Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003Potential5_Fe__MO_942420706858_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6582963466644287
cohesive_energy=4.015220655245625
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018549613178719636
Energy: 0.372356178009858
Energy: 0.27563581854955466
Energy: 0.372225171920063
Energy: 0.018549613177747278
Energy: 0.37235617800935794
Energy: 0.2756358185468876
Energy: 0.4891417754823652
Energy: -0.1930344809804896
Energy: 0.1329058140316481
Energy: -0.19244586291105134
Energy: 0.48914177548480997
Energy: -0.1930344809844068
Energy: 0.13290581403387064
Energy: 0.018549613178969672
Energy: 0.3723561780105803
Energy: 0.27563581854908237
Energy: 0.37222517192053534
Energy: 0.01854961317799731
Energy: 0.3723561780091356
Energy: 0.27563581854833225
Energy: 0.4891417754813928
Energy: -0.19303448098098966
Energy: 0.1329058140323982
Energy: -0.192445862912746
Energy: 0.48914177548480997
Energy: -0.19303448098512915
Energy: 0.13290581403362062
Energy: 0.018549613178719636
Energy: 0.3723561780105803
Energy: 0.27563581854883235
Energy: 0.37222517192128546
Energy: 0.018549613177747278
Energy: 0.3723561780086356
Energy: 0.27563581854811003
Energy: 0.48914177548189286
Energy: -0.1930344809804896
Energy: 0.1329058140323982
Energy: -0.19244586291299606
Energy: 0.48914177548556004
Energy: -0.19303448098415676
Energy: 0.13290581403362062

minimum gb energy = -0.19303448098512915 eV
minimum distance =  2.56394815119915 Angstroms
sigma value = 5


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

Energy: -2.3761712660226677
Energy: -2.860429649822689
Energy: -2.4857079609071793
Energy: -2.846426213084321
Energy: -2.376171265843569
Energy: -2.843902919901214
Energy: -2.4857078801058483
Energy: -3.064885620559181
Energy: -2.846215086698597
Energy: -3.0291552351510576
Energy: -3.4928939351108212
Energy: -3.0584303620507294
Energy: -2.8419559595379553
Energy: -3.0280192384618845
Energy: -2.9750651259843077
Energy: -3.2148453230781504
Energy: -2.9017635930398122
Energy: -3.234073703851631
Energy: -2.975076255757226
Energy: -3.215205050216912
Energy: -2.4619972420713587
Energy: -3.0934329950457693
Energy: -3.1589614299576345
Energy: -3.435940614877879
Energy: -3.41511588429994
Energy: -3.0771615565986914
Energy: -3.1591720359638957
Energy: -3.4360291553711457
Energy: -2.9267968496180634
Energy: -3.3947361778229572
Energy: -2.718094078728003
Energy: -3.2466826684417227
Energy: -2.9270622678003893
Energy: -3.358956654603621
Energy: -2.7044945560643954
Energy: -2.949091378297373
Energy: -2.834961122975266
Energy: -3.029093734833794
Energy: -3.2347351764923395
Energy: -2.949091380691685
Energy: -2.8437299724922007
Energy: -3.02909373485166
Energy: -2.6763859777551136
Energy: -3.2898132232550683
Energy: -3.2421815624413775
Energy: -2.633490790575731
Energy: -2.6457830792723955
Energy: -3.289756942450181
Energy: -3.2303736115895316
Energy: -2.5174667969949858
Energy: -3.594362991261846
Energy: -2.9738605020787094
Energy: -3.000884631477453
Energy: -2.5594889380394763
Energy: -3.5375653174064476
Energy: -2.9644520605437763
Energy: -3.1875742351206555
Energy: -2.9341332310636803
Energy: -3.116902825623686
Energy: -3.0418641913497773
Energy: -3.1875740965865855
Energy: -2.863525409956943
Energy: -3.120550787112648
Energy: -3.1424342793434983
Energy: -3.080748361077348
Energy: -3.418653386506372
Energy: -4.558348411953519
Energy: -3.142440468708024
Energy: -3.0816853392721333
Energy: -3.418653815844624
Energy: -2.4863348801795255
Energy: -3.2628729411612394
Energy: -2.783382003839643
Energy: -2.7235602056433947
Energy: -2.4422373230326926
Energy: -3.2630063415658026
Energy: -2.7719472194891748
Energy: -2.8500346188150663
Energy: -3.9833292596871717
Energy: -2.828450451933654
Energy: -2.883487768616423
Energy: -2.8568276185303425
Energy: -3.971052681609875
Energy: -2.8284401976244693
Energy: -2.6581185416533524
Energy: -1.3606830240122378
Energy: -2.892524771577983
Energy: -2.9309719648090784
Energy: -2.6581185415578297
Energy: -1.3607008204672035
Energy: -2.8884605611414718
Energy: -3.1844961041003925
Energy: -3.475770450028966
Energy: -2.7378627225049157
Energy: -3.5137001339251928
Energy: -3.18449610841439
Energy: -3.475545333225076
Energy: -2.7351172832424995
Energy: -2.9239299328236665
Energy: -3.4187429450935136
Energy: -3.027529939122597
Energy: -3.3691711012371237
Energy: -2.9239276729089156
Energy: -3.4204412308821133
Energy: -3.0312336190135722
Energy: -3.2172809126442523
Energy: -2.663400890832892
Energy: -2.4143739916817473
Energy: -3.5251788135082935
Energy: -3.1139543114456805
Energy: -2.479475906322328
Energy: -2.415089344929355
Energy: -2.659074203234556
Energy: -2.6839009061376493
Energy: 0.4003420413733616
Energy: -3.0904809473221593
Energy: -2.658426898831159
Energy: -2.87062930987816
Energy: 0.44134221039350946
Energy: -2.8445365628571264
Energy: -3.5739254855532057
Energy: 0.18535244053706745
Energy: -3.264276744035917
Energy: -2.8445322239044755
Energy: -3.2869909371061716
Energy: 0.18535245429705877
Energy: -2.7732369651926354
Energy: -3.1944368599879045
Energy: -3.0298948220706365
Energy: -3.9669632393287504
Energy: -2.773236965174715
Energy: -3.1642890727880433
Energy: -3.0504120155630594
Energy: -2.888504134899646
Energy: -3.0834861117188246
Energy: -2.8617953084442647
Energy: -2.7274521348664145
Energy: -2.888504128245043
Energy: -3.5520160419597078
Energy: -2.864221860113349
Energy: -3.0893231152282397
Energy: -3.421691916416756
Energy: -2.629454188957536
Energy: -4.161795136567244
Energy: -3.104185963047926
Energy: -3.4050560565166035
Energy: -2.629454188951563
Energy: -2.832943181307465
Energy: -2.7445800949666075
Energy: -3.010302026570529
Energy: -3.7606837579457055
Energy: -2.8387262656894126
Energy: -2.74223975821394
Energy: -3.0098697849410865
Energy: -2.924414496146662
Energy: -3.2400718202452095
Energy: -2.4352434100107003
Energy: -3.2645747531485054
Energy: -2.915879270585956
Energy: -3.24665772413864
Energy: -2.4352434103629776
Energy: -2.7473096552244485
Energy: -3.507634255967782
Energy: -2.8692861936062126
Energy: -3.1536893682104097
Energy: -2.7776710355752234
Energy: -3.507581752602244
Energy: -2.869123193932758
Energy: -3.1044871443703523
Energy: -3.0450441579389325
Energy: -3.3401804988954744
Energy: -3.3271926918888517
Energy: -3.1040849077271773
Energy: -3.17660715566893
Energy: -3.523413457562747
Energy: -3.565372318285651
Energy: -3.288437556869718
Energy: -3.1780867338339505
Energy: -2.9493477671533843
Energy: -3.5939633822784933
Energy: -3.16297205327888
Energy: -3.1849419639657124
Energy: -2.3017323940777694
Energy: -3.070096320415742
Energy: -2.7349345627948543
Energy: -2.941977849523778
Energy: -3.0167075768627654
Energy: -3.0705321621126997
Energy: -2.7349345628873896
Energy: -2.650575674953322
Energy: -2.805767481693805
Energy: -2.6659793444645734
Energy: -2.901837933643492
Energy: -2.9536642718105806
Energy: -2.805767550538401
Energy: -2.6659789716678772
Energy: -3.013960476153744
Energy: -2.4593993186031478
Energy: -3.091982979255618
Energy: -2.9504282877319636
Energy: -3.014528414578752
Energy: -2.5665353081160984
Energy: -3.097669424303709
Energy: -2.781515726493926
Energy: -3.3577589902076603
Energy: -3.3508673193178473
Energy: -3.3637687055896284
Energy: -2.781994722186372
Energy: -3.332531559536654
Energy: -3.35086733718879
Energy: -3.1195070646010534
Energy: -3.010659217129182
Energy: -2.578417777940283
Energy: -2.918691158020238
Energy: -3.119526582776841
Energy: -3.0105255521983536
Energy: -2.5784177779432698
Energy: -2.9768162134570426
Energy: -2.8153439767942507
Energy: -2.4282611502296394
Energy: -2.722008717512163
Energy: -2.9974999829142464
Energy: -2.8282139169469214
Energy: -2.343727255507812
Energy: -2.686592557001611
Energy: -2.984815849286432
Energy: -2.79302491982608
Energy: -2.983003793850824
Energy: -2.6866006027578173
Energy: -2.97870116132131
Energy: -2.793024894957273
Energy: -3.179461802492203
Energy: -3.164582266875892
Energy: -2.8166186877290427
Energy: -2.700268406382559
Energy: -3.1470277684685475
Energy: -3.4193120712377705
Energy: -2.8166186858094115
Energy: -3.1810087880652937
Energy: -2.965364953682785
Energy: -3.036846808365823
Energy: -3.1291805408791715
Energy: -3.1747830341853196
Energy: -3.559850755357091
Energy: -3.036846752899074
Energy: -3.0042094038663016
Energy: -2.444481295585023
Energy: -2.741368152940475
Energy: -3.5177560093148528
Energy: -3.0045721631106534
Energy: -2.7113927386560466
Energy: -2.7413734346968246
Energy: -3.208363891325554
Energy: -2.8343383241080837
Energy: -3.1894506723689493
Energy: -3.0486230154042526
Energy: -3.207288946374333
Energy: -2.8343944602915703
Energy: -3.054519600014106
Energy: -3.0525111319264213
Energy: -3.329403676481491
Energy: -2.526421884956965
Energy: -3.549825549777969
Energy: -3.0525057259423027
Energy: -3.3710502652251284
Energy: -2.522718711581304
Energy: -2.770626569673293
Energy: -2.859754992394003
Energy: -2.6223750043736955
Energy: -2.8919823573823207
Energy: -2.770626636881839
Energy: -2.8597549692507402
Energy: -2.6261161859729394
Energy: -2.810584217512942
Energy: -4.183564360329501
Energy: -2.3319530940374165
Energy: -3.211971342477408
Energy: -2.8105066789942095
Energy: -4.1426947769315055
Energy: -1.651507413980553
Energy: -3.78207894587819
Energy: -3.2094685833397345
Energy: -2.7934813573084933
Energy: -3.394811916368075
Energy: -3.6406969970745067
Energy: -3.1987682406116753
Energy: -2.8230628808429565
Energy: -3.2776315914479928
Energy: -2.9737922721429815
Energy: -2.355694813770394
Energy: -2.955577169749888
Energy: -3.2779330026569227
Energy: -2.973902044890119
Energy: -2.3556948137614335
Energy: -2.7983268447900054
Energy: -3.1275027478526645
Energy: 0.1237611641573113
Energy: -2.84363603874692
Energy: -2.748365097974761
Energy: -3.118028268066947
Energy: 0.12096750420328937
Energy: -2.9790554661842577
Energy: -2.779772502291216
Energy: -2.982297311323966
Energy: -3.01673892937692
Energy: -2.9885462160692997
Energy: -2.9866617300609115
Energy: -2.9822967865884733
Energy: -2.851214656819731
Energy: -2.6369261934906123
Energy: -2.745839394141236
Energy: -3.288128826071679
Energy: -2.8513131587162306
Energy: -1.5389401775718832
Energy: -2.745838260755063
Energy: -3.2763262362514856
Energy: -2.974349128030686
Energy: -2.8052695335364413
Energy: -2.7970199354253857
Energy: -3.2379471298773623
Energy: -3.2692479592366674
Energy: -2.8052695289328895
Energy: -3.2199026696601045
Energy: -3.7211394596530294
Energy: -2.548105436695592
Energy: -3.732938851322106
Energy: -3.219902653249101
Energy: -3.7274098749085693
Energy: -2.5481054367045526

minimum gb energy = -4.558348411953519 eV
minimum distance =  2.24625465073408 Angstroms
sigma value = 401


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

Energy: -3.0375184215834645
Energy: -3.2244176003764937
Energy: -3.3129754807843064
Energy: -2.9960975388967745
Energy: -3.0378527933139194
Energy: -3.4261371938378633
Energy: -3.3221430554982705
Energy: -3.3090493030360983
Energy: -2.888135966865759
Energy: -3.378744461955535
Energy: -2.5934322493614697
Energy: -3.3035383825480746
Energy: -2.5992543748895027
Energy: -3.1744694182422104
Energy: -3.233162431702997
Energy: -3.201065416701463
Energy: -2.731934438658464
Energy: -2.703461488035083
Energy: -3.2179217801983953
Energy: -3.200863982321561
Energy: -2.737137866688477
Energy: -2.704727697967401
Energy: -2.39939817329499
Energy: -3.2822521270833245
Energy: -2.8371315477178607
Energy: -2.812502305154617
Energy: -3.1766371286605777
Energy: -3.295047455974019
Energy: -2.6586822885129884
Energy: -3.5138973140755687
Energy: -3.3014646242174552
Energy: -3.105812062779265
Energy: -2.790644581467382
Energy: -3.5140473568094626
Energy: -3.3008875925904766
Energy: -3.196842659053003
Energy: -3.3698652679076595
Energy: -3.1386110677803094
Energy: -3.664252457088941
Energy: -3.189356553468824
Energy: -3.353124117024585
Energy: -3.138610282103395
Energy: -2.611061198728635
Energy: -3.2017831094072275
Energy: -2.5718987052135147
Energy: -2.992102456290545
Energy: -2.6110629453749903
Energy: -3.206308150125865
Energy: -2.5614827236504842
Energy: -2.679926682943948
Energy: -3.1212896083296564
Energy: -3.471384908273771
Energy: -2.7588226491120067
Energy: -2.756701528504578
Energy: -3.1325839316563147
Energy: -3.2975779256038953
Energy: -3.277445709851669
Energy: -2.600711279504654
Energy: -2.793874560144303
Energy: -2.8750108101610428
Energy: -3.2765748696931825
Energy: -2.6007112432275608
Energy: -2.7950918521344774
Energy: -2.744611941518585
Energy: -3.1186785333034646
Energy: -2.7896161528117824
Energy: -3.8774645882854593
Energy: -2.734907919112696
Energy: -3.1186598347423917
Energy: -2.790328443532379
Energy: -2.650780967768911
Energy: -2.959970576287703
Energy: -3.069289396093539
Energy: -3.85554701018414
Energy: -2.6507802632944872
Energy: -2.9603885283968943
Energy: -3.0694227907562137
Energy: -3.243058616701715
Energy: -2.996561589729119
Energy: -3.209246363505627
Energy: -3.341066843424115
Energy: -3.242199479033538
Energy: -2.996562050480863
Energy: -3.2096996286608124
Energy: -3.0903081200590963
Energy: -2.7634288375921603
Energy: -2.732749103584664
Energy: -3.3432058946601413
Energy: -2.8778100183669753
Energy: -2.76338935676316
Energy: -2.705706318502148
Energy: 0.28015880027786183
Energy: -2.9095643813595737
Energy: -3.33571983677981
Energy: -2.9366012855791768
Energy: 0.2801587991120892
Energy: -3.422319768956423
Energy: -3.335719816440245
Energy: -3.3152543760560023
Energy: -2.6297642973685864
Energy: -3.175829296519973
Energy: -3.0990665518259624
Energy: -3.2259921970457066
Energy: -2.725351969692502
Energy: -3.2621962104751208
Energy: -3.2875875053365
Energy: -3.2008488324059496
Energy: -2.6912926658570013
Energy: -2.703659283732446
Energy: -3.2866702987193697
Energy: -3.1993640859160175
Energy: -2.7340624710817787
Energy: -2.9226715729019586
Energy: -3.245735994600836
Energy: -3.2942830024413854
Energy: -2.8375603447301745
Energy: -2.9236464743375494
Energy: -3.2625270894945806
Energy: -3.2385382854285676
Energy: -2.663921464240177
Energy: -3.235281811431539
Energy: -3.301230684577015
Energy: -3.1058118848975913
Energy: -2.954380803891422
Energy: -3.08090565983001
Energy: -3.301234564816815
Energy: -3.281153896287684
Energy: -3.368687791844861
Energy: -3.0154699741801574
Energy: -3.6900120231180358
Energy: -3.366918428991214
Energy: -3.4310466027844564
Energy: -3.002701228390799
Energy: -3.046297087902967
Energy: -3.2277050469383677
Energy: -3.331552300138565
Energy: -2.9231706891368794
Energy: -3.4339393861136553
Energy: -3.195635731964904
Energy: -3.3315522829471167
Energy: -3.0972397369303932
Energy: -3.379047441762283
Energy: -2.7015746414067934
Energy: -3.4488913418634515
Energy: -3.0473008465126443
Energy: -3.1563097392610913
Energy: -2.6563533353055617
Energy: -3.277339997011175
Energy: -2.600711320417715
Energy: -2.9993694370836357
Energy: -3.043293612430147
Energy: -3.277629618379137
Energy: -2.6007113113662097
Energy: -2.9993185086564043
Energy: -2.930470290638372
Energy: -3.1186383577462498
Energy: -3.207389955574882
Energy: -3.879149227555114
Energy: -2.7460186821689705
Energy: -3.118633818879156
Energy: -3.16408683187494
Energy: -2.650780403428291
Energy: -2.8772713483742702
Energy: -3.286314409611558
Energy: -3.83344232866365
Energy: -2.6507803918521167
Energy: -2.877392940417598
Energy: -3.3133750565903486
Energy: -2.883704188741907
Energy: -2.9965492414584385
Energy: -2.8238341512792884
Energy: -3.3391988223112823
Energy: -2.8886958258933437
Energy: -2.996758101504166
Energy: -2.8238335551923828
Energy: -3.0158986888429467
Energy: -2.7768520654138253
Energy: -2.702484723348376
Energy: -3.5547598877848583
Energy: -3.0101311917414795
Energy: -2.7591438484318886
Energy: -3.4132213487450414
Energy: -3.066468805880055
Energy: -3.038645430925239
Energy: -3.1505893251166954
Energy: -2.676671509119227
Energy: -3.067112582047788
Energy: -2.894174956915182
Energy: -3.1443870316874616
Energy: -3.2918929583052767
Energy: -2.7183365400729427
Energy: -3.1324257195567444
Energy: -2.5818338802297283
Energy: -3.3666452131077906
Energy: -2.608120897327204
Energy: -3.052091300714138
Energy: -3.2656957825674735
Energy: -3.19917037993385
Energy: -2.7126562643174488
Energy: -2.7034285161601583
Energy: -3.2667237605277224
Energy: -3.2006082431388174
Energy: -2.7517111879644536
Energy: -2.7047777112180142
Energy: -2.347088477247713
Energy: -3.2735411118709226
Energy: -2.8376414292593717
Energy: -2.9378863679017755
Energy: -3.1683530322269253
Energy: -3.3262545569347
Energy: -3.016115557847001
Energy: -3.5139026345698845
Energy: -3.3003699964809745
Energy: -3.105811966947289
Energy: -2.9384825375836017
Energy: -3.5145796803797467
Energy: -3.301700801521394
Energy: -3.1763821411258606
Energy: -3.385461279053328
Energy: -3.002205336005185
Energy: -3.671564704340698
Energy: -3.1901895401588494
Energy: -3.3530148942150726
Energy: -3.004141023687572
Energy: -2.611054840081443
Energy: -3.2015076844442363
Energy: -3.1703124423468108
Energy: -2.8701399383820223
Energy: -2.6110590746272506
Energy: -3.2275871182243145
Energy: -3.1703036142962664
Energy: -2.6915065754272636
Energy: -3.128153760040822
Energy: -2.7653073588933497
Energy: -2.759598894494275
Energy: -3.1171988447188452
Energy: -3.135173000707578
Energy: -2.777041068168636
Energy: -3.2772166595278867
Energy: -2.600711428869525
Energy: -3.035465462331706
Energy: -3.1815436012906537
Energy: -3.2771422030657997
Energy: -2.600711414260382
Energy: -2.9796111508391365
Energy: -3.0146975562536196
Energy: -3.1185646885944656
Energy: -3.2493572836622024
Energy: -3.9656893035624488
Energy: -2.8481745200078734
Energy: -3.1185965151117196
Energy: -3.249397830943901
Energy: -2.650780468845694
Energy: -2.9617472106002656
Energy: -3.3127811697006515
Energy: -3.63706923612346
Energy: -2.650780485233948
Energy: -2.957572828528502
Energy: -3.2611556852876253
Energy: -3.242267290911492
Energy: -2.9965390562399548
Energy: -2.9104166785891827
Energy: -3.3340341478969915
Energy: -3.2422092001995986
Energy: -2.996552078916236
Energy: -2.947023343401247
Energy: -2.9221108240455456
Energy: -2.7816476701519117
Energy: -2.6434291826213245
Energy: -3.1873091952675354
Energy: -3.180151207764261
Energy: -2.763295637318383
Energy: -2.7104961591261394
Energy: 0.2801587991659642
Energy: -2.7989873108330228
Energy: -3.141202272042872
Energy: -2.8817562705775566
Energy: 0.2801588001457015
Energy: -3.4182541614098834
Energy: -3.148392651968678
Energy: -3.4663836344597527
Energy: -2.8865707996385326
Energy: -3.322056910314221
Energy: -3.099380140254877
Energy: -2.8701115186933537
Energy: -2.711779221246968
Energy: -3.2899703736841044

minimum gb energy = -3.9656893035624488 eV
minimum distance =  2.20061638330146 Angstroms
sigma value = 311


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

Energy: -0.7697131455667556
Energy: -1.577753447352563
Energy: -1.2401554292965236
Energy: -1.7340658149830022
Energy: -0.7694134592058134
Energy: -1.5876115497008498
Energy: -1.2401554293649966
Energy: -0.9732081763955455
Energy: -1.1574381740657502
Energy: -1.047135124382967
Energy: -1.4113643512318106
Energy: -0.9732081760644966
Energy: -1.156805236707884
Energy: -1.0484727335381876
Energy: -1.167365190751782
Energy: -1.3065984476092012
Energy: -1.0313220200401427
Energy: -1.5799659751979298
Energy: -1.1673657551707985
Energy: -1.3065984476315156
Energy: -1.0313220371777412
Energy: -0.9564571621090512
Energy: -1.5893321416223956
Energy: -1.1132435646558998
Energy: -1.206108559011336
Energy: -0.956456877243162
Energy: -1.5893479128179366
Energy: -1.113237937696967
Energy: -1.1500699367360818
Energy: -1.18560783839022
Energy: -0.8999195767677022
Energy: -1.1499882197298175
Energy: -1.1500701193101088
Energy: -1.185607833980209
Energy: -0.899919576770834
Energy: -0.8907604364165022
Energy: -1.2350233630811616
Energy: -1.1084731481135663
Energy: -0.4514468750673704
Energy: -0.8907604364157191
Energy: -1.2147803096129508
Energy: -1.1084732468770635
Energy: -1.046745350128535
Energy: -1.6132331096735084
Energy: -0.9145092991304227
Energy: -0.978703609002322
Energy: -1.0467453593719238
Energy: -1.6105087455317504
Energy: -0.9145092991296396
Energy: -1.0882295359111833
Energy: -1.610892619397957
Energy: -1.2219132222637172
Energy: -1.243626967699127
Energy: -1.0882295357942022
Energy: -1.5113639388322124
Energy: -1.221913222209729
Energy: -1.5115885224018089
Energy: -1.197788463648216
Energy: -1.1334804542044987
Energy: -1.379794716796586
Energy: -1.5117075595043028
Energy: -1.1985744333942745
Energy: -1.1334804164012933
Energy: -1.410606446146632
Energy: -1.1649565797993493
Energy: -0.9166037452469469
Energy: -1.48486390517061
Energy: -1.4106166297771319
Energy: -1.164956579710911
Energy: -0.9166037501061621
Energy: -1.044684146307029
Energy: -1.474280289146108
Energy: -1.0808693246274135
Energy: -1.1126889942443319
Energy: -1.0446841443684964
Energy: -1.47428038389207
Energy: -1.0808692342515673
Energy: -0.9521288302426713
Energy: -1.3733571413795964
Energy: -1.3773673074345114
Energy: -1.6129840369907045
Energy: -0.9521288302356247
Energy: -1.3736018292731778
Energy: -1.375585931667967
Energy: -1.201791803135765
Energy: -1.6313089854067968
Energy: -1.0697997001110413
Energy: -1.3510881116776678
Energy: -1.2017919319021775
Energy: -1.6313851101348975
Energy: -1.0697997001079094
Energy: -1.4270802628926413
Energy: -1.1660741647617316
Energy: -1.0238653361319596
Energy: -1.529902662441577
Energy: -1.4263769333542562
Energy: -1.166074164689735
Energy: -1.023865335880737
Energy: -0.8442562692640904
Energy: -1.6741167998949806
Energy: -1.1824747533869147
Energy: -1.3716735069755739
Energy: -0.8442562688344244
Energy: -1.6563961032628434
Energy: -1.1824747446780373
Energy: -1.2537461502094684
Energy: -1.4863153107957126
Energy: -0.8822497098138802
Energy: -1.5310596933883365
Energy: -1.253776575946981
Energy: -1.476899062475197
Energy: -0.8822497003544664
Energy: -1.0431274240408295
Energy: -1.0868984412895084
Energy: -1.223591502453332
Energy: -1.4749690156951818
Energy: -1.0431274240400465
Energy: -1.0868995040117915
Energy: -1.2221395095523908
Energy: -1.433255830830264
Energy: -1.1440431563697495
Energy: -0.8945895004180688
Energy: -1.2552039031419884
Energy: -1.405731458891885
Energy: -1.144043152534145
Energy: -0.8945895005182517
Energy: -1.0938232989121035
Energy: -1.8256235474242437
Energy: -1.1968315965918068
Energy: -0.9629145245012014
Energy: -1.0938234471819288
Energy: -1.832915528229316
Energy: -1.1968315966465783
Energy: -1.151007290076187
Energy: -2.2711680797726204
Energy: -0.9824154743860863
Energy: -1.3283949895577496
Energy: -1.1510945409269644
Energy: -2.2711180870856316
Energy: -0.982415474745286
Energy: -1.0822389568596447
Energy: -1.0896075210329974
Energy: -0.8507290850036444
Energy: -1.7872796372087316
Energy: -1.0822389564362422
Energy: -1.0896075210329974
Energy: -0.8507290789196337
Energy: -1.009257372094913
Energy: -1.0335517464065915
Energy: -1.221327501815809
Energy: -1.14305889920566
Energy: -1.0092573727702852
Energy: -1.033809041529847
Energy: -1.2213101003532216
Energy: -1.0711531755216597
Energy: -1.4631574594314904
Energy: -1.2566625523037964
Energy: -1.8012720578654917
Energy: -0.9191242714485506
Energy: -1.4632639850300728
Energy: -1.2566625301535586
Energy: -0.9903544742877451
Energy: -1.3472264922598565
Energy: -0.9355140339178216
Energy: -1.483049777656759
Energy: -0.9903544745710336
Energy: -1.347226492255159
Energy: -0.9355140282368563
Energy: -0.7087703824882019
Energy: -1.1636874672091475
Energy: -1.3334857485051237
Energy: -1.5531410836124906
Energy: -0.7277267038943055
Energy: -1.1636874588191832
Energy: -1.3334879201413297
Energy: -1.069709374097921
Energy: -1.1014542943528731
Energy: -0.9916675354950905
Energy: -1.106229696271515
Energy: -1.0697092421310255
Energy: -1.1014542950775716
Energy: -0.9916675355666955
Energy: -0.8139741094982774
Energy: -1.5695068983315925
Energy: -1.1883106186369463
Energy: -1.5699776333542548
Energy: -0.8139741121329312
Energy: -1.543363989718492
Energy: -1.1883106186357717
Energy: -1.0601404872541742
Energy: -0.9790567741836229
Energy: -1.0396690397751713
Energy: -0.7772242285899746
Energy: -1.0604963549236868
Energy: -0.9790568040159602
Energy: -1.0396690397755628
Energy: -0.8571944276189337
Energy: -1.5365681690725967
Energy: -1.0654007622860713
Energy: -1.360255787445785
Energy: -0.8571944276263362
Energy: -1.5365681691637756
Energy: -1.0654007625920656
Energy: -1.2056895047550824
Energy: -1.662181022763064
Energy: -1.0369327321113326
Energy: -1.0467109549743323
Energy: -1.2049583920136322
Energy: -1.6621073386747203
Energy: -1.0369327321074178
Energy: -1.0205497881092644
Energy: -0.9688127868488172
Energy: -1.0522784407219086
Energy: -1.7814675672449514
Energy: -1.019457940666594
Energy: -0.9688127867137926
Energy: -1.052278440725432
Energy: -0.9307247478589876
Energy: -1.3075590727739281
Energy: -1.1069783696463598
Energy: -1.3774712526029462
Energy: -0.9307247478585962
Energy: -1.2552300415694038
Energy: -1.1069783694702653
Energy: -1.069717629336163
Energy: -1.5134114539710564
Energy: -1.0851516936469265
Energy: -1.1095916776742114
Energy: -1.0697176294097612
Energy: -1.5417679907592374
Energy: -1.0851516936469265
Energy: -1.0179599596979292
Energy: -1.5549017702241763
Energy: -0.9267691253437561
Energy: -1.403214274820733
Energy: -1.0179599592792246
Energy: -1.5152934576882753
Energy: -0.9267691249277917
Energy: -1.1456472115250493
Energy: -1.109888852536166
Energy: -0.9309570227840289
Energy: -1.00197601358655
Energy: -1.1456750112302356
Energy: -1.109876479156332
Energy: -0.930957022783246
Energy: -1.0217455740216654
Energy: -1.2985682064366564
Energy: -1.1157345005411663
Energy: -0.9483637095750872
Energy: -1.0217455740200998
Energy: -1.2985655282942037
Energy: -1.1159054528221084

minimum gb energy = -2.2711680797726204 eV
minimum distance =  2.22990009442097 Angstroms
sigma value = 39


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

Energy: 0.6384231601695485
Energy: -0.3984532207940833
Energy: -2.0492433349757517
Energy: -0.3963388484687099
Energy: 0.6384231601764789
Energy: -0.39844756843273205
Energy: -2.0492433353391943
Energy: 0.7951216727660407
Energy: -0.34755752446789356
Energy: 0.2896571953288972
Energy: -0.8237564878101177
Energy: 0.7951216727614205
Energy: -0.347557524279011
Energy: 0.28965719532381495
Energy: 0.6266259382082949
Energy: 0.7111567641033076
Energy: -1.3036224549372473
Energy: 0.09362442707544158
Energy: 0.6266259382050607
Energy: 0.7111567640936052
Energy: -1.3127481889979045
Energy: 0.7937814330822944
Energy: -0.35368623119264453
Energy: -1.17723472422556
Energy: 0.46983136653012775
Energy: 0.7937814330767503
Energy: -0.3536862311635793
Energy: -1.9688761892323583
Energy: 0.6708877149151877
Energy: -1.662648496985719
Energy: -1.5183431152737326
Energy: 0.12112073475996875
Energy: 0.6708877149161119
Energy: -1.704569815881519
Energy: -1.5216259446667415
Energy: 0.8069279938092668
Energy: -1.7420541481185046
Energy: -1.0512861209612614
Energy: 0.47313082267121304
Energy: 0.8069279938129629
Energy: -1.6712093622806883
Energy: -1.057906490434971
Energy: -0.35539923652877
Energy: -0.13955872560641705
Energy: -1.948982662312277
Energy: -0.2533021801601916
Energy: -2.026478436541026
Energy: -0.13909533086684747
Energy: -0.34239540320147394
Energy: 0.8075291524758336
Energy: 0.4425015618390332
Energy: 0.5044898888559192
Energy: 0.36016059329180555
Energy: 0.8075291524767576
Energy: 0.4425015618385712
Energy: 0.5044898888804064
Energy: -2.172640298182275
Energy: -0.2616656558674022
Energy: -1.5543800533034706
Energy: -0.20000324286687068
Energy: -2.1890586490964976
Energy: -0.2616535719144055
Energy: -1.5543800318160899
Energy: 0.8071479407721127
Energy: 0.4786254850715542
Energy: -1.047895117478206
Energy: 0.35048031535622626
Energy: 0.8071479407716506
Energy: 0.47862548506462393
Energy: -1.072479471392026
Energy: 0.671460022305275
Energy: 0.09172267513911914
Energy: -1.6592587939129875
Energy: -0.19968531370950696
Energy: 0.671460022302965
Energy: 0.09541836672405843
Energy: -1.6592590208267295
Energy: 0.7937327459261915
Energy: 0.4704244211040156
Energy: -1.9724447522362358
Energy: -0.3476284360313083
Energy: 0.7937327459017044
Energy: 0.470424421090617
Energy: -2.144477610639379
Energy: 0.626618149293439
Energy: 0.09332614797039959
Energy: -1.8367772049970112
Energy: -1.9359765415189367
Energy: 0.626618149297135
Energy: 0.09332614804659106
Energy: -1.8364786635749406
Energy: 0.7953118252275319
Energy: -2.4991276531199142
Energy: 0.30744759933449195
Energy: -0.34803217199064146
Energy: 0.7953118252492468
Energy: -2.3574624543666127
Energy: 0.3074475993432703
Energy: 0.6384231601630803
Energy: -0.3984564727262943
Energy: -2.1272370642823004
Energy: -0.3963392050589494
Energy: 0.6384231601723207
Energy: -0.398455987644557
Energy: -2.049243335573817
Energy: 0.7951216727651167
Energy: -0.34755752418202857
Energy: 0.289657195324739
Energy: -2.926948522707242
Energy: 0.7951216727623446
Energy: -0.34755752427208064
Energy: 0.28965719532381495
Energy: 0.6266259382027506
Energy: 0.7111567641028457
Energy: -1.291635677701993
Energy: 0.09362442821335742
Energy: 0.6266259382027506
Energy: 0.7111567640922192
Energy: -1.3082616795763387
Energy: 0.7937814330809084
Energy: -0.353686231202347
Energy: -1.1789416357057887
Energy: 0.46983136654352636
Energy: 0.7937814330772124
Energy: -0.35368623119680276
Energy: -1.178883236746487
Energy: 0.6708877149105676
Energy: -1.6646127095764673
Energy: -1.4848246281849735
Energy: 0.12112045771383513
Energy: 0.6708877149105676
Energy: -1.8292312556052295
Energy: -1.5245548313763666
Energy: 0.806927993812039
Energy: -1.6107026097509751
Energy: -1.053798100290542
Energy: 0.4731308226721371
Energy: 0.8069279938129629
Energy: -1.639624876839281
Energy: -1.0534462598569023
Energy: -0.3568272783621773
Energy: -0.13956566348967392
Energy: -0.33988300550394335
Energy: -0.2533015286995925
Energy: -0.32458727283606875
Energy: -0.13909535354384858
Energy: -1.9628384930401317
Energy: 0.8075291524758336
Energy: 0.44250156183348893
Energy: 0.5044898890378715
Energy: 0.36016059329457767
Energy: 0.8075291524786057
Energy: 0.4425015618404193
Energy: 0.504489889181938
Energy: -0.3580511421443603
Energy: -0.261653407891683
Energy: -2.1592273547894956
Energy: -0.20000295326350895
Energy: -1.8615447299708825
Energy: -0.26165726468177397
Energy: -2.351173747549747
Energy: 0.8071479407711885
Energy: 0.4786254850701682
Energy: -1.0566102561232962
Energy: -1.6892210386723905
Energy: 0.8071479407730366
Energy: 0.4786254850655479
Energy: -1.0655395672075672
Energy: 0.671460022305275
Energy: 0.09491643743167036
Energy: -1.8617378142386425
Energy: -0.19968800909628698
Energy: 0.671460022301117
Energy: 0.09490965249216526
Energy: -1.6592587936525336
Energy: 0.7937327459229574
Energy: 0.4704244211095599
Energy: -1.2282170326835404
Energy: -0.34762843601933774
Energy: 0.7937327459021664
Energy: 0.4704244211026296
Energy: -1.1791577069653338
Energy: 0.626618149294825
Energy: 0.09332614767021191
Energy: -2.21798188850033
Energy: -1.818407231684398
Energy: 0.6266181492906668
Energy: 0.09332614844791937
Energy: -1.7324370393947213
Energy: 0.7953118252284558
Energy: -2.4123243542617123
Energy: 0.30744759934049826
Energy: -0.34803217199479963
Energy: 0.7953118252501707
Energy: -2.3563892146334084
Energy: 0.3074475993428083
Energy: 0.6384231601681626
Energy: -0.3984564735838894
Energy: -2.007766013881693
Energy: -0.39633872182311214
Energy: 0.6384231601750928
Energy: -0.398457206994674
Energy: -2.2076666059797416
Energy: 0.7951216727660407
Energy: -0.34755752421252184
Energy: 0.2896571953242769
Energy: -2.4952258379201706
Energy: 0.7951216727614205
Energy: -0.3475575244942288
Energy: 0.28965719532381495

minimum gb energy = -2.926948522707242 eV
minimum distance =  2.2572457794737 Angstroms
sigma value = 21


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

Energy: -0.41998393511675747
Energy: -1.1082971804656268
Energy: -1.497123168118415
Energy: -1.1286285233921125
Energy: -0.41998267859800387
Energy: -1.108297180472918
Energy: -1.497123168122341
Energy: -0.40105603085345687
Energy: -1.3016698663421649
Energy: 0.42240036807139497
Energy: -1.3763673651253234
Energy: -0.4010560308568221
Energy: -1.301669870094426
Energy: 0.42240036807532105
Energy: -1.007354829477727
Energy: -1.3367987381108117
Energy: -1.2903230947683
Energy: -0.33615455592072324
Energy: -1.0073548293375856
Energy: -1.3367987381169555
Energy: -1.290323094767739
Energy: -1.137560070475372
Energy: -1.2599112223471582
Energy: -1.1161359835086029
Energy: -1.0799903013541974
Energy: -1.1377303573759656
Energy: -1.2599112222681006
Energy: -1.1161359835114073
Energy: -1.1958584250185322
Energy: -1.432578935001127
Energy: -1.2115020353173154
Energy: -1.2727261466294324
Energy: -1.1975961001843058
Energy: -1.4325789308480459
Energy: -1.2115020353946906
Energy: -1.0683874411550747
Energy: -1.0427720654775137
Energy: -1.0543507807876862
Energy: -1.1160303475015638
Energy: -1.0683874411550747
Energy: -1.0427720654814399
Energy: -1.0543507807815167
Energy: -0.5764410887853513
Energy: -1.432137698480783
Energy: -1.0353717410867571
Energy: -1.2762854258414225
Energy: -0.5764410887881302
Energy: -1.4321376983720249
Energy: -1.035371741096292
Energy: -0.9999646921518182
Energy: -1.0861978783700643
Energy: -1.1223116119516403
Energy: -1.1057399988687369
Energy: -0.9999646921512573
Energy: -1.086197878370625
Energy: -1.122311611459424
Energy: -1.2374310059729812
Energy: -1.272437806765185
Energy: -0.6951019364088303
Energy: -1.2877555462993737
Energy: -1.2374310059601068
Energy: -1.272437806767428
Energy: -0.6950185052480551
Energy: -1.1135418468942462
Energy: -1.415538801470933
Energy: -1.348075532960339
Energy: -1.0943346765705604
Energy: -1.1135418468976115
Energy: -1.4155388019491528
Energy: -1.3480755329552914
Energy: -1.0538462888367943
Energy: -1.2698395359073031
Energy: -1.254018610859144
Energy: -1.3283638438689789
Energy: -1.0538376621761967
Energy: -1.2698395358887944
Energy: -1.2540186870360779
Energy: -1.156095526154856
Energy: -0.8724609722660694
Energy: -1.0888201799438733
Energy: -1.0142145425655074
Energy: -1.156095526150369
Energy: -0.8724609722587781
Energy: -1.0888201799494819
Energy: -0.9450502964007865
Energy: -1.1530139251601679
Energy: -0.9720530460387207
Energy: -1.2633962477440515
Energy: -0.9450502964013474
Energy: -1.1530139250828184
Energy: -0.9720530460420858
Energy: -0.9690288377846271
Energy: -1.0715176790205927
Energy: -0.9735263844844578
Energy: -1.2397627533339997
Energy: -0.9690288378031358
Energy: -1.0715176791843164
Energy: -0.9735263844782883
Energy: -0.6195485721174749
Energy: -1.3399257060917762
Energy: -1.2574512438729077
Energy: -1.2563705096025666
Energy: -0.6195485721180358
Energy: -1.3399257060362753
Energy: -1.2574512438790775
Energy: -1.2517711850810462
Energy: -1.207166474666914
Energy: -0.900687540456244
Energy: -1.285534329571271
Energy: -1.2517711851696385
Energy: -1.2071664746523314
Energy: -0.9006875404461737
Energy: -0.664155334437644
Energy: -1.2470759242897629
Energy: -1.0634459471483328
Energy: -1.2580685098022535
Energy: -0.6641553344342788
Energy: -1.2470759242852758
Energy: -1.0634459472015905
Energy: -1.1833331836962184
Energy: -1.2456280735608718
Energy: -0.783643009013687
Energy: -1.1899830570190353
Energy: -1.1833331826293632
Energy: -1.245628073560311
Energy: -0.7836430090142479
Energy: -0.33505286490680486
Energy: -1.241275987645065
Energy: -0.15149115549458853
Energy: -1.376494602776601
Energy: -0.335052864915218
Energy: -1.2412759942766658
Energy: -0.15836825547991135
Energy: -0.6524336958121942
Energy: -1.0315267115676534
Energy: -0.9001237408594746
Energy: -1.0311050826493027
Energy: -0.6524336957970506
Energy: -1.0315267115665316
Energy: -0.900123740850526
Energy: -0.3045252007146819
Energy: -1.3080373331053239
Energy: -0.14481887762328677
Energy: -1.1975940149262796
Energy: -0.30452520063898963
Energy: -1.308037333108128
Energy: -0.1478589892339362
Energy: -1.174109729220966
Energy: -1.1926295898736403
Energy: -0.7558050059750788
Energy: -1.2455299206690953
Energy: -1.1741097292198441
Energy: -1.1926295616473859
Energy: -0.7558050059705919
Energy: -1.0862871845393074
Energy: -1.3200154080629125
Energy: -0.6604078161638111
Energy: -1.2211400655487723
Energy: -1.0862871845409903
Energy: -1.3200154079255755
Energy: -0.6604078163510405
Energy: -1.2507973087881166
Energy: -1.4494927963178867
Energy: -0.9149349487238776
Energy: -1.1771646876725976
Energy: -1.2507973084147286
Energy: -1.4800594453303528
Energy: -0.9149349487143429
Energy: -0.7687332472421888
Energy: -1.2545586751366038
Energy: -1.2072833690301206
Energy: -1.3224814667542415
Energy: -0.7687332473055419
Energy: -1.2545586751416518
Energy: -1.2072833690149771

minimum gb energy = -1.497123168122341 eV
minimum distance =  2.27157425967854 Angstroms
sigma value = 113


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

Energy: -3.9290946538271396
Energy: -3.889856907907438
Energy: -3.979074601949992
Energy: -3.8608097067755596
Energy: -3.9290946482828244
Energy: -3.8693173325231505
Energy: -4.004497029640579
Energy: -3.670881056074604
Energy: -3.9599635510197215
Energy: -3.436824056157274
Energy: -4.074943950897054
Energy: -3.6708810564781755
Energy: -4.018895935456147
Energy: -3.4363701948721963
Energy: -3.7757299626069707
Energy: -4.096257109761282
Energy: -3.6989981727950765
Energy: -4.415813367218404
Energy: -3.7757299626101006
Energy: -4.096503128269367
Energy: -3.698998225509753
Energy: -3.5529207592143783
Energy: -3.91017914861362
Energy: -4.044946760165529
Energy: -4.4644906285841515
Energy: -3.5529210030759795
Energy: -3.91017914913614
Energy: -3.992985331019094
Energy: -3.2287169004552903
Energy: -4.170483110302018
Energy: -3.8009098942424977
Energy: -3.636416754721943
Energy: -3.2287169004490304
Energy: -4.170189497717741
Energy: -3.800909887853419
Energy: -3.818380913563777
Energy: -4.076909934557661
Energy: -3.950622514931955
Energy: -4.410661709521968
Energy: -3.8183809139079314
Energy: -4.060798165463479
Energy: -3.9519485808691144
Energy: -3.8974522284048327
Energy: -4.209964059831059
Energy: -3.821345410346971
Energy: -4.6219023137931154
Energy: -3.897452235960974
Energy: -4.21714875971148
Energy: -3.8213666985471004
Energy: -3.8380227282770565
Energy: -5.045775356282617
Energy: -5.217409360332479
Energy: -4.582073981654149
Energy: -3.838022728273926
Energy: -5.045614717046531
Energy: -5.219304647491154
Energy: -4.224028571215079
Energy: -3.8420690004018256
Energy: -3.70796024366833
Energy: -4.088715602064606
Energy: -4.223956505496796
Energy: -3.8420690001952877
Energy: -3.707960243749659
Energy: -3.904082221928933
Energy: -5.064658912577622
Energy: -4.489904434125123
Energy: -4.144695567640207
Energy: -3.904082222038491
Energy: -5.064770140089428
Energy: -4.489773035908791
Energy: -3.0645305129756375
Energy: -4.080828787161177
Energy: -4.2749706284908315
Energy: -4.164225797472635
Energy: -3.0754386859377405
Energy: -4.080828582841857
Energy: -4.287899355454852
Energy: -4.329530753526709
Energy: -3.206902405326856
Energy: -3.596892988922594
Energy: -3.9352100787104103
Energy: -4.32953075355488
Energy: -3.2069024266498496
Energy: -3.593959534919177
Energy: -4.775080415267977
Energy: -4.19806417937694
Energy: -3.9058170352857378
Energy: -4.1035951912454856
Energy: -4.778082899256989
Energy: -4.198064165003051
Energy: -3.906145189737945
Energy: -3.1384068064143604
Energy: -3.963590431917657
Energy: -4.562765755435155
Energy: -3.4304576819905566
Energy: -3.138406806376855
Energy: -3.961343864415199
Energy: -3.626389601613349
Energy: -4.001729993370362
Energy: -4.063075308255616
Energy: -3.873048152171501
Energy: -3.91470716573505
Energy: -4.074058334358071
Energy: -4.060779073058761
Energy: -3.873048152196543
Energy: -3.1982053420878023
Energy: -4.4603695579553815
Energy: -4.385060926529506
Energy: -4.169508698804939
Energy: -3.1982053425852803
Energy: -4.460369556544275
Energy: -4.375763270771475
Energy: -4.052534525342656
Energy: -4.030167151642005
Energy: -3.9275302562789873
Energy: -4.20958484323978
Energy: -4.009246757395056
Energy: -4.030166911018767
Energy: -3.9275334608593178
Energy: -3.9607114074307255
Energy: -4.641891926795354
Energy: -4.704381895673229
Energy: -3.986079883040624
Energy: -3.9607112370655493
Energy: -4.640825178411675
Energy: -4.704381944351677
Energy: -4.069353267191926
Energy: -3.6291890629780448
Energy: -4.22979846663238
Energy: -3.937902317265103
Energy: -4.069615602321357
Energy: -3.6291890698771225
Energy: -4.2257947967518215
Energy: -3.862094301781333
Energy: -3.549879573815473
Energy: -3.7648722582784058
Energy: -3.53471231706021
Energy: -3.862090097177646
Energy: -3.586475728448518
Energy: -3.764872313355323
Energy: -3.3535909162383164
Energy: -4.014806638675072
Energy: -4.572833281867232
Energy: -4.158430750719979
Energy: -3.7382014840655504
Energy: -4.01480667528251
Energy: -4.595563511402408
Energy: -3.5065422075207566
Energy: -4.66840640193878
Energy: -3.5181106552291843
Energy: -3.9654402268782656
Energy: -3.5065424364765576
Energy: -4.0195315752106096
Energy: -3.51811065427179
Energy: -3.4204867462693684
Energy: -4.074109402792939
Energy: -4.417086570298836
Energy: -4.1153586503059945
Energy: -3.0072789226613685
Energy: -4.0741094024487285
Energy: -4.4170691102720285
Energy: -4.605749608031307
Energy: -3.7605789409866945
Energy: -3.5533631634286227
Energy: -3.8465415796986706
Energy: -4.605749608585129
Energy: -3.7605791902236354
Energy: -3.5525958854261455
Energy: -3.8513737665741052
Energy: -3.9040493761688557
Energy: -3.538387179212308
Energy: -3.4448731086739985
Energy: -3.2519504263443757
Energy: -3.904049376175059
Energy: -3.54375079231726
Energy: -4.519312923199312
Energy: -3.754965530494869
Energy: -4.232324352158513
Energy: -3.271278728932638
Energy: -4.558177029174086
Energy: -3.7564913119693246
Energy: -4.23238846718163
Energy: -4.309780993629343
Energy: -3.628211420271051
Energy: -4.311897112597147
Energy: -4.101045135599181
Energy: -4.310272952518457
Energy: -3.6282114202960933
Energy: -4.311852742256058
Energy: -4.586597022972014
Energy: -3.5723211316786063
Energy: -3.3792680010539327
Energy: -3.874984504536085
Energy: -4.586597012987897
Energy: -3.5723294420054046
Energy: -3.3793099399066486
Energy: -4.031680684120915
Energy: -4.239194413178851
Energy: -3.521809185444029
Energy: -3.913574366522684
Energy: -3.981342602032829
Energy: -4.238460405128107
Energy: -3.5219127497133003
Energy: -4.026619212789505
Energy: -3.8049568184196
Energy: -3.544137168354324
Energy: -3.1897260393089497
Energy: -4.026619212789505
Energy: -3.805006743260681
Energy: -3.5441371686483945
Energy: -3.7578950653475283
Energy: -3.7757881113443825
Energy: -3.544389300676461
Energy: -3.9526839183876747
Energy: -3.757848029358917
Energy: -3.7757881104119737
Energy: -3.5453300191873676
Energy: -3.7550278356821463
Energy: -4.150089116088575
Energy: -4.316545570514069
Energy: -3.957852579535583
Energy: -3.7550278356320628
Energy: -4.1500857623722105
Energy: -4.316545569434597
Energy: -4.472871251011926
Energy: -4.316408728821669
Energy: -3.8493921604784234
Energy: -4.119727941440721
Energy: -4.473606600007323
Energy: -4.316408742626141
Energy: -3.849390046801676
Energy: -4.270234393206458
Energy: -3.3596962182024144
Energy: -4.2551945544950955
Energy: -4.205065310483105
Energy: -4.270234391357291
Energy: -3.3596962097327028
Energy: -4.25489178946674
Energy: -4.163004352011867
Energy: -3.9824063991169147
Energy: -3.7548240248134674
Energy: -3.921050208995791
Energy: -4.163004352230869
Energy: -3.9824063985756704
Energy: -3.7554856307177595
Energy: -4.206275435393063
Energy: -4.077491949776474
Energy: -3.945670654419327
Energy: -4.132469171112779
Energy: -4.211082839166577
Energy: -4.077491963746735
Energy: -3.9470602136014046
Energy: -4.051593670796117
Energy: -4.060697765046469
Energy: -4.21634202943387
Energy: -4.55667709241662
Energy: -4.051593670727309
Energy: -4.0704514855421525
Energy: -4.2164470604145725
Energy: -3.7519944703644437
Energy: -4.105504900582701
Energy: -4.4573275173101115
Energy: -4.072619440205794
Energy: -3.752175988167005
Energy: -4.105504900570179
Energy: -4.457327517294461
Energy: -4.006715475183887
Energy: -4.364968587792933
Energy: -3.0721170322032223
Energy: -4.123519962082277
Energy: -4.006715492148467
Energy: -4.480050234425239
Energy: -3.0817503442393424
Energy: -4.193220713414025
Energy: -4.13096769582668
Energy: -3.9684837056558795
Energy: -4.167291763899086
Energy: -4.193220713348347
Energy: -4.151077839253458
Energy: -3.968483708133938
Energy: -4.155897026701216
Energy: -4.007399306334681
Energy: -4.1523599099814765
Energy: -4.0943502575151465
Energy: -4.155896683211198
Energy: -4.010117937565894
Energy: -4.246505501418412
Energy: -4.617784101890997
Energy: -3.926615983878377
Energy: -3.8189554594275226
Energy: -3.672838064445429
Energy: -4.61776082719821
Energy: -3.9266175240955112
Energy: -3.8189569397775256
Energy: -3.5379208828594253
Energy: -4.079288905768769
Energy: -4.358731826594414
Energy: -4.202885796314108
Energy: -3.537920882818732
Energy: -3.9622526385191597
Energy: -4.324997819699833
Energy: -3.697894307092701
Energy: -3.833672559466497
Energy: -3.70250084328813
Energy: -3.9661416517417813
Energy: -3.6974440063181775
Energy: -3.8336725590973013
Energy: -3.702500924321858
Energy: -3.935742688331766
Energy: -3.8218066434072346
Energy: -4.5796829682260904
Energy: -4.297333105128497
Energy: -3.935742688338026
Energy: -3.82181449457717
Energy: -4.5543579969261465

minimum gb energy = -5.219304647491154 eV
minimum distance =  2.2646349916337 Angstroms
sigma value = 365


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

Energy: 0.16508868468795115
Energy: -0.564592593994655
Energy: -2.7233307504360615
Energy: -0.5645928399016961
Energy: 0.16508868468371668
Energy: -0.5645925683358418
Energy: -2.7673243521863595
Energy: 0.16508868469500868
Energy: -0.5645925683393705
Energy: -1.9241251102538173
Energy: -0.5645925974646935
Energy: 0.1650886846886569
Energy: -0.5645925790083678
Energy: -2.409539802149079
Energy: 0.1650886846935971
Energy: -0.5645925693756664
Energy: -2.3482349243928544
Energy: -0.5645925682279264
Energy: 0.1650886846900684
Energy: -0.5645925787036447
Energy: -1.9903531511389896
Energy: 0.16508868468936266
Energy: -0.5645925690970239
Energy: -2.4236091799242274
Energy: -0.5645925811789945
Energy: 0.16508868468442242
Energy: -0.5645925739299598
Energy: -2.630416393462746
Energy: 0.16508868469430288
Energy: -0.5645925979944864
Energy: -2.2908858541600887
Energy: -0.5645925716506798
Energy: 0.1650886846886569
Energy: -0.5645926647914619
Energy: -2.1517949607226106
Energy: 0.16508868469430288
Energy: -0.5645925897606434
Energy: -2.9985745106262076
Energy: -0.5645925753888066
Energy: 0.1650886846886569
Energy: -0.5645925947247842
Energy: -2.8002081010008446
Energy: 0.1650886846886569
Energy: -0.5645925827669291
Energy: -2.71019091544641
Energy: -0.5645925837235076
Energy: 0.16508868468371668
Energy: -0.564592572926834
Energy: -2.465344726366524
Energy: 0.1650886846935971
Energy: -0.5645925755383613
Energy: -2.112268673736839
Energy: -0.5645925759129213
Energy: 0.16508868468936266
Energy: -0.5645925745034769
Energy: -1.9213691627737766
Energy: 0.1650886846935971
Energy: -0.564592575057233
Energy: -2.695934500700571
Energy: -0.5645925717522755
Energy: 0.16508868468936266
Energy: -0.5645925891610135
Energy: -2.7672030046164964
Energy: 0.16508868468795115
Energy: -0.5645926188393868
Energy: -2.2482819897646142
Energy: -0.5645925763982841
Energy: 0.16508868468442242
Energy: -0.5645925683788924
Energy: 0.3174805691808703
Energy: 0.1650886846935971
Energy: -0.5645925732597871
Energy: -2.727314310095829
Energy: -0.564592578822852
Energy: 0.16508868468936266
Energy: -0.5645925914430843
Energy: -2.3342120525550847
Energy: 0.16508868469430288
Energy: -0.5645925892343793
Energy: -2.769465636706585
Energy: -0.5645926066417056
Energy: 0.1650886846886569
Energy: -0.5645925704930593
Energy: -2.6945727563374753
Energy: 0.16508868468936266
Energy: -0.5645926072039309
Energy: -2.158999520617377
Energy: -0.5645925756081983
Energy: 0.16508868468301088
Energy: -0.5645925736301447
Energy: -2.159717196155967
Energy: 0.1650886846928914
Energy: -0.5645925742078963
Energy: 0.3190130906544677
Energy: -0.5645925848225831
Energy: 0.1650886846886569
Energy: -0.5645926144346483
Energy: -2.1484204383503704
Energy: 0.1650886846935971
Energy: -0.564592627643924
Energy: -2.3570566774112782
Energy: -0.5645925689467636
Energy: 0.1650886846900684
Energy: -0.5645925786669457
Energy: -1.9572416570262317
Energy: 0.1650886846886569
Energy: -0.5645925887588971
Energy: -2.470341431552827
Energy: -0.5645926496535028
Energy: 0.16508868468512816
Energy: -0.5645925733416217
Energy: -2.4706106799702483
Energy: 0.16508868469430288
Energy: -0.5645925990328674
Energy: -2.360757804455441
Energy: -0.5645925786359248
Energy: 0.1650886846886569
Energy: -0.5645925684042673
Energy: -2.159882343525956
Energy: 0.1650886846935971
Energy: -0.5645925714002673
Energy: -2.537618765793676
Energy: -0.5645925708041661
Energy: 0.1650886846886569
Energy: -0.5645925700810944
Energy: -2.3558247912484243
Energy: 0.1650886846900684
Energy: -0.5645926110760539
Energy: -2.4713514410110022
Energy: -0.5645926171315391
Energy: 0.16508868468371668
Energy: -0.5645925703188355
Energy: -1.9543916340984169
Energy: 0.1650886846928914
Energy: -0.56459258385683
Energy: -2.471330243665417
Energy: -0.5645925689107705
Energy: 0.1650886846886569
Energy: -0.5645925681100984
Energy: -2.4710479043196822

minimum gb energy = -2.9985745106262076 eV
minimum distance =  2.22331773947184 Angstroms
sigma value = 23