Model name: model_name=EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_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=3.658364850282671
cohesive_energy=4.002359338939786
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=[1.0232253007741979e-19, 1.9428314299210798e-19, 2.53898533366614e-19, 3.0887882673895796e-19, 3.6379182869267398e-19, 4.1531142053557793e-19, 4.60053805216662e-19, 4.97378112082326e-19, 5.27651239581756e-19, 5.516999108580959e-19, 5.709148152296579e-19, 5.8641266981034e-19, 5.989897563872399e-19, 6.09229267255134e-19, 6.17571800988372e-19, 6.24308953734342e-19, 6.2962337362931995e-19, 6.33670471806804e-19, 6.365976485171219e-19, 6.38608380192792e-19, 6.3991735850277e-19, 6.4069441417026e-19, 6.410789365624199e-19, 6.41197497633336e-19, 6.41043688676472e-19, 6.404861312078399e-19, 6.39374220623844e-19, 6.375269109648419e-19, 6.34735919268414e-19, 6.308906953468139e-19, 6.2599444355331e-19, 6.200615834776079e-19, 6.1308089988327e-19, 6.04855325044314e-19, 5.949570777994619e-19, 5.82825396326814e-19, 5.675486421216239e-19, 5.47124094391392e-19, 5.17930833943278e-19, 4.751975787612299e-19, 4.1413862723948997e-19, 3.3286821747983995e-19, 2.31748441401564e-19, 1.152609074852868e-19, -8.68060902477834e-21, -1.542844828889712e-19, -3.48524687547288e-19, -6.210036633383999e-19]
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: 0.018458879796047666
Energy: -1.8752659085040075
Energy: 0.6077268983410459
Energy: 0.04962039645434667
Energy: 0.2382989583929809
Energy: -0.7416943175095699
Energy: -0.7247425303877676
Energy: -0.9144428742121848
Energy: -1.9615925020645084
Energy: -1.2468420492945083
Energy: -1.8228109867543671
Energy: -1.7741159187050872
Energy: -1.0399455141167337
Energy: -1.5079583802236949
Energy: 0.019735193054000948
Energy: -2.0744028064607076
Energy: -2.4823380124569323
Energy: -1.7226119433882119
Energy: -1.7875249612893924
Energy: -1.602272982317376
Energy: -1.4719108330034794
Energy: 0.01960985650835572
Energy: -2.091633131951041
Energy: -2.20797160868978
Energy: -1.8884824840190393
Energy: -1.7749035815080623
Energy: -1.6850028242730788
Energy: -1.686542099056093
Energy: -1.4285954696579541
Energy: -1.9983900178136988
Energy: -1.1334846894206358
Energy: -1.6412160111865832
Energy: -1.9159100093099808
Energy: -1.039585145482096
Energy: -1.4605481924797068
Energy: 0.021957498148634156
Energy: -2.027776036840255
Energy: -2.4286240847217813
Energy: -1.7285748481857355
Energy: -1.8356957608684457
Energy: -1.6027303395250823
Energy: -1.553799440491747

minimum gb energy = -2.4823380124569323 eV
minimum distance =  2.38583100928667 Angstroms
sigma value = 5


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

Energy: -3.9768981636241976
Energy: -3.4316634580904535
Energy: -3.8302851595780103
Energy: -3.6827953087755647
Energy: -3.34062065826736
Energy: -3.528702944924377
Energy: -3.710958414231498
Energy: -3.6210032049948335
Energy: -3.7632993934808754
Energy: -3.969707107312883
Energy: -3.3217036704258462
Energy: -3.742696461294931
Energy: -4.460438570709394
Energy: -3.394876539836796
Energy: -3.7468371444911135
Energy: -3.733032970737381
Energy: -3.2908525679462763
Energy: -3.7498914591756565
Energy: -3.5689964903152718
Energy: -3.5146193837785344
Energy: -3.688141601384673
Energy: -3.6107054165193926
Energy: -3.5864394622952744
Energy: -3.2270675813785927
Energy: -3.3807818482051237
Energy: -3.3383377557101306
Energy: -4.201177795505063
Energy: -3.5946048189762414
Energy: -3.763014898218006
Energy: -3.675907013777031
Energy: -3.498049248569697
Energy: -3.8572734136046245
Energy: -3.643206820484114
Energy: -3.546833254749274
Energy: -3.317116436214559
Energy: -3.7898167720892464
Energy: -3.7718002527648724
Energy: -3.5991443675484835
Energy: -3.5020560894507367
Energy: -3.6728859557788676
Energy: -3.445476985034633
Energy: -3.55768209409998
Energy: -3.8024772844497985
Energy: -3.83167984719491
Energy: -3.9927623938257786
Energy: -3.649632344541526
Energy: -3.888090514966085
Energy: -3.8431159964840287
Energy: -3.4689981203930684
Energy: -3.1012572038675104
Energy: -3.810685381587752
Energy: -3.612930639756807
Energy: -3.644471915251488
Energy: -4.036882408398479
Energy: -3.5396713832513336
Energy: -3.5464665593250104
Energy: -4.121466199672146
Energy: -3.689968434055281
Energy: -3.441323818923519
Energy: -3.2780525722360507
Energy: -3.3989026812272587
Energy: -3.372376590792393
Energy: -3.750603658833255
Energy: -3.611817251296313
Energy: -3.532634293906332
Energy: -3.5860741411669292
Energy: -3.8710657909792805
Energy: -3.3871326934566945
Energy: -3.611467273247573
Energy: -4.0177805963731705
Energy: -3.6116223056440155
Energy: -4.016022254978643
Energy: -3.8757997845564027
Energy: -3.940084817299461
Energy: -3.7440855117718628
Energy: -4.117469420410616
Energy: -3.7863550323256967
Energy: -3.5850617050231732
Energy: -3.2084658255582204
Energy: -3.421204314190256
Energy: -3.3771622588449426
Energy: -3.7929624821312675
Energy: -3.57565974056779
Energy: -3.401673800798781
Energy: -3.8913193557733505
Energy: -3.9000592207191844
Energy: -3.722522447891688
Energy: -3.435824272650589
Energy: -3.4360758542943035
Energy: -3.477133808802885
Energy: -3.6363222630879712
Energy: -3.766647041671418
Energy: -3.6053295178681215
Energy: -3.50951031709284
Energy: -3.676309993247225
Energy: -3.656198616450881
Energy: -3.757813670263575
Energy: -3.7624722463715248
Energy: -3.7983391384088843
Energy: -3.9042832894277386
Energy: -3.5490812177207007
Energy: -3.407339474053948
Energy: -3.904754204044059
Energy: -3.7202764375884017
Energy: -3.5816395957312377
Energy: -3.4464772610860592
Energy: -4.14473815082342
Energy: -3.8189958608138954
Energy: -3.497310790214428
Energy: -3.5313726489273947
Energy: -3.6815703519392144
Energy: -3.5023398682652824
Energy: -3.594732020664369
Energy: -3.7004859848845837
Energy: -3.5878436153048274
Energy: -3.6997916807414946
Energy: -3.7120393318965466
Energy: -3.509845509531204
Energy: -3.6517162128716745
Energy: -4.009586669733431
Energy: -3.690520251613776
Energy: -4.019121787817592
Energy: -3.5910365040267784
Energy: -3.5295824300690533
Energy: -3.893213508219441
Energy: -3.7343095686783436
Energy: -3.5458981707662875
Energy: -3.653289077997456
Energy: -4.015109631991714
Energy: -3.6311425053468636
Energy: -3.8659779762067026
Energy: -3.4526785531874724
Energy: -3.479972424968793
Energy: -3.735006980829901
Energy: -3.666120337346806
Energy: -3.628068649677433
Energy: -3.734126304147608
Energy: -3.548469444149215
Energy: -3.6121907083836606
Energy: -3.8628014621794184
Energy: -3.4608836674953736
Energy: -3.6075373568220575
Energy: -4.093683479209156
Energy: -3.7341048563512995
Energy: -3.88038272924883
Energy: -3.4787710543001573
Energy: -3.7173495333666198
Energy: -3.4264611354387617
Energy: -3.5693350909043224
Energy: -3.5180323598968597
Energy: -3.580925381516936
Energy: -3.5526636735575083
Energy: -3.709650953290375
Energy: -3.4398768770789667
Energy: -3.557634890737131
Energy: -3.5901630153754924
Energy: -3.6676040391122373
Energy: -3.6347260345021914
Energy: -3.345492484234932
Energy: -3.823981968411543
Energy: -3.566055826649461
Energy: -3.693671894896803
Energy: -3.547101042649346
Energy: -3.982704841576652
Energy: -3.518392601903796
Energy: -3.73505366508924
Energy: -3.582090034794425
Energy: -3.581008818405229
Energy: -3.9587153889358855
Energy: -3.6107330864568845
Energy: -3.6211631922797936
Energy: -3.455823220532749
Energy: -3.4301101285544413
Energy: -3.6966879229655736
Energy: -3.1576184673055288
Energy: -3.4550243893072605
Energy: -3.513877304139419
Energy: -3.506488561337036
Energy: -3.538930260981292
Energy: -3.486349856820961
Energy: -4.002897646204781
Energy: -3.444206870033136
Energy: -3.8976435025312632
Energy: -3.3556286979010848
Energy: -3.830576021277931
Energy: -3.6116610119388213
Energy: -3.6763199016768375
Energy: -3.926944670669119
Energy: -3.659231724228859
Energy: -4.108123861257903
Energy: -3.3946799761858832
Energy: -3.658496255993829
Energy: -3.864335745796634
Energy: -3.704410318862396
Energy: -3.540979478982043
Energy: -3.46980217636778
Energy: -3.7690262823488765
Energy: -3.476435987304649
Energy: -3.5644954223110856
Energy: -3.802212932323898
Energy: -3.819988242576886
Energy: -3.6980181454294914
Energy: -3.618678085944144
Energy: -3.906066217244094
Energy: -3.7505405451631453
Energy: -3.65164941080357
Energy: -3.517294065345024
Energy: -3.5634471479173886
Energy: -3.6917586208319086
Energy: -3.670612609504335
Energy: -3.729388756531493
Energy: -3.6600601467352503
Energy: -3.3916366589829208
Energy: -3.622204780505147
Energy: -3.4477554646197746
Energy: -3.7832571109827344
Energy: -3.3074497574091217
Energy: -3.3967819749954935
Energy: -3.6121568635476833
Energy: -3.643548683677654
Energy: -3.636296042404462
Energy: -3.271798796579399
Energy: -3.7353582339818483
Energy: -3.6988532198463715
Energy: -3.6085977920348755
Energy: -3.435975305899312
Energy: -3.833647626420123
Energy: -3.480472624910764
Energy: -3.8693093536217202
Energy: -3.4618914027029604
Energy: -4.110899292106659
Energy: -3.674546935699612
Energy: -3.413960797304872
Energy: -3.738946914577247
Energy: -3.7263674574531995
Energy: -4.063236802003237
Energy: -2.946130695326143
Energy: -4.053138003378513
Energy: -3.453077463093519
Energy: -3.4345111869952905
Energy: -3.8227100437123447
Energy: -3.4524564645347384
Energy: -3.4136383528105823
Energy: -3.2662876645164007
Energy: -3.6136351655720174
Energy: -3.5580901364118462
Energy: -3.8103163569849783
Energy: -3.656419321556515
Energy: -3.774743454130557
Energy: -3.7804599451572165
Energy: -4.055052362323052
Energy: -3.75726105569429
Energy: -3.5959827369851727
Energy: -3.4593517020395517
Energy: -3.688218365693099
Energy: -3.8613262119071425
Energy: -3.49749831813333
Energy: -3.5034787877931968
Energy: -3.5400664950653282
Energy: -3.6073593612535637
Energy: -3.5636900393592317
Energy: -3.6760768259044014
Energy: -3.522068203349774
Energy: -3.6412861558298144
Energy: -3.521111703053175
Energy: -3.616018756726144
Energy: -3.7945633513116404
Energy: -3.621943162740965
Energy: -3.852589612836472
Energy: -3.854633016495244
Energy: -3.49747665303925
Energy: -3.6409268254444895
Energy: -3.5099792450666816
Energy: -3.8628090876640506
Energy: -3.730553906913448
Energy: -4.036659796104018
Energy: -3.736063062030867
Energy: -3.513205096705368
Energy: -3.773199573449632
Energy: -3.4777537588351057
Energy: -3.4475614471315987
Energy: -3.4657024625982005
Energy: -3.620056065956815
Energy: -3.575432312341113
Energy: -3.0384275032669925
Energy: -3.5223519431834545
Energy: -3.3489337366407823
Energy: -3.3395877001364007
Energy: -3.5712926439371175
Energy: -3.730275902197308
Energy: -3.62713568054844
Energy: -3.1371591248205886
Energy: -3.5493078196773293
Energy: -3.9107126351971937
Energy: -3.509234673675044
Energy: -3.5439753589767173
Energy: -3.559196480929547
Energy: -3.6965450850383466
Energy: -4.034269800876627
Energy: -3.6125588484352855
Energy: -3.7950685749335342
Energy: -3.9929315680104542
Energy: -3.805723305596765
Energy: -3.718521547546729
Energy: -3.5612442309171
Energy: -3.831260436824846
Energy: -3.7206521520323075
Energy: -3.5846695630643253
Energy: -3.593197354551879
Energy: -3.327407688790483
Energy: -3.688943527148644
Energy: -3.4770279353170688
Energy: -3.644579793154049
Energy: -3.6578566745309855
Energy: -3.384137647701316
Energy: -3.7642652347506522
Energy: -3.7227770117415115
Energy: -3.474450510514568
Energy: -3.4877802750523736
Energy: -3.424589507962855
Energy: -4.088231018040554
Energy: -3.7918936854786884
Energy: -3.6577896717433487
Energy: -4.553608555450213
Energy: -3.6419408946193648
Energy: -3.457760219542676
Energy: -3.5322260722219063
Energy: -3.7527800900502966
Energy: -3.8377519247256555

minimum gb energy = -4.553608555450213 eV
minimum distance =  2.2094028376022 Angstroms
sigma value = 401


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

Energy: -3.0823067382853537
Energy: -4.023264702009588
Energy: -3.4959652405703636
Energy: -1.9151951455345055
Energy: -2.299990127805361
Energy: -2.7678333928957732
Energy: -1.9120223697052052
Energy: -3.7184160320963224
Energy: -1.9998655775738863
Energy: -1.969650592448057
Energy: -1.9672850214443403
Energy: -2.046229516038064
Energy: -1.7492545898917793
Energy: -1.8626760055128835
Energy: -1.259927533328713
Energy: -2.08693094646545
Energy: -2.0476577851842643
Energy: -2.0291840286625416
Energy: -1.5245929274156782
Energy: -2.1743463082094734
Energy: -2.492193352634886
Energy: -2.0182334459436557
Energy: -4.046038140365322
Energy: -2.0536385811864277
Energy: -3.154215513540112
Energy: -2.0590650601335345
Energy: -3.9919936967856713
Energy: -2.7821948811579937
Energy: -2.615973795694464
Energy: -1.7980762850214118
Energy: -1.8666168841130582
Energy: -2.3710380081921163
Energy: -2.6089358199448283
Energy: -2.1702810336672593
Energy: -4.038663895091219
Energy: -1.4806986540569798
Energy: -2.065270444062526
Energy: -2.571502370611688
Energy: -2.361231565991438
Energy: -2.001757666456592
Energy: -2.824712216423572
Energy: -1.387309764305568
Energy: -2.2234406606262103
Energy: -2.9802105944858477
Energy: -2.0417353041594457
Energy: -4.129471062094139
Energy: -2.3510486207572203
Energy: -3.040763707560661
Energy: -1.984163264131375
Energy: -1.8849707117424541
Energy: -2.188683744524595
Energy: -2.266434507055626
Energy: -3.1878026373081343
Energy: -2.176994096157949
Energy: -3.784356382641368
Energy: -4.069429267906831
Energy: -2.770995489918735
Energy: -3.1175072122676037
Energy: -1.9658929848439108
Energy: -1.8578935915479033
Energy: -1.5542304273412015
Energy: -1.965679653841436
Energy: -2.2546785648219276
Energy: -3.483076640642813
Energy: -2.1041997597166526
Energy: -2.3851919675834394
Energy: -1.5715304875826452
Energy: -2.100185415184681
Energy: -1.9942520492988878
Energy: -2.6184643119085975
Energy: -1.876768684881337
Energy: -2.3573362059476906
Energy: -1.6846559746648462
Energy: -1.7880070827288883
Energy: -2.010922907017837
Energy: -2.175754818436185
Energy: -2.8775828034860558
Energy: -3.0916030723606167
Energy: -2.0392627970097443
Energy: -2.08376648139736
Energy: -2.010773245488284
Energy: -1.8266393424582137
Energy: -2.155081372291527
Energy: -2.645342926706453
Energy: -2.09540805563732
Energy: -2.150523609282195
Energy: -2.595810265354279
Energy: -2.1166861513091377
Energy: -2.5123612920586735
Energy: -1.8609348180219614
Energy: -2.187922283990062
Energy: -2.397123012805437
Energy: -3.678378954270334
Energy: -2.6801732591871974
Energy: -3.445942937064888
Energy: -2.247651133825956
Energy: -1.9571350379921997
Energy: -1.7940212152091473
Energy: -2.227255281384126
Energy: -1.7393192554504728
Energy: -3.337826056041715
Energy: -2.4059026750650534
Energy: -2.6233793666486616
Energy: -1.7127538560695
Energy: -2.9999338936257436
Energy: -1.940407035676752
Energy: -2.2519401008273503
Energy: -1.538561356415586
Energy: -2.4597211854177012
Energy: -2.8580433010287156
Energy: -1.9466191691980095
Energy: -2.1295268447220748
Energy: -1.773573732727857
Energy: -2.0320592454266935
Energy: -2.0143782293778627
Energy: -2.5285785250340354
Energy: -1.8823622751371778
Energy: -2.1830780916872636
Energy: -3.29808951196271
Energy: -1.9293082777907007
Energy: -2.1270158718831724
Energy: -2.360459404358587
Energy: -2.2617257577499017
Energy: -2.665378438216833
Energy: -2.3575708673509723
Energy: -1.9807769610614583
Energy: -1.919890225246602
Energy: -2.584826615608487
Energy: -1.9852970223991724
Energy: -4.465826134007625
Energy: -2.129139313491473
Energy: -2.204778165478487
Energy: -2.1622439454398794
Energy: -1.7651245396809803
Energy: -1.8053123798308923
Energy: -2.049332112801756
Energy: -1.8961952111951925
Energy: -1.6851278738149083
Energy: -2.4905965760956703
Energy: -2.3292656946492944
Energy: -1.7988759946734414
Energy: -2.739628874099626
Energy: -2.0045323134268282
Energy: -3.0563436994281035
Energy: -2.091093300654735
Energy: -2.769029513978025
Energy: -2.273966554877169
Energy: -1.8666526841040154
Energy: -2.9786996549668516
Energy: -2.66254866124615
Energy: -1.9389467646293685
Energy: -1.944148855893812
Energy: -2.1830693430861334
Energy: -2.144703349488912
Energy: -3.6577665113703137
Energy: -2.7247392022349666
Energy: -2.5283375435381314
Energy: -2.306888515385091
Energy: -3.551246606559306
Energy: -2.335365142721867
Energy: -1.9897019594436498
Energy: -2.25438844993388
Energy: -4.319478395645321
Energy: -4.173521853511804
Energy: -3.228255125003381
Energy: -2.3535852387344556
Energy: -2.688061038083618
Energy: -3.015398772308585
Energy: -2.388041924395235
Energy: -1.8108711603989183
Energy: -3.209957898090643
Energy: -2.2444208585780565
Energy: -3.5234097820254093
Energy: -2.1307765650850774
Energy: -2.4590396256304374
Energy: -2.187777093044453
Energy: -1.5702780057134147
Energy: -2.8334198074483496
Energy: -2.5667827964857164
Energy: -2.9111247339766084
Energy: -3.0041101716454537
Energy: -4.292756175239484
Energy: -3.8119430580582514
Energy: -2.0255966717086826
Energy: -1.8964479372866483
Energy: -3.3557843149984374
Energy: -2.94641906920937
Energy: -2.4190563831667156
Energy: -4.206420763840436
Energy: -3.663543096497948
Energy: -2.02091198498302
Energy: -1.974621115518735
Energy: -2.2827986262144258
Energy: -3.8195304170441595
Energy: -2.1689611649854297
Energy: -2.465060149039417
Energy: -2.099061808062315
Energy: -2.292560433903203
Energy: -3.412464509892222
Energy: -2.8177080748685204
Energy: -1.9716264404659918
Energy: -2.4613475797451794
Energy: -3.1531353912266216
Energy: -1.8533829261960248
Energy: -2.9129654735743973
Energy: -2.3611648543487873
Energy: -2.1436859083315367
Energy: -3.1099421687229745
Energy: -2.519190045417603
Energy: -2.038235317858224
Energy: -3.2536478050902793
Energy: -1.9648961240203533
Energy: -3.6620288860646726
Energy: -2.6125785546229006
Energy: -1.8297991592387668
Energy: -2.1505343113821564
Energy: -2.4833119907590246
Energy: -1.7944255957054434
Energy: -3.9211044710151897
Energy: -1.6517932246667613
Energy: -2.0399629640514187
Energy: -3.4041818764024256
Energy: -1.9327084158128336
Energy: -3.0442350038625103
Energy: -1.997571116731203
Energy: -2.125772412991329
Energy: -2.329170162428607
Energy: -1.9255911274375637
Energy: -2.546421235583641
Energy: -2.227316156300934
Energy: -1.9228408619312949
Energy: -2.20564844852548
Energy: -1.766155939648664
Energy: -3.2597652044640304
Energy: -3.425211869058661
Energy: -1.8530309688673905
Energy: -1.871911392090653
Energy: -2.0380944144674875
Energy: -4.027563221569229
Energy: -2.795357042924069
Energy: -2.331863486101877
Energy: -2.2432111883424124
Energy: -2.247582988801982
Energy: -2.416326542671596
Energy: -2.994002602487187
Energy: -3.369605552105615
Energy: -2.3219808035836302
Energy: -1.863264648285709
Energy: -3.1996369971390033
Energy: -2.5398507213095303
Energy: -1.8405588244228523
Energy: -2.5365466014055413
Energy: -3.8127741076296267
Energy: -1.9008586339632128
Energy: -2.3692105740349056
Energy: -2.2943508418142398
Energy: -2.1719605546786345
Energy: -3.211744994828636
Energy: -1.9364031605872465
Energy: -3.558349389526735
Energy: -1.8806322333774905
Energy: -3.2274925041049984
Energy: -2.2913496970107676
Energy: -1.8815841020515935
Energy: -2.069930201863365
Energy: -2.8147497490805984
Energy: -2.4344900192950276
Energy: -2.6304372055426652
Energy: -2.431757743646893
Energy: -2.2347533657053416
Energy: -2.1216248884477484
Energy: -2.6134354265589246
Energy: -2.0468788304817442
Energy: -2.0011316665659478
Energy: -2.938437208917174
Energy: -2.0580227745920245
Energy: -2.8425138406158994
Energy: -2.170184149740495
Energy: -2.03170758327739
Energy: -2.3705175103450116
Energy: -2.0728652400972183
Energy: -2.129405336391799
Energy: -1.6359476747765285
Energy: -2.844838718655141
Energy: -1.199025527564003
Energy: -2.0508327406591427
Energy: -2.5702634920482534

minimum gb energy = -4.465826134007625 eV
minimum distance =  2.23822609610181 Angstroms
sigma value = 311


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

Energy: -1.8003046400752416
Energy: -1.4743797227709357
Energy: -1.5188260540499414
Energy: -1.717139742608091
Energy: -1.2940705416442384
Energy: -1.3224036614685883
Energy: -1.1433189215096498
Energy: -1.5720952010526679
Energy: -1.6490472538260779
Energy: -1.7364938758441675
Energy: -1.8935825061283873
Energy: -1.6415207587975176
Energy: -1.6783782828662006
Energy: -1.1922496435625867
Energy: -1.320469921700005
Energy: -1.5282745358803995
Energy: -1.3219760345409097
Energy: -1.6682665246351034
Energy: -1.7162392185726671
Energy: -1.4219213126382255
Energy: -1.5811684299417055
Energy: -1.7366594766377779
Energy: -1.768054509531661
Energy: -1.7457806944690164
Energy: -1.588762851659924
Energy: -1.6722358178651973
Energy: -1.7244094245994899
Energy: -1.4940157483868644
Energy: -1.6324733290755902
Energy: -1.5595091129715035
Energy: -1.470766081114349
Energy: -1.660345846148051
Energy: -1.5885581077217155
Energy: -1.5210884099694972
Energy: -1.8621078316324091
Energy: -1.2810628473071195
Energy: -1.8546073297951353
Energy: -1.2566395860574349
Energy: -1.6930430697056524
Energy: -1.9339391926051108
Energy: -1.3588352045130205
Energy: -1.2633772897298823
Energy: -1.1952218153174359
Energy: -1.7175796500125424
Energy: -1.964058659362353
Energy: -1.5924216914359988
Energy: -1.9717058320517955
Energy: -1.7837674914703494
Energy: -1.2316937047811982
Energy: -1.730116235825947
Energy: -1.4423523309252397
Energy: -1.4148844603960808
Energy: -1.9532624493667197
Energy: -1.5339678390705773
Energy: -2.017607563286981
Energy: -1.5727205163076026
Energy: -1.3775604286040957
Energy: -1.2180578342832824
Energy: -2.087426690132448
Energy: -1.820119100039849
Energy: -1.7758410475793494
Energy: -1.7657549893571949
Energy: -1.6786886051975656
Energy: -1.1523594560911832
Energy: -1.7219741429258395
Energy: -1.7482723113035774
Energy: -1.1717914535532679
Energy: -1.7593005225263911
Energy: -1.2173013441128009
Energy: -1.725298869055795
Energy: -1.420182495692676
Energy: -1.6682644368519932
Energy: -1.7978774296408004
Energy: -1.7066959748533859
Energy: -1.396484734840363
Energy: -1.3264125573564385
Energy: -1.4164251496034086
Energy: -1.9527907500752697
Energy: -1.85387830556896
Energy: -1.271547682735627
Energy: -1.4995607385419576
Energy: -1.8873595756155903
Energy: -1.1686924083890435
Energy: -1.6555559935182274
Energy: -1.44553772036125
Energy: -1.6497969811185849
Energy: -1.3215281519899305
Energy: -1.4628914898408125
Energy: -1.484904690890347
Energy: -1.6555305990014733
Energy: -1.641043698152646
Energy: -1.4014429449229537
Energy: -1.4682129446307535
Energy: -1.8805054034873678
Energy: -1.9304106728208725
Energy: -1.5856959367096704
Energy: -1.6699662533568653
Energy: -1.8406708634759847
Energy: -1.751654661123561
Energy: -1.205403385150957
Energy: -1.2076840986959259
Energy: -1.7990718282219311
Energy: -1.3693956568895767
Energy: -1.739406146247843
Energy: -1.9154689590422613
Energy: -1.850382120710985
Energy: -1.6298311449670004
Energy: -1.3065689000143341
Energy: -1.7146549426565727
Energy: -1.4520220930426067
Energy: -1.5502132830624125
Energy: -1.78142133358012
Energy: -1.5435750553309018
Energy: -1.3834384245053122
Energy: -1.7349407988275196
Energy: -1.9149655259133125
Energy: -1.7595731457067156
Energy: -1.5376520504998954
Energy: -1.6101776109767303
Energy: -1.4341454962256242
Energy: -1.5754118157003814
Energy: -1.3120146636633416
Energy: -1.119445977764117
Energy: -1.3356562194201236
Energy: -1.143330101432112
Energy: -1.3795071254424702
Energy: -1.135737260985491
Energy: -1.6906854131234048
Energy: -1.5490164090435246
Energy: -1.4747752289796465
Energy: -1.2542837427911169
Energy: -1.4272002299011688
Energy: -1.4776557188586112
Energy: -1.7545427548546273
Energy: -1.5642972616578656
Energy: -1.6135004648287525
Energy: -1.71431486660688
Energy: -1.6088711588733227
Energy: -1.2050243091428272
Energy: -1.6200674733011764
Energy: -1.7966294518480836
Energy: -1.6864301815657794
Energy: -1.5067969791923839
Energy: -1.1428511261810865
Energy: -1.6874151252623237
Energy: -1.6077773308997443
Energy: -1.7389513307375615
Energy: -1.5751790967058563
Energy: -1.8524579845946505
Energy: -1.9032724081292058
Energy: -1.413534627599953
Energy: -1.733587951590866
Energy: -1.632232911976165
Energy: -1.6524985012758664
Energy: -1.5654359933388928
Energy: -1.3597712409894205
Energy: -1.4843066728790852
Energy: -1.4029310013636016
Energy: -1.4504450910434983
Energy: -2.215986077455517
Energy: -1.6298274657148601
Energy: -1.2887403931724069
Energy: -1.6813283182880303
Energy: -1.336982897583587
Energy: -1.6245866738396175
Energy: -1.5290450472704715
Energy: -1.038017044910898
Energy: -1.6196052758044124
Energy: -1.289337391109907
Energy: -1.9206569699573706
Energy: -1.780667713658402
Energy: -1.8674448956050158
Energy: -1.898717412122635
Energy: -1.7176049306675862
Energy: -1.3784278420537095
Energy: -1.6741751330121462
Energy: -2.0553403910389902
Energy: -1.83551941226516
Energy: -1.9811635942937118
Energy: -1.6719958434558213
Energy: -1.482859316373485
Energy: -1.39964137960874
Energy: -1.3351558310778384
Energy: -1.3557869271562892
Energy: -1.6319941810185026
Energy: -1.5646112496854585
Energy: -1.5489438564490234
Energy: -1.4191970610266784
Energy: -1.4905984933312995
Energy: -1.7474237710833607
Energy: -1.638852956186954
Energy: -1.6382489875344124
Energy: -1.012128257528068
Energy: -1.6916786630213234
Energy: -1.4419027872704147
Energy: -1.9914953298131173
Energy: -1.3420824919924792
Energy: -1.9258868941346012
Energy: -1.4229576599220632
Energy: -1.7721262003301892
Energy: -1.222964295686107
Energy: -1.3490590979717987
Energy: -1.450860412656063
Energy: -1.3781741035389858
Energy: -1.6313325392759443
Energy: -1.3256194241090202
Energy: -1.1979011984623291
Energy: -1.6850284148142254
Energy: -1.43620634977639
Energy: -1.752285627025917
Energy: -1.5763022313968729
Energy: -1.9373288326127975
Energy: -1.178514034073184
Energy: -1.013137487567736
Energy: -1.660652120048927
Energy: -1.5120070043086562
Energy: -1.4477925451865163
Energy: -1.4543589962698027
Energy: -1.3157031021007117
Energy: -2.2227640837626135
Energy: -1.6861914802933566
Energy: -1.1980165266927973
Energy: -1.8166978616254539
Energy: -1.4987743165768372
Energy: -1.9391518448049885
Energy: -1.8025774744429452
Energy: -1.2731192278465404
Energy: -1.4752385389177491
Energy: -1.4047921307002156
Energy: -1.2598508129764794
Energy: -1.6008511781795929
Energy: -1.282041304873043
Energy: -1.624550873930361
Energy: -1.643736428879133
Energy: -1.2623334873133822
Energy: -1.959566398489464
Energy: -1.4447297983280771
Energy: -1.2141030542924955
Energy: -1.2326245110780052
Energy: -1.6644454658150143
Energy: -1.5639518584116516
Energy: -1.4831491286809015
Energy: -1.5647324419673583
Energy: -1.5751551366736356
Energy: -1.8771234764901201
Energy: -1.6801105639477207
Energy: -1.6949420656174452
Energy: -1.7738971703047501
Energy: -1.7436071367803514
Energy: -1.1289716771611706
Energy: -1.668965914146509
Energy: -1.6810160027762517

minimum gb energy = -2.2227640837626135 eV
minimum distance =  2.18712210096085 Angstroms
sigma value = 39


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

Energy: -1.925986794178095
Energy: -2.5864659408996196
Energy: -2.4300798733390407
Energy: -1.5638466603235737
Energy: -1.653757843736862
Energy: -1.637089938700852
Energy: -1.4863845333347392
Energy: -2.3388992090436713
Energy: -2.5915481631817423
Energy: -2.0106636934280813
Energy: -1.5039926188089825
Energy: -1.4579306987045562
Energy: -2.7347067425240548
Energy: -2.779352118791994
Energy: -1.6015047792990338
Energy: -1.832629677579076
Energy: -1.6120257688040225
Energy: -1.7691052875222346
Energy: -1.6700087881086658
Energy: -2.4827840709563467
Energy: -1.9694964413691205
Energy: -1.8593822231705928
Energy: -2.847243295031317
Energy: -1.6072994753400776
Energy: -1.9120115020909818
Energy: -1.9335960194350348
Energy: -2.1533698712415745
Energy: -1.3827851502332753
Energy: -1.8635838689774955
Energy: -1.10043352935753
Energy: -1.8535993484531654
Energy: -1.8126099076828408
Energy: -1.8170908940786086
Energy: -2.413317480919674
Energy: -1.8740297323469775
Energy: -0.7020905806939378
Energy: -1.3884122699870554
Energy: -1.5530115657965926
Energy: -1.6784841715789913
Energy: -1.805618128206094
Energy: -2.333302546017269
Energy: -2.691366147163489
Energy: -1.6486308950028403
Energy: -2.387652066557669
Energy: -2.15207072496931
Energy: -0.45579548012377213
Energy: -1.8447788509828364
Energy: -2.935170005786082
Energy: -1.920985391418806
Energy: -2.156033655511584
Energy: -1.5451480645270246
Energy: -2.463896372754258
Energy: -1.2495607038608885
Energy: -1.7281031180222761
Energy: -2.4366717293081948
Energy: -2.757009870972782
Energy: -2.186229208263077
Energy: -1.9316741669979296
Energy: -0.7851086744381299
Energy: -1.4623441612125172
Energy: -1.3757942533298866
Energy: -1.8464588668538902
Energy: -1.0242755943059232
Energy: -1.65355979386467
Energy: -2.26349998666018
Energy: -2.157051108934453
Energy: -2.688611821345263
Energy: -1.5602558316011403
Energy: -2.4060052797666143
Energy: -1.588198711834973
Energy: -3.2751095236540118
Energy: -1.9435042341177051
Energy: -1.7044117415783766
Energy: -1.8642046114457302
Energy: -2.34147640300038
Energy: -1.9780978246462964
Energy: -1.8412095771353039
Energy: -3.125605465212568
Energy: -2.328879736627481
Energy: -1.3965948847188445
Energy: -1.9816295624951061
Energy: -2.3791329108038
Energy: -2.3802704453373824
Energy: -0.8715513726142917
Energy: -1.3117102402217593
Energy: -1.7776678735025726
Energy: -1.718643135011532
Energy: -1.8846411391287765
Energy: -1.9260881352727826
Energy: -2.0179930288161643
Energy: -2.8033792133461404
Energy: -2.568852626805964
Energy: -1.857222759297449
Energy: -0.9460064765001411
Energy: -2.1385826239681167
Energy: -1.213422079932082
Energy: -1.6739862851489022
Energy: -0.8493464569042836
Energy: -0.9257945523047737
Energy: -1.9224720971369036
Energy: -2.8030121420973053
Energy: -1.281710669509284
Energy: -1.3964213448273355
Energy: -0.9555120359229206
Energy: -1.6557693725614526
Energy: -1.2509025989000655
Energy: -2.118294344539403
Energy: -3.1785181764414925
Energy: -0.7899511436344752
Energy: -1.7889761020132655
Energy: -2.0091951100707655
Energy: -1.7124025650747454
Energy: -1.605292998795713
Energy: -2.62994444831782
Energy: -1.9738508362092342
Energy: -2.9036665587677204
Energy: -2.7732561530237874
Energy: -2.526135149994573
Energy: -2.608018297477513
Energy: -1.8324039867551232
Energy: -2.908230230594836
Energy: -1.7612678842516512
Energy: -1.6576924554023564
Energy: -2.620976913528455
Energy: -1.3901991980369794
Energy: -2.4914009189672313
Energy: -2.248755736046113
Energy: -2.8105614029881156
Energy: -1.7185089571319772
Energy: -2.4265052146627077
Energy: -2.663889822211363
Energy: -1.8560986916172295
Energy: -2.8770267217022454
Energy: -2.6970356000944236
Energy: -2.0371670583457777
Energy: -2.256804049352035
Energy: -1.8111640755779839
Energy: -1.999430264316958
Energy: -2.268227220244082
Energy: -1.8634716664496744
Energy: -0.7237326312210027
Energy: -1.3957207988809535
Energy: -2.0086996220746975
Energy: -2.8161711780947414
Energy: -2.2266452768196427
Energy: -2.899085094260656
Energy: -2.371513868468617
Energy: -1.757761463087929
Energy: -2.1421836294568957
Energy: -2.114811346959385
Energy: -0.41064944445170526
Energy: -1.8701058445202405
Energy: -2.583483030978176
Energy: -1.7544278105326345
Energy: -0.997680164213439
Energy: -1.7158556923008599
Energy: -1.746388692147737
Energy: -2.1036996392677425
Energy: -1.6384643485191213
Energy: -2.5249528921978412
Energy: -2.746798132105503
Energy: -1.681108654987022
Energy: -2.4269105775818622
Energy: -2.3134789824944546
Energy: -1.4873518658873481
Energy: -1.6951923115307428
Energy: -2.049082877060572
Energy: -1.9391154138869213
Energy: -1.7765915887229926
Energy: -2.454717289450079
Energy: -2.074100513978412
Energy: -1.765816650161101
Energy: -1.5365450720432572
Energy: -2.4520344696439356
Energy: -1.8481856422415475
Energy: -2.707095644414534
Energy: -1.6346152711433775
Energy: -1.5356083264087492
Energy: -2.0212611601390176
Energy: -1.5616036433784408
Energy: -1.4609316964085728
Energy: -2.2305404765809365
Energy: -2.6997951075375015
Energy: -1.786879090300495
Energy: -1.0715478656212867
Energy: -1.8308354600507224
Energy: -2.0614852672887265
Energy: -1.9012612087913154
Energy: -1.3212637299929597
Energy: -1.7817634463894736
Energy: -2.606713504524611
Energy: -1.4375026804236026
Energy: -1.814883587591429
Energy: -2.1561656226895227
Energy: -1.8907728330566098
Energy: -2.757365495887288
Energy: -2.691973582046635
Energy: -2.584205297301675
Energy: -1.3850770919649023
Energy: -0.8024493297140541
Energy: -1.8454221203243133
Energy: -2.736460666094352
Energy: -2.6473910562146066
Energy: -1.0084728923188198
Energy: -1.92503836200339
Energy: -2.5570036528828637
Energy: -1.6013317719283304
Energy: -1.3867515228197982
Energy: -2.842192512074077
Energy: -1.291945328705088

minimum gb energy = -3.2751095236540118 eV
minimum distance =  2.23991714703698 Angstroms
sigma value = 21


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

Energy: -1.093972482729355
Energy: -1.7089802263320968
Energy: -1.1574861556723124
Energy: -1.0808342283334058
Energy: -1.6138342763243312
Energy: -1.6108539499592813
Energy: -1.5482056767802643
Energy: -1.9082933953131866
Energy: -1.852605992534869
Energy: -1.3655502000037902
Energy: -1.123662737917411
Energy: -1.6961935791948148
Energy: -1.7084120367642337
Energy: -2.01728604886528
Energy: -1.1596290300979044
Energy: -1.5717634734512071
Energy: -1.8682198752013424
Energy: -1.5323856776143627
Energy: -1.4963901635044752
Energy: -1.6898948584858795
Energy: -1.4816129743010849
Energy: -1.821404771946553
Energy: -1.7014826971058583
Energy: -1.136528235634958
Energy: -1.6989861145505765
Energy: -1.42329938212342
Energy: -1.6615960136428636
Energy: -1.2860299267919932
Energy: -1.674459462212317
Energy: -1.667515170912399
Energy: -1.4433919445637233
Energy: -1.9352575596849981
Energy: -1.7293437530124949
Energy: -1.2099265372590804
Energy: -1.8201211354563898
Energy: -1.749288231259926
Energy: -1.3865731512535477
Energy: -1.416199106433417
Energy: -1.8025583050864413
Energy: -1.6125268273697815
Energy: -1.3269706881089096
Energy: -1.8363156235830298
Energy: -1.8702912825637226
Energy: -1.6217165251306427
Energy: -1.5896084846525635
Energy: -1.806826799228131
Energy: -1.4318951906735284
Energy: -1.6563959317401142
Energy: -1.165501540660344
Energy: -1.5284699737809262
Energy: -1.527183387291801
Energy: -1.426764190094547
Energy: -1.4707541896913805
Energy: -1.5209809541272379
Energy: -1.8119231445362265
Energy: -1.6885716711920646
Energy: -1.9905242882361491
Energy: -1.6687280536805051
Energy: -1.7064478265988559
Energy: -1.3610065629722983
Energy: -1.4955132316826159
Energy: -1.353057629618757
Energy: -1.7586062616785922
Energy: -1.436809277130112
Energy: -1.5823368599610472
Energy: -1.6579140807275874
Energy: -1.2867222293111162
Energy: -1.4759245189443024
Energy: -1.5062080421212172
Energy: -1.4939048554008816
Energy: -2.1145624968491172
Energy: -1.4916774043725551
Energy: -1.303366317288507
Energy: -1.297569697337067
Energy: -1.4646174211350536
Energy: -1.3506849073697438
Energy: -1.3169923893483355
Energy: -1.2804233211939053
Energy: -1.8136449168735012
Energy: -1.3290105185022272
Energy: -1.7462438092750436
Energy: -1.6412474799838443
Energy: -1.6795978690222675
Energy: -1.2687853672367637
Energy: -1.3173337751216674
Energy: -1.410541590543413
Energy: -1.4483505599558149
Energy: -1.562759669674826
Energy: -1.5338306632027183
Energy: -1.6241926361256296
Energy: -1.2780190883422273
Energy: -1.41966641986557
Energy: -1.6189216195165386
Energy: -1.386444196146146
Energy: -1.7059799705052778
Energy: -1.5427021533365832
Energy: -1.1335684738935043
Energy: -1.0650536565730913
Energy: -1.4263159520262825
Energy: -1.9510784267612893
Energy: -1.2253036333915603
Energy: -1.8271731918697565
Energy: -1.5672169088845551
Energy: -1.3473193422694514
Energy: -1.4457267798693312
Energy: -1.8106525683506707
Energy: -1.8559511979834598
Energy: -1.2969164015593257
Energy: -1.438516611792681
Energy: -1.9517002469907685
Energy: -1.4382169501832605
Energy: -1.394451212432019
Energy: -1.7616424851383792
Energy: -1.6044479126703375
Energy: -1.5111766228135848
Energy: -1.4979015094937205
Energy: -1.659281926176942
Energy: -1.379239438163371
Energy: -1.628201601260264
Energy: -2.024146787228391
Energy: -1.6049893329370808
Energy: -1.5438613504222118
Energy: -1.2558128232979733
Energy: -1.7690576360953205
Energy: -1.3035780005275717
Energy: -1.7058712312926632
Energy: -1.365979908565839
Energy: -1.508503322919873
Energy: -1.2865292453314034
Energy: -1.495981938307383
Energy: -2.0650080033575176
Energy: -1.9227611662844963
Energy: -1.4590768910264271
Energy: -1.943543917987469
Energy: -1.563981944009842
Energy: -1.4157258183992514
Energy: -1.3423457958098564
Energy: -1.8946575456944517
Energy: -1.7535847933738251
Energy: -1.8167197865434863
Energy: -1.711929162748887
Energy: -1.4478714580439436
Energy: -1.7457428002327333
Energy: -1.6398815488797105
Energy: -1.4890927342241902
Energy: -1.5189596583258598
Energy: -1.3846973944748022
Energy: -1.660318316830265
Energy: -1.5148642110414454
Energy: -1.9143022203716988
Energy: -1.6960418774293553
Energy: -1.2859638639626783
Energy: -1.8130352416627504
Energy: -1.2171869392834795
Energy: -1.397097293325162
Energy: -1.9164741804790593
Energy: -1.3951260237717602
Energy: -1.2969058977827057
Energy: -1.5781309414418088
Energy: -1.098622675022877
Energy: -1.3525734477145972
Energy: -1.8974461879891622
Energy: -1.398163847710679
Energy: -1.6608991143807703
Energy: -1.9239893890872737
Energy: -1.6653632474725097
Energy: -1.3993453829748583
Energy: -1.7676200884983047
Energy: -1.3012832005900279
Energy: -1.5555459641524476
Energy: -1.8703365120093827
Energy: -1.1232561618854964
Energy: -1.3790316162502256
Energy: -1.1857102398436692
Energy: -1.3576439578295703

minimum gb energy = -2.1145624968491172 eV
minimum distance =  2.22240631833217 Angstroms
sigma value = 113


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

Energy: -4.908456303425244
Energy: -5.576483599347489
Energy: -5.380113826234013
Energy: -4.831785843189934
Energy: -3.481757958680149
Energy: -5.170808544303289
Energy: -3.5331023305197244
Energy: -5.281236307803713
Energy: -4.3012097132466325
Energy: -4.9936429310370265
Energy: -5.396928314744507
Energy: -5.132070726844318
Energy: -4.202164208823791
Energy: -5.123424096051225
Energy: -5.571507266167509
Energy: -4.0459978449181735
Energy: -4.890391778504392
Energy: -5.5651186435684945
Energy: -5.445958839117466
Energy: -5.557333451090849
Energy: -4.392246261060129
Energy: -5.336312878268027
Energy: -4.220705633960925
Energy: -5.860702938091267
Energy: -5.049777829962214
Energy: -5.507398219440039
Energy: -5.292742082934508
Energy: -4.934459151531001
Energy: -4.894673608287214
Energy: -5.746295631885489
Energy: -4.740578179389063
Energy: -5.344219884251378
Energy: -5.129972731563339
Energy: -5.084618746694978
Energy: -4.646026840223128
Energy: -5.28114841518928
Energy: -5.190126975983544
Energy: -6.076437532585531
Energy: -5.64600465799706
Energy: -5.182420156958809
Energy: -5.138398805554112
Energy: -5.943132786005522
Energy: -4.7601864298822205
Energy: -4.14978054719183
Energy: -4.5375161321743835
Energy: -4.9274213623066085
Energy: -5.3343484655940445
Energy: -5.229465621031166
Energy: -5.092503191798684
Energy: -3.9096284627883464
Energy: -4.225115041220666
Energy: -5.213514155618135
Energy: -5.198709968383478
Energy: -4.958312267157055
Energy: -5.667374900702471
Energy: -4.382119707031498
Energy: -4.795243530614642
Energy: -4.885831466553795
Energy: -5.031231173890139
Energy: -3.3083964145992484
Energy: -4.2792755801874
Energy: -3.9893207051163238
Energy: -5.142665876482598
Energy: -4.610925302041351
Energy: -5.588072837281589
Energy: -4.490406731365395
Energy: -4.917252863437569
Energy: -5.8148639812925795
Energy: -4.996878188079333
Energy: -4.827229442661514
Energy: -3.942854209690775
Energy: -5.1961367683323045
Energy: -4.337516284639225
Energy: -6.22537261571898
Energy: -5.769327952943241
Energy: -5.601861980386103
Energy: -5.267017004273672
Energy: -5.306253437598545
Energy: -5.616694718830186
Energy: -4.97490556449956
Energy: -5.047447851597281
Energy: -5.110713276009435
Energy: -4.84645673704533
Energy: -5.821851309627132
Energy: -4.907451531294906
Energy: -4.559855913334067
Energy: -5.958338620376934
Energy: -5.624881207124405
Energy: -5.012561111404577
Energy: -4.289864353328596
Energy: -4.456442720114658
Energy: -4.586329562133859
Energy: -5.554675093835398
Energy: -5.254901506960395
Energy: -5.119254588540225
Energy: -5.359995264435792
Energy: -5.571467634327379
Energy: -4.785768508740433
Energy: -5.376126004523707
Energy: -5.390157085568096
Energy: -5.078574188066024
Energy: -5.004226832782623
Energy: -5.472178703941003
Energy: -4.791266837236095
Energy: -5.3933966007354535
Energy: -5.2375528342563795
Energy: -5.538987548151907
Energy: -4.724400464825049
Energy: -5.0110222413169545
Energy: -6.1155687611506675
Energy: -5.020254606894125
Energy: -5.613129426462119
Energy: -4.30356901610174
Energy: -5.479154595743666
Energy: -4.710573373114395
Energy: -5.624185449946395
Energy: -5.318116561481551
Energy: -5.6378114319787205
Energy: -5.118955835419964
Energy: -4.146468781050886
Energy: -4.843453742966158
Energy: -4.8199628444661045
Energy: -5.012582248984919
Energy: -4.74307425746476
Energy: -5.257065382184815
Energy: -4.511602838320145
Energy: -5.627267394894475
Energy: -6.043573227502947
Energy: -5.465055978187249
Energy: -5.296466492353048
Energy: -4.912309091072888
Energy: -5.347869771586485
Energy: -6.05016200129304
Energy: -5.3277583175842045
Energy: -6.1283391781426
Energy: -5.097283763269405
Energy: -5.340202606160242
Energy: -5.127181341341996
Energy: -4.9820184026894045
Energy: -5.365530777260065
Energy: -5.0531370266920534
Energy: -5.820622413681143
Energy: -5.946818593467169
Energy: -4.484998266509686
Energy: -4.660999753461932
Energy: -4.756565201482802
Energy: -5.35421638113897
Energy: -4.817221685733623
Energy: -5.588227389148689
Energy: -6.166226273734965
Energy: -4.981148777205751
Energy: -5.443219278387617
Energy: -5.3866117663944895
Energy: -4.997071680553339
Energy: -5.007737777929752
Energy: -5.698894344599347
Energy: -5.351650462677914
Energy: -4.618948671878405
Energy: -5.371717705653832
Energy: -5.063026258992999
Energy: -5.1622717940923915
Energy: -5.7043256086029395
Energy: -3.530598365863182
Energy: -5.0481247890665895
Energy: -5.391420690213344
Energy: -5.553977416130613
Energy: -5.412330190530208
Energy: -5.2661458589158405
Energy: -5.061827139677925
Energy: -5.0535182274373
Energy: -4.483975516516678
Energy: -5.417653454239962
Energy: -5.530612379780355
Energy: -4.591058808774401
Energy: -4.211115050527489
Energy: -5.64240539325777
Energy: -4.334338189108034
Energy: -4.607527965975366
Energy: -4.712096479711171
Energy: -5.265890618612273
Energy: -5.574622092341863
Energy: -4.446179685675982
Energy: -5.599839673538556
Energy: -5.585526457198784
Energy: -4.6342142294444075
Energy: -4.923711302781816
Energy: -4.598379412391106
Energy: -5.776254755106533
Energy: -5.339376166699785
Energy: -4.874057124024401
Energy: -5.199299159074388
Energy: -6.022881732495714
Energy: -5.32784869310726
Energy: -4.977331085281349
Energy: -4.285145840416128
Energy: -6.055481082707901
Energy: -5.501763881139535
Energy: -5.255057178177239
Energy: -5.1338941658473525
Energy: -5.748515304996418
Energy: -4.281785614046974
Energy: -4.918123584509622
Energy: -5.87443438571858
Energy: -4.711442621698036
Energy: -5.217262289780155
Energy: -4.246804855098567
Energy: -4.915996984252804
Energy: -5.088600808236129
Energy: -6.328051268913519
Energy: -5.353462577349331
Energy: -5.432459082844729
Energy: -5.398443960588736
Energy: -5.213009496288608
Energy: -4.767383289300079
Energy: -5.48865864798391
Energy: -5.1036596789596045
Energy: -5.13412887752152
Energy: -5.062540978433204
Energy: -5.522974213400493
Energy: -5.116851797187843
Energy: -5.545997574842127
Energy: -6.281169209014308
Energy: -4.766745918665973
Energy: -5.4561403794606536
Energy: -4.144981874641889
Energy: -5.505915160849554
Energy: -5.445989032948219
Energy: -5.275552617280506
Energy: -5.5168299285930225
Energy: -4.7654300465528046
Energy: -5.723681513870105
Energy: -4.960546712043929
Energy: -5.554100656037387
Energy: -5.229234383083778
Energy: -5.504980294726248
Energy: -4.899313349891753
Energy: -4.4876845463503106
Energy: -4.748119156073992
Energy: -5.454027290559791
Energy: -5.174479891924369
Energy: -4.644924072723543
Energy: -5.5155307632917125
Energy: -5.437417807311671
Energy: -4.531575689519294
Energy: -5.269604608703337
Energy: -4.408861704135509
Energy: -5.292758626401577
Energy: -5.001828466596511
Energy: -5.585924482385707
Energy: -4.973503533315867
Energy: -4.644718557711379
Energy: -5.41368260220849
Energy: -5.388686199940091
Energy: -5.225568448574364
Energy: -4.6884942405446814
Energy: -5.01710648864181
Energy: -5.242536589370306
Energy: -5.123224658892237
Energy: -5.275793910842799
Energy: -5.076356840723093
Energy: -4.778413877202726
Energy: -5.090718266687013
Energy: -4.862007247084162
Energy: -5.18698709686814
Energy: -5.074690274750875
Energy: -5.669066509691412
Energy: -5.579207826254865
Energy: -5.662971684798419
Energy: -4.349870748838214
Energy: -4.853765670838897
Energy: -4.9827151859850725
Energy: -5.550185770942662
Energy: -5.315639993182525
Energy: -5.37757915252965
Energy: -5.170826262977146
Energy: -4.9815311637465465
Energy: -5.4012144126304875
Energy: -5.1430607940486555
Energy: -6.267481111667948
Energy: -5.965476045266569
Energy: -5.39279017357972
Energy: -5.220203837464536
Energy: -5.020395353945624
Energy: -5.03758406661064
Energy: -5.5017807037597715
Energy: -5.257967807227725
Energy: -5.422519925026244
Energy: -4.486537508435648
Energy: -5.62830308511555
Energy: -4.638891501970252
Energy: -5.169209789243791
Energy: -5.054437245270812
Energy: -5.0043029965924575
Energy: -6.187162464112724
Energy: -5.381270574200862
Energy: -5.489007215794986
Energy: -5.888917656286304
Energy: -4.801690403797194
Energy: -5.346534625231729
Energy: -4.4734434740862055
Energy: -5.4895785812460245
Energy: -4.911177978203038
Energy: -5.718426103476612
Energy: -4.475722794084084
Energy: -5.096430482473255
Energy: -5.695318353743066
Energy: -5.604292570509998
Energy: -4.885835789994678
Energy: -5.343334207763074
Energy: -5.132487380037553
Energy: -4.450334393458928
Energy: -5.642021592009083
Energy: -5.436326709209758
Energy: -4.7795465993861175
Energy: -5.469063356991133

minimum gb energy = -6.328051268913519 eV
minimum distance =  2.25245842743673 Angstroms
sigma value = 365


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

Energy: -1.5428941504498996
Energy: -2.1198610433469898
Energy: -2.110487554281731
Energy: -1.8704359002473232
Energy: -1.8727500209572259
Energy: -1.873882939649778
Energy: -1.3311466887046928
Energy: -2.216646423979162
Energy: -1.6037879197204803
Energy: -1.689293153415498
Energy: -1.7594086952565005
Energy: -1.8443507309861364
Energy: -1.8937872141476715
Energy: -1.6012227025348043
Energy: -2.2931033007562567
Energy: -1.7983561393120011
Energy: -1.584925029633859
Energy: -1.831829277673432
Energy: -1.3753229428831064
Energy: -1.613797533728879
Energy: -2.0109093512015574
Energy: -1.5124534162356664
Energy: -1.748202111004125
Energy: -1.8161839489196412
Energy: -2.201392925418434
Energy: -1.8375357352399675
Energy: -1.928166861662142
Energy: -1.9619868237821523
Energy: -2.1305748724939564
Energy: -1.5685221743011009
Energy: -2.151593785961715
Energy: -1.4948121839141344
Energy: -2.1929239857606238
Energy: -2.1487272215189925
Energy: -1.6046418123110806
Energy: -1.4544800902461137
Energy: -1.7785880899397095
Energy: -2.107923749796903
Energy: -1.8720750855821762
Energy: -1.8697766714806752
Energy: -1.8192668946706259
Energy: -2.4479063800491003
Energy: -1.458407807593587
Energy: -1.6786642629587891
Energy: -2.4757582660061694
Energy: -2.0641455612833517
Energy: -2.0918947210350893
Energy: -2.0424604906312607
Energy: -1.9935049321486005
Energy: -2.049387219947518
Energy: -1.5454384663716771
Energy: -2.0341134579480102
Energy: -2.0713206340472494
Energy: -1.4418048667545318
Energy: -2.1793672208869457
Energy: -1.7946422407072262
Energy: -1.426709548090644
Energy: -1.7909053562129478
Energy: -1.9095371577901838
Energy: -1.8864218277821792
Energy: -1.8415782345855571
Energy: -2.4198215304875488
Energy: -1.8978075585226981
Energy: -2.130542126524514
Energy: -1.5737463476793967
Energy: -2.1487701487031985
Energy: -1.492875227389245
Energy: -1.3343729459437057
Energy: -2.355603906133202
Energy: -1.30299892196573
Energy: -1.5509789210139457
Energy: -1.7879215686568106
Energy: -1.888823720608836
Energy: -1.864446816104706
Energy: -1.8642649237342854
Energy: -1.9060389910468771
Energy: -1.9314471672343112
Energy: -2.3129470775436505
Energy: -2.074084892051039
Energy: -1.6116683689816342
Energy: -2.062034614778858
Energy: -2.38907344519444
Energy: -1.565907778855673
Energy: -1.8038842944370854
Energy: -1.4565511755535065
Energy: -1.7878203008303366
Energy: -1.6554545501938631
Energy: -2.067308571041218
Energy: -2.0828536935069306
Energy: -1.9509890081467074
Energy: -1.5901447354929956
Energy: -1.9293459449276873
Energy: -2.188742895816635
Energy: -2.0247123708102084
Energy: -1.8701709798230053
Energy: -1.8706873566912314
Energy: -2.1102485132749447
Energy: -1.8504384142643509
Energy: -2.1330490796231785
Energy: -1.5852062544839098
Energy: -2.126878814673912
Energy: -1.7540001967770131
Energy: -2.096901845412808
Energy: -1.8768656813960818
Energy: -1.5437175677532469
Energy: -1.515162412536224
Energy: -1.7900848340988988
Energy: -1.6152397938013354
Energy: -2.165864849702064
Energy: -1.3319890847797309
Energy: -2.7738973572230545
Energy: -1.9009502175770623
Energy: -2.1472415596871905
Energy: -1.7907161138709466
Energy: -1.604871122357189
Energy: -2.224159818727557
Energy: -2.211358132901858
Energy: -1.5846910461927253
Energy: -1.8932649798652417
Energy: -2.137534638528807
Energy: -1.5570636734593908
Energy: -1.6630637740020684
Energy: -1.7921688993913556
Energy: -1.8422544577955882
Energy: -1.9154763755331978
Energy: -1.6063116603265695
Energy: -2.719453762217527
Energy: -1.6352887873047335
Energy: -2.1080760242941063
Energy: -1.8723500244657347
Energy: -1.8706955006345551
Energy: -1.8416714886201782
Energy: -1.3304782726178657
Energy: -1.4589799166551742
Energy: -1.5773338267838748
Energy: -2.311230524433352
Energy: -1.6561309401231075
Energy: -2.0669480623082164
Energy: -1.9168814357172854
Energy: -1.44192645731086

minimum gb energy = -2.7738973572230545 eV
minimum distance =  2.32262959200492 Angstroms
sigma value = 23