014571044
Energy: 1.2853517371652283
Energy: 1.2930714123640397
Energy: 1.3188756807554902
Energy: 1.3140197048045545
Energy: 1.3907284324914961
Energy: 1.2958262986132942
Energy: 1.2956467412487198
Energy: 1.3990945640036998
Energy: 1.3249068294594724
Energy: 1.296910097352659
Energy: 1.300021503659256
Energy: 1.3596735987440158
Energy: 1.2937282429476002
Energy: 1.292076352307134
Energy: 1.3361006131303845
Energy: 1.3143527643468988
Energy: 1.3072859758559012
Energy: 1.3164581642327153
Energy: 1.3539760641738572
Energy: 1.3165163152750856
Energy: 1.3473131993054948
Energy: 1.3471429925385805
Energy: 1.3635609153262132
Energy: 1.304892755863232
Energy: 1.38159403594932
Energy: 1.3780532087790067
Energy: 1.354805994544773
Energy: 1.3328487367615873
Energy: 1.3810276573603981
Energy: 1.3615093293236755
Energy: 1.3002096267013328
Energy: 1.3695661484734643
Energy: 1.3442591410450135
Energy: 1.3488845277922887
Energy: 1.3293061017660732
Energy: 1.3668099949687034
Energy: 1.3844256140352744
Energy: 1.3613913860806406
Energy: 1.3633788420758715
Energy: 1.3596606205882067
Energy: 1.2987922311099593
Energy: 1.3669685496322865
Energy: 1.3602719594608645
Energy: 1.3818386476140734
Energy: 1.3956672091414697
Energy: 1.3824887142508024
Energy: 1.4029356816846263
Energy: 1.3327034855870414
Energy: 1.349922937623212
Energy: 1.3713187917379719
Energy: 1.3877865294013318
Energy: 1.4382528249991071
Energy: 1.3458550972156917
Energy: 1.335810202582662
Energy: 1.3804759063706205
Energy: 1.345644071973022
Energy: 1.3870123831077497
Energy: 1.3503094457353777
Energy: 1.474925925199592
Energy: 1.525903088031999
Energy: 1.2986280413501685
Energy: 1.3571130783814116
Energy: 1.3451865237255751
Energy: 1.3267911271197368
Energy: 1.3499466745744015
Energy: 1.4102627581996474
Energy: 1.3746955997625114
Energy: 1.4138795411516925
Energy: 1.393476778288748
Energy: 1.4289268801068256
Energy: 1.4206033363388846
Energy: 1.385246079108448
Energy: 1.4237747305236161
Energy: 1.4100548401725108
Energy: 1.3906006459604436
Energy: 1.4143928394401304
Energy: 1.3830691415598504
Energy: 1.3671098434770952
Energy: 1.4735633345430268
Energy: 1.3573145577089023
Energy: 1.431659856805221
Energy: 1.4881243242983204
Energy: 1.357486276173763
Energy: 1.3707605628664439
Energy: 1.4230643639870417
Energy: 1.3999069262681902
Energy: 1.4691744233791026
Energy: 1.3762056406736844
Energy: 1.4176545044585565
Energy: 1.4194169103829604
Energy: 1.4664746308000445
Energy: 1.3671827569949981
Energy: 1.4258102436704405
Energy: 1.3760504745624529
Energy: 1.3742188013001873
Energy: 1.4578575788976669
Energy: 1.3892196402950203
Energy: 1.4150052163948286
Energy: 1.4188787503462534
Energy: 1.376540211127864
Energy: 1.3879738121244516
Energy: 1.3682521848020581
Energy: 1.3164544086036725
Energy: 1.4102645060508732
Energy: 1.3319715480522358
Energy: 1.3278574821554678
Energy: 1.294834865975627

minimum gb energy = 1.2117872028783256 eV
minimum distance =  2.63857232182366 Angstroms
sigma value = 365


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

Energy: 1.5626660853917733
Energy: 1.4485005697998496
Energy: 1.433418533333736
Energy: 1.4341799190095272
Energy: 1.435609054543517
Energy: 1.433354313393291
Energy: 1.4328293570566806
Energy: 0.5037562310889868
Energy: 0.5064728265649707
Energy: 0.5185342188603721
Energy: 0.5275923673735605
Energy: 0.5304286623950725
Energy: 0.5229194223688186
Energy: 0.5097287944848209
Energy: 0.5038578005408182
Energy: 0.5103209204522102
Energy: 0.5159875201161795
Energy: 0.5241292257470691
Energy: 0.5265045709220353
Energy: 0.5199553374331426
Energy: 0.5143836726310324
Energy: 1.446444910518631
Energy: 1.4467683616464013
Energy: 1.4322045120398819
Energy: 1.4325678003206028
Energy: 1.4353847907855752
Energy: 1.4322543170495057
Energy: 1.4334165888726715
Energy: 1.4507848719774505
Energy: 1.4511686598558844
Energy: 1.452950567449041
Energy: 1.4560553666716087
Energy: 1.441011901803684
Energy: 1.4543066232011777
Energy: 1.451427967515969
Energy: 0.5041025406700727
Energy: 0.5076038977465672
Energy: 0.5156166339303071
Energy: 0.5243917140773106
Energy: 0.5266215515293632
Energy: 0.5185853163154054
Energy: 0.513614485958197
Energy: 1.4501139371416167
Energy: 1.4504077630962064
Energy: 1.4320256778815361
Energy: 1.4334147753304642
Energy: 1.4387028739331915
Energy: 1.4321423392045842
Energy: 1.4510384595952974
Energy: 1.4479645991427317
Energy: 1.4502564393273998
Energy: 1.4324786225856088
Energy: 1.432895675834522
Energy: 1.4387376037458672
Energy: 1.4321694655078563
Energy: 1.4500699499438172
Energy: 0.5038451832977586
Energy: 0.5069711586342726
Energy: 0.5159337047201895
Energy: 0.5235388965481027
Energy: 0.5269402677765614
Energy: 0.519156007126234
Energy: 0.512841702561219
Energy: 1.4505352301638783
Energy: 1.4509323906661649
Energy: 1.453096868598206
Energy: 1.4570199465135194
Energy: 1.450549400831384
Energy: 1.4545733613965939
Energy: 1.4517606125254219
Energy: 1.4466704712043212
Energy: 1.4486682366611103
Energy: 1.4324763466198338
Energy: 1.4328255975965352
Energy: 1.4349514906529965
Energy: 1.4322410444944131
Energy: 1.4325748745622942
Energy: 0.5038164951195139
Energy: 0.511859141025531
Energy: 0.5180759579163999
Energy: 0.5244574387101857
Energy: 0.5271032412462333
Energy: 0.5202640500141242
Energy: 0.5134092539001214
Energy: 0.5039948186797294
Energy: 0.5079243421270762
Energy: 0.5182329045725483
Energy: 0.5267330958072718
Energy: 0.5274714079831793
Energy: 0.5221805966005322
Energy: 0.5123791966266079
Energy: 1.4511242862024945
Energy: 1.4510059705673608
Energy: 1.43237009663228
Energy: 1.4329748569047076
Energy: 1.435185026785729
Energy: 1.432782180338285
Energy: 1.4328666006908264
Energy: 1.4511187216610604
Energy: 1.4517431680997004
Energy: 1.453984020022046
Energy: 0.5289543955493363
Energy: 0.5294101205396384
Energy: 0.5253076201243754
Energy: 1.4527337976892083
Energy: 0.5040030683754444
Energy: 0.5128762133903164
Energy: 0.516527514187754
Energy: 0.5247166276415327
Energy: 0.5270171100682358
Energy: 0.5196107445838546
Energy: 0.5136186691134629
Energy: 1.4473558103675184
Energy: 1.4466420105017117
Energy: 1.4320278629354883
Energy: 1.4325152154922136
Energy: 1.436150443641324
Energy: 1.4319789014968767
Energy: 1.4330563230976063
Energy: 1.4502111420914878
Energy: 1.4506181788885064
Energy: 1.4523134109476368
Energy: 1.434371044852362
Energy: 1.440516805631488
Energy: 1.453824123222862
Energy: 1.4521899672398613
Energy: 0.5037802529109185
Energy: 0.5073203202105853
Energy: 0.5150327849873778
Energy: 0.5233505987694933
Energy: 0.5266542477731492
Energy: 0.5176232756439463
Energy: 0.5130780702216614
Energy: 1.4503370489722534
Energy: 1.4505079343967453
Energy: 1.4522871191866122
Energy: 1.433908860072713
Energy: 1.439281861172069
Energy: 1.4320970189457127
Energy: 1.4513200382032927

minimum gb energy = 0.5037562310889868 eV
minimum distance =  2.73007599983986 Angstroms
sigma value = 23