Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Ni__MO_108408461881_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.491938583552837
cohesive_energy=4.443733403167747
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.04780604298076e-19, 2.8939475669288398e-19, 3.54069820877562e-19, 4.0779560994548396e-19, 4.51603925648946e-19, 4.8880806926706e-19, 5.208147518844779e-19, 5.48548429419018e-19, 5.72675607350424e-19, 5.937025734950399e-19, 6.12045893777706e-19, 6.28107714533556e-19, 6.425401216526279e-19, 6.56280388465812e-19, 6.690769732415699e-19, 6.796785760287479e-19, 6.88136466479634e-19, 6.949537280573039e-19, 7.00433172145584e-19, 7.047334142312399e-19, 7.079601979721159e-19, 7.10190427846644e-19, 7.11488190920184e-19, 7.11907961198292e-19, 7.114577495641379e-19, 7.10007779710368e-19, 7.0740103832685e-19, 7.034388555109681e-19, 6.9793217441991e-19, 6.90723981743544e-19, 6.817261577669999e-19, 6.70594234513968e-19, 6.563428733545379e-19, 6.381036945530819e-19, 6.153143341110659e-19, 5.87258619073092e-19, 5.5293518904291e-19, 5.1107031359649e-19, 4.60140322754898e-19, 3.98946788395902e-19, 3.2637940211214e-19, 2.35971779008788e-19, 1.226253123834678e-19, -1.83449224593e-20, -1.9391143801301998e-19, -4.1405210970125396e-19, -6.954343810475039e-19, -1.050952569602202e-18, -1.5102437387410799e-18, -2.12378125896504e-18, -2.94033058048314e-18, -4.02881734209006e-18, -5.46452782381746e-18, -7.10113523368212e-18]
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: -8.48587922344666e-25 eV

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

Energy: 0.022494590844875654
Energy: 0.023072311188079522
Energy: 0.5801937611147149
Energy: 1.4574904725342905
Energy: 1.35813162059816
Energy: 0.48008707337970213
Energy: 0.02323168647684277
Energy: 0.023308361013676736
Energy: 1.3582839420926736
Energy: 0.39065106716013864
Energy: 0.5803319757313097
Energy: 0.5819811886303187
Energy: 0.024446572961440538
Energy: 0.14767552045981877
Energy: 0.023010648732758862
Energy: 1.1012773152575652
Energy: 0.8419380585395702
Energy: 0.5799150620760147
Energy: 1.1767803839315887
Energy: 0.14506559170721592
Energy: 0.14744818433320794
Energy: 0.026089224075778097
Energy: 0.5821565186729072
Energy: 0.5812508945076961
Energy: 1.456602688218106
Energy: 1.3563959556708052
Energy: 0.14591384750440745
Energy: 0.023970893252879957
Energy: 0.14531354780569045
Energy: 1.3597402802555516
Energy: 0.39058960367254064
Energy: 0.5812221190269271
Energy: 1.141873155668992
Energy: 0.023642849726411286
Energy: 0.14797209150563284
Energy: 0.023099853499951403
Energy: 1.104102678506518
Energy: 0.5801551616966945
Energy: 0.5796595473156368
Energy: 1.1807665422253417
Energy: 0.14496680445742616
Energy: 0.14730951238892662

minimum gb energy = 0.022494590844875654 eV
minimum distance =  2.44680447147681 Angstroms
sigma value = 5


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

Energy: 1.8495127352825886
Energy: 1.667133269017926
Energy: 1.799743845233732
Energy: 1.7212319647628898
Energy: 1.7203466223033526
Energy: 1.7041167248461238
Energy: 1.7296279777708015
Energy: 1.5945919390273255
Energy: 1.6924723791177618
Energy: 1.5832005077277096
Energy: 1.6987910954030043
Energy: 1.694127326780202
Energy: 1.6232999379843005
Energy: 1.7176117053474333
Energy: 1.6017448492938855
Energy: 1.6961156727445381
Energy: 1.7529282620308202
Energy: 1.7294788411646167
Energy: 1.6768506127284935
Energy: 1.6800618784557433
Energy: 1.6930056461473064
Energy: 1.5913786692754057
Energy: 1.7259035436720405
Energy: 1.620150319306872
Energy: 1.7541279409908361
Energy: 1.72019046552319
Energy: 1.5981789219068485
Energy: 1.7675539202261294
Energy: 1.7582273377110051
Energy: 1.628736109673461
Energy: 1.815627763216769
Energy: 1.6856525632695618
Energy: 1.7114121501681423
Energy: 1.6856104025422798
Energy: 1.698114158799937
Energy: 1.6730812963289623
Energy: 1.6437063948690833
Energy: 1.6139586723388075
Energy: 1.6468700446150564
Energy: 1.6882686366448512
Energy: 1.6287078792565157
Energy: 1.7686059741258084
Energy: 1.613433006167068
Energy: 1.7665541405325886
Energy: 1.8338193154927007
Energy: 1.748592415266656
Energy: 1.715826903087901
Energy: 1.7402206862063925
Energy: 1.7111615726929081
Energy: 1.6649585119924282
Energy: 1.6795919732183018
Energy: 1.7282316026096556
Energy: 1.783185615997952
Energy: 1.6645407221183879
Energy: 1.630833643910298
Energy: 1.7943056748120763
Energy: 1.6868956389343426
Energy: 1.6522592374190854
Energy: 1.7181594456159295
Energy: 1.6383636236007786
Energy: 1.724907086478887
Energy: 1.679309697426783
Energy: 1.7051169640494237
Energy: 1.622818899377866
Energy: 1.6796599462496968
Energy: 1.6985341253985737
Energy: 1.7046161625984442
Energy: 1.7261251060150349
Energy: 1.7349750226527518
Energy: 1.6887774086184846
Energy: 1.6630773859766328
Energy: 1.7743952963284244
Energy: 1.6325106094840238
Energy: 1.7389724718778927
Energy: 1.7940870784929497
Energy: 1.6613772050410245
Energy: 1.6789498798614346
Energy: 1.8663455549029233
Energy: 1.6943225937633137
Energy: 1.64977233807072
Energy: 1.7234193600165315
Energy: 1.6527428210377273
Energy: 1.656907102265317
Energy: 1.6954260637537615
Energy: 1.7008175566475066
Energy: 1.791244836210245
Energy: 1.6626466085663938
Energy: 1.6031268915052992
Energy: 1.826489910041225
Energy: 1.6312916751906588
Energy: 1.713463219940477
Energy: 1.7854767191636334
Energy: 1.783149337948016
Energy: 1.8439858861812919
Energy: 1.7693942946410393
Energy: 1.8099377371097758
Energy: 1.7827871860185323
Energy: 1.6826256041755288
Energy: 1.6013849611594073
Energy: 1.7846336927990443
Energy: 1.6935316066626491
Energy: 1.6753928891918553
Energy: 1.673653978338198
Energy: 1.6590287024702517
Energy: 1.7256434057308494
Energy: 1.739491815026911
Energy: 1.7366724601542443
Energy: 1.7591658346918155
Energy: 1.7395166635762915
Energy: 1.7278192651879303
Energy: 1.6921108683030102
Energy: 1.6356443797250082
Energy: 1.6963887188450824
Energy: 1.665401139967929
Energy: 1.739260414434703
Energy: 1.6886033610539828
Energy: 1.6988042060390312
Energy: 1.7243321391229511
Energy: 1.7545177997790802
Energy: 1.6004769520238575
Energy: 1.6798057325833609
Energy: 1.7502165352267878
Energy: 1.6985757093382507
Energy: 1.6994606404511672
Energy: 1.821818829141781
Energy: 1.689834940675235
Energy: 1.6530052640292996
Energy: 1.8066090879189787
Energy: 1.6100150375863012
Energy: 1.7041512749621106
Energy: 1.6762156637660208
Energy: 1.6903485733697143
Energy: 1.7584889060163125
Energy: 1.850403565909396
Energy: 1.6945810326598802
Energy: 1.6451472679402535
Energy: 1.7341629747078828
Energy: 1.7329844403117414
Energy: 1.8070704307872052
Energy: 1.7094513937584959
Energy: 1.5789785721820078
Energy: 1.7330568181796708
Energy: 1.5870682183034523
Energy: 1.709258266012622
Energy: 1.77643222570637
Energy: 1.6616352936640932
Energy: 1.7603720171610826
Energy: 1.7700987737106502
Energy: 1.7344750795927433
Energy: 1.6870992493831
Energy: 1.7467789537230727
Energy: 1.7534346686748563
Energy: 1.63000247089638
Energy: 1.7135855930735622
Energy: 1.626007134436098
Energy: 1.7820116030708133
Energy: 1.589806969230178
Energy: 1.6683944115965061
Energy: 1.7032913733100115
Energy: 1.6525787062820354
Energy: 1.8221001004262976
Energy: 1.7481954430944198
Energy: 1.726162670951604
Energy: 1.7855133525639573
Energy: 1.9344345663208922
Energy: 1.8299125081386611
Energy: 1.6879637826063107
Energy: 1.6033269967999881
Energy: 1.5965098419459014
Energy: 1.6720805416920874
Energy: 1.5986095190457823
Energy: 1.6624623954989597
Energy: 1.603696241455856
Energy: 1.6444554525797357
Energy: 1.6852980729621454
Energy: 1.700219248259962
Energy: 1.7166978097271224
Energy: 1.7484269119576596
Energy: 1.7312848080969896
Energy: 1.6857761625437329
Energy: 1.7611419658842693
Energy: 1.7468988820439206
Energy: 1.6031457815165058
Energy: 1.8210216099096888
Energy: 1.7568327714773744
Energy: 1.7512070289067967
Energy: 1.7350462544520622
Energy: 1.6429790719322983
Energy: 1.8417049282750533
Energy: 1.732291157785656
Energy: 1.6509326306543957
Energy: 1.713770439235125
Energy: 1.6312562664949983
Energy: 1.6513319314680825
Energy: 1.686434413882531
Energy: 1.7039594005929728
Energy: 1.7147606614763364
Energy: 1.7431717931834525
Energy: 1.6675900704325741
Energy: 1.638461647056937
Energy: 1.6516030590767976
Energy: 1.6652784478348939
Energy: 1.717923574989981
Energy: 1.5944243907832039
Energy: 1.7149623716361986
Energy: 1.7547192152793267
Energy: 1.708826916346067
Energy: 1.7492250954056296
Energy: 1.7172163994486989
Energy: 1.7782088460279726
Energy: 1.6959723174358363
Energy: 1.7675889470607578
Energy: 1.7505852980107726
Energy: 1.7132929978043572
Energy: 1.670514011832371
Energy: 1.7774107764373737
Energy: 1.7133725631615118
Energy: 1.6628360129690267
Energy: 1.7073167730168293
Energy: 1.643234315315289
Energy: 1.6610015471391073
Energy: 1.63097589414273
Energy: 1.645967228088353
Energy: 1.7211414984798183
Energy: 1.621970676632599
Energy: 1.6856195721255154
Energy: 1.6988203883469315
Energy: 1.7277697279216673
Energy: 1.7394303108395335
Energy: 1.7448414266041996
Energy: 1.6687833557814273
Energy: 1.6589128245682119
Energy: 1.7793059975120864
Energy: 1.6011885545409437
Energy: 1.6410980482343918
Energy: 1.7377040233716596
Energy: 1.6699943867394165
Energy: 1.714058139663435
Energy: 1.7225401354786203
Energy: 1.6394872894468078
Energy: 1.610950388835124
Energy: 1.7586792989260447
Energy: 1.7223354998503515
Energy: 1.7266107888941946
Energy: 1.6935525391298698
Energy: 1.6761424139398975
Energy: 1.7951772509190502
Energy: 1.6593783787715577
Energy: 1.6890602143137206
Energy: 1.7762816724503312
Energy: 1.702756152011338
Energy: 1.745100460399994
Energy: 1.7886864385180992
Energy: 1.6923974550908707
Energy: 1.7745523051850793
Energy: 1.7591063341817443
Energy: 1.7271725258718225
Energy: 1.7856896768771977
Energy: 1.7451159486782057
Energy: 1.6265242941455114
Energy: 1.77596896059737
Energy: 1.619110426930762
Energy: 1.6599448524869527
Energy: 1.722746114326092
Energy: 1.656891849924921
Energy: 1.6755513172729586
Energy: 1.6294681031126486
Energy: 1.7298671306803377
Energy: 1.791062758563456
Energy: 1.6885506946314557
Energy: 1.7526134297206875
Energy: 1.7717643115040713
Energy: 1.6407268243192736
Energy: 1.694419149161475
Energy: 1.6330205177313029
Energy: 1.6837782674499755
Energy: 1.6742778676082486
Energy: 1.6953025462319569
Energy: 1.7181837519019199
Energy: 1.7711096258953791
Energy: 1.9102712523676149
Energy: 1.6911488890535238
Energy: 1.761677263505691
Energy: 1.7324780346137776
Energy: 1.7224747234475937
Energy: 1.8235713510122817
Energy: 1.6503418254620288
Energy: 1.6303350963815695
Energy: 1.832552238377797
Energy: 1.5980549941884554
Energy: 1.644268557695004
Energy: 1.667352038691177
Energy: 1.617497177961912
Energy: 1.717890960698798
Energy: 1.8218696588449912
Energy: 1.6104696557592846
Energy: 1.830994305662556
Energy: 1.7683934124862328
Energy: 1.7939045965740712
Energy: 1.7551609194698419
Energy: 1.7033297569759505
Energy: 1.6164669376525027
Energy: 1.831697795784008
Energy: 1.5815552012512162
Energy: 1.721929728937655
Energy: 1.7664845110732086
Energy: 1.6428905632299358
Energy: 1.7065124206347324
Energy: 1.626891222222483
Energy: 1.6279242565593834
Energy: 1.6719885471658549
Energy: 1.753982007101381
Energy: 1.6579070627741557
Energy: 1.6300752895988433
Energy: 1.686899937007647
Energy: 1.6188215322950716
Energy: 1.7662219207734937
Energy: 1.5867154334813778
Energy: 1.7248545960605952
Energy: 1.7273609860008945
Energy: 1.6092045101043069
Energy: 1.6925801322227723
Energy: 1.6217058950259138
Energy: 1.6987788697950101
Energy: 1.7269282510085158
Energy: 1.7098516906591843
Energy: 1.6621796097400807
Energy: 1.723112006416646
Energy: 1.7421465113363706

minimum gb energy = 1.5789785721820078 eV
minimum distance =  2.23034452485593 Angstroms
sigma value = 401


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

Energy: 1.834073932200082
Energy: 1.6807983351961524
Energy: 1.682013611470104
Energy: 1.6466042164359282
Energy: 1.838913709985652
Energy: 1.6980721653621857
Energy: 1.8314575493761414
Energy: 1.6341985654087385
Energy: 1.6587421743906072
Energy: 1.6045554252890883
Energy: 1.661840413959254
Energy: 1.6246248176595632
Energy: 1.795169351865832
Energy: 1.6681128427417296
Energy: 1.6280722550581188
Energy: 1.716261031769654
Energy: 1.6747391167570764
Energy: 1.6623717661768105
Energy: 1.6674489891042512
Energy: 1.830482178095448
Energy: 1.8262351006722821
Energy: 1.62704309266452
Energy: 1.6126918117500733
Energy: 1.6000136390486661
Energy: 1.60536211285377
Energy: 1.6322413769694424
Energy: 1.6573306180615561
Energy: 1.7933662668948676
Energy: 1.6675695842232074
Energy: 1.687245446909531
Energy: 1.6175395074918155
Energy: 1.6901125072048508
Energy: 1.6169800934548826
Energy: 1.6092592613143166
Energy: 1.8303591791529885
Energy: 1.803930882727042
Energy: 1.759779606210395
Energy: 1.6320963308836671
Energy: 1.6728536722279
Energy: 1.6556458093770396
Energy: 1.6344331417076843
Energy: 1.7160048512798625
Energy: 1.7089168573855067
Energy: 1.7132935492691033
Energy: 1.8193829487719562
Energy: 1.610554764539563
Energy: 1.6804768261887308
Energy: 1.8023911099931509
Energy: 1.7671794585632519
Energy: 1.691567542775976
Energy: 1.69684770178502
Energy: 1.6503223845478765
Energy: 1.625992254345975
Energy: 1.7112961430237315
Energy: 1.734803286988192
Energy: 1.6604864034766975
Energy: 1.6273252694039109
Energy: 1.6705140460027919
Energy: 1.672253322066814
Energy: 1.6482321764064873
Energy: 1.6077293345560393
Energy: 1.6955402562329713
Energy: 1.716613309363501
Energy: 1.6426982706879172
Energy: 1.66941693128078
Energy: 1.6718491167893836
Energy: 1.6157768411340336
Energy: 1.7148222524631327
Energy: 1.6673728713365812
Energy: 1.6673126063067574
Energy: 1.6477038406947435
Energy: 1.658366874657268
Energy: 1.6657521608028547
Energy: 1.9854857991316333
Energy: 1.6492277177484962
Energy: 1.6593915730143873
Energy: 1.6571617825327558
Energy: 1.6282131677507468
Energy: 1.6520059268411371
Energy: 1.6741496393296011
Energy: 1.611516156572665
Energy: 1.6456110671328388
Energy: 1.661334101168652
Energy: 1.6474051506965646
Energy: 1.7014786270044604
Energy: 1.7138097040818896
Energy: 1.643870692839222
Energy: 1.7321103404824387
Energy: 1.6138907596260879
Energy: 1.8396093290326432
Energy: 1.7002753426559922
Energy: 1.6277281031974538
Energy: 1.6078006224937902
Energy: 1.70088528681135
Energy: 1.6190149473289321
Energy: 1.6463939887162267
Energy: 1.6577768113218136
Energy: 1.7856430351501127
Energy: 1.6937182731113907
Energy: 1.7061580333456297
Energy: 1.642673960382285
Energy: 1.6523080760854323
Energy: 1.633094781982997
Energy: 1.6208273517714094
Energy: 1.705956935728658
Energy: 1.842431218319924
Energy: 1.752508968538631
Energy: 1.636463557108828
Energy: 1.6551162540015723
Energy: 1.6581421971954238
Energy: 1.6485038488575865
Energy: 1.7113363315000059
Energy: 1.6608993292981684
Energy: 1.6791581546087213
Energy: 1.678418871656426
Energy: 1.6228227896068645
Energy: 1.6354363949485817
Energy: 1.6582722501732576
Energy: 1.7154955746054354
Energy: 1.6364173237513686
Energy: 1.7792516642447833
Energy: 1.6370147851760686
Energy: 1.6296446720507727
Energy: 1.6370439056249129
Energy: 1.7393513447927076
Energy: 1.7175004693435294
Energy: 1.6648238158189823
Energy: 1.6675495503893651
Energy: 1.6068365784195675
Energy: 1.6453671335051863
Energy: 1.6545774361172683
Energy: 1.7700047369012304
Energy: 1.739368369000659
Energy: 1.6398015652430005
Energy: 1.7278783794423092
Energy: 1.6448866867249365
Energy: 1.9085865041663934
Energy: 1.6234415834086318
Energy: 1.6551325996316195
Energy: 1.6699927836077395
Energy: 1.6586326204535773
Energy: 1.6701418431015047
Energy: 1.6977587922607131
Energy: 1.6492396104622058
Energy: 1.627702093656185
Energy: 1.6720122601964003
Energy: 1.6563821712033748
Energy: 1.6577481048056337
Energy: 1.6647670612796683
Energy: 1.677068535623436
Energy: 1.6259137816056906
Energy: 1.8072107142880323
Energy: 1.6731820007153626
Energy: 1.653523086187167
Energy: 1.6485274342703442
Energy: 1.685384681051135
Energy: 1.6452950951647058
Energy: 1.686058813273507
Energy: 1.6344908737788226
Energy: 1.8024904679463634
Energy: 1.7106728199451984
Energy: 1.925482756213411
Energy: 1.7086907830913451
Energy: 1.8168570879507961
Energy: 1.6292257451346108
Energy: 1.646295720988123
Energy: 1.7685687377463064
Energy: 1.796588029061387
Energy: 1.7250057410363449
Energy: 1.7394600391693826
Energy: 1.632313251831556
Energy: 1.6291575109016507
Energy: 1.6553835244696495
Energy: 1.6738660839320336
Energy: 1.6897993675168943
Energy: 1.8448854818872116
Energy: 1.714553296455599
Energy: 1.6375367554588005
Energy: 1.6599331821303789
Energy: 1.6165890123563833
Energy: 1.6411930768005332
Energy: 1.7346444807737507
Energy: 1.7459982059099102
Energy: 1.6364018127951954
Energy: 1.6107208773601998
Energy: 1.6324876080520583
Energy: 1.6419985379708162
Energy: 1.657094349444782
Energy: 1.7896792357703504
Energy: 1.7542166105689938
Energy: 1.759648017633469
Energy: 1.6483768218117578
Energy: 1.630208501452176
Energy: 1.6429186852975661
Energy: 1.764659397417126
Energy: 1.8286258596475438
Energy: 1.7536832198773524
Energy: 1.7030615213334122
Energy: 1.6655003647595947
Energy: 1.6089934017221466
Energy: 1.651285322875947
Energy: 1.7297680582127828
Energy: 1.6638435334026866
Energy: 1.6493968674957795
Energy: 1.6812531306810294
Energy: 1.6454475172888101
Energy: 1.6861975973822647
Energy: 1.7631311120780693
Energy: 1.623213251251854
Energy: 1.702816352874558
Energy: 1.648886970778025
Energy: 1.6457035947642689
Energy: 1.6942480212649202
Energy: 1.6082141369238991
Energy: 1.6170754444989937
Energy: 1.6656305726842755
Energy: 1.6439683247403178
Energy: 1.6482413626150407
Energy: 1.6580070046176505
Energy: 1.6995619320851363
Energy: 1.649704469365669
Energy: 1.7604302547400308
Energy: 1.6741394595872194
Energy: 1.643812784639485
Energy: 1.6492004653534755
Energy: 1.7004737801149814
Energy: 1.6457706338765006
Energy: 1.6181266818233073
Energy: 1.6594910559193918
Energy: 1.7338028102462568
Energy: 1.640748361002942
Energy: 1.647964518396201
Energy: 1.719548388620337
Energy: 1.7534027417365579
Energy: 1.6679962952278122
Energy: 1.6484980903710202
Energy: 1.8439401965663518
Energy: 1.7888144984435779
Energy: 1.6387052423351771
Energy: 1.6907555144585298
Energy: 1.671489632122274
Energy: 1.649122001513635
Energy: 1.6433681588781386
Energy: 1.6353783926792698
Energy: 1.6316472617425881
Energy: 1.8512228975620624
Energy: 1.7456059040856358
Energy: 1.652582172601718
Energy: 1.6414744803928794
Energy: 1.61158110398879
Energy: 1.642195146170674
Energy: 1.685060175430347
Energy: 1.6934126145529058
Energy: 1.6774792682446666
Energy: 1.6160349299967474
Energy: 1.6475414874852279
Energy: 1.6471391619997249
Energy: 1.6565207643119135
Energy: 1.8362570680979569
Energy: 1.9138799095456267
Energy: 1.699528786615225
Energy: 1.603074354862768
Energy: 1.686755124608993
Energy: 1.6122299330178083
Energy: 1.8067913327258813
Energy: 1.7680243541645255
Energy: 1.6962125912190276
Energy: 1.657462937209384
Energy: 1.6016479360035003
Energy: 1.6571675315745253
Energy: 1.6798002054429129
Energy: 1.751902211804583
Energy: 1.7130551519494541
Energy: 1.6546535362710502
Energy: 1.6722783354843471
Energy: 1.6446887271433692
Energy: 1.732040057866618
Energy: 1.8321483963040206
Energy: 1.711881590402278
Energy: 1.717907643264529
Energy: 1.648464551032059
Energy: 1.6443929211927344
Energy: 1.7002545689783626
Energy: 1.6661382848775503
Energy: 1.6446495539296664
Energy: 1.6428665905550335
Energy: 1.648664063867403

minimum gb energy = 1.6000136390486661 eV
minimum distance =  2.23049015680136 Angstroms
sigma value = 311


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

Energy: 1.6562621264477393
Energy: 1.7320038334622883
Energy: 1.7623780195707548
Energy: 1.6508462940316995
Energy: 1.7134579897743654
Energy: 1.702980884331898
Energy: 1.685024238485482
Energy: 1.6716893879567778
Energy: 1.6805688307282307
Energy: 1.6994443177380072
Energy: 1.6804242098969824
Energy: 1.714176370860537
Energy: 1.6820229873729258
Energy: 1.7203445425678576
Energy: 1.7253114765627173
Energy: 1.7012791988445113
Energy: 1.7054401710915756
Energy: 1.6511547158625317
Energy: 1.7259313867517982
Energy: 1.6622717024874112
Energy: 1.7020207999999193
Energy: 1.664016712816814
Energy: 1.7213907732235836
Energy: 1.6574930562238752
Energy: 1.660590888421708
Energy: 1.6770702163588338
Energy: 1.7232214886089883
Energy: 1.724793240519411
Energy: 1.7813963345965087
Energy: 1.700701441220706
Energy: 1.7010378268563153
Energy: 1.6873433112209253
Energy: 1.6906032157874291
Energy: 1.812761375663021
Energy: 1.800517431160685
Energy: 1.6672228619125937
Energy: 1.716932009114077
Energy: 1.6746387382561962
Energy: 1.6210764551127395
Energy: 1.6926598422572996
Energy: 1.6669814950965853
Energy: 1.6666704808599841
Energy: 1.6991771132148168
Energy: 1.699761876697432
Energy: 1.7250518180301582
Energy: 1.6808049647427277
Energy: 1.7101691564645298
Energy: 1.7644174194949631
Energy: 1.7884531150186178
Energy: 1.6733149735305153
Energy: 1.7180930040051032
Energy: 1.7055281770698314
Energy: 1.74314042276652
Energy: 1.7547519841608468
Energy: 1.7429620490588302
Energy: 1.7367172360275422
Energy: 1.6964669288646204
Energy: 1.6589244793888933
Energy: 1.6933842884322414
Energy: 1.6756076059011937
Energy: 1.6983964952851696
Energy: 1.6382713071328798
Energy: 1.6950895648014164
Energy: 1.659220681974189
Energy: 1.7523329981838844
Energy: 1.6851659109918897
Energy: 1.7502725388427975
Energy: 1.6593575184073248
Energy: 1.6635185654466256
Energy: 1.6676791729514624
Energy: 1.7392976092532348
Energy: 1.7640398892040456
Energy: 1.770765390967249
Energy: 1.7502398742445582
Energy: 1.7581219275628026
Energy: 1.6990465719332717
Energy: 1.7030895567387407
Energy: 1.6662665614718235
Energy: 1.7041988248164817
Energy: 1.664701956682835
Energy: 1.6636021761942568
Energy: 1.7066202573038287
Energy: 1.6640157853733188
Energy: 1.7042156774682211
Energy: 1.7742103033258045
Energy: 1.7019663566565661
Energy: 1.697404601799481
Energy: 1.6581585080677932
Energy: 1.6578448011268425
Energy: 1.6537919641859122
Energy: 1.7275615115297167
Energy: 1.7894214226259382
Energy: 1.6423843139893535
Energy: 1.6875336373772531
Energy: 1.750767498480045
Energy: 1.7487917983221046
Energy: 1.7588897480064665
Energy: 1.7646325575413875
Energy: 1.7381610265770506
Energy: 1.6941439486766516
Energy: 1.722780528564571
Energy: 1.6568066683913154
Energy: 1.7237668460937852
Energy: 1.6748406804251523
Energy: 1.6358829959990577
Energy: 1.6632671721069234
Energy: 1.7850563546163805
Energy: 1.6615992129431958
Energy: 1.7068835080464753
Energy: 1.713080117100715
Energy: 1.6534160464567118
Energy: 1.6759423229562953
Energy: 1.7214972703384972
Energy: 1.675566239448433
Energy: 1.6924604537245007
Energy: 1.8293024165747753
Energy: 1.7379711677674037
Energy: 1.690658733757493
Energy: 1.765311169116442
Energy: 1.6118638549817426
Energy: 1.7838416113028264
Energy: 1.7269794377602197
Energy: 1.633502315610973
Energy: 1.6734981341874131
Energy: 1.6367606568043909
Energy: 1.693324343014223
Energy: 1.7009250440560622
Energy: 1.7915097237138158
Energy: 1.7137285906559678
Energy: 1.6185468258522768
Energy: 1.7332843536626668
Energy: 1.6570732878721017
Energy: 1.7371998848366828
Energy: 1.7985607505008585
Energy: 1.6945896539625576
Energy: 1.7785738048622208
Energy: 1.7136257563491937
Energy: 1.830889639221295
Energy: 1.7341444647029565
Energy: 1.8582948686675642
Energy: 1.697344955814852
Energy: 1.6421862246343042
Energy: 1.7295216291059228
Energy: 1.6627279518277078
Energy: 1.6536374960581242
Energy: 1.6793171590013436
Energy: 1.7772883190692814
Energy: 1.6868227730780356
Energy: 1.769925993438843
Energy: 1.654285766601323
Energy: 1.6446039432525443
Energy: 1.6901017468991102
Energy: 1.6515243948034088
Energy: 1.6887284848398918
Energy: 1.7315105019464052
Energy: 1.7075823649916901
Energy: 1.7107859482227648
Energy: 1.700664713220716
Energy: 1.7327435969164118
Energy: 1.699419512067512
Energy: 1.7385027065241196
Energy: 1.6608948905875536
Energy: 1.8032497981732052
Energy: 1.6522691339451436
Energy: 1.693528237368809
Energy: 1.6954985303130217
Energy: 1.6539347341407309
Energy: 1.769330878216953
Energy: 1.7041336878857847
Energy: 1.7766757607941157
Energy: 1.714185728499453
Energy: 1.6466546239333968
Energy: 1.6681950860882764
Energy: 1.7277500987399352
Energy: 1.7904895751373653
Energy: 1.734489470026809
Energy: 1.6991439302755655
Energy: 1.7667579453630045
Energy: 1.7480410989207176
Energy: 1.9104416524088048
Energy: 1.756295189108456
Energy: 1.8355539882851717
Energy: 1.7096093395417697
Energy: 1.7432021296528306
Energy: 1.7066041692272593
Energy: 1.684135384507077
Energy: 1.6591743813886528
Energy: 1.6635067324294133
Energy: 1.6942867248336118
Energy: 1.6427005353467545
Energy: 1.711212001996296
Energy: 1.7531078406509775
Energy: 1.6960891653958674
Energy: 1.6577282418096166
Energy: 1.6125049654054633
Energy: 1.665919370316675
Energy: 1.7205728315205835
Energy: 1.7504038252187153
Energy: 1.7694892329909824
Energy: 1.7380434465534063
Energy: 1.7446515763140102
Energy: 1.738714206290903
Energy: 1.7277930138679327
Energy: 1.7328500109088016
Energy: 1.7144860474063284
Energy: 1.669742250711944
Energy: 1.690189355674578
Energy: 1.7091677968192942
Energy: 1.6895314076689427
Energy: 1.6853569127137475
Energy: 1.775236166560376
Energy: 1.7467361811429984
Energy: 1.7712499568491953
Energy: 1.6594367286855447
Energy: 1.6902929311473482
Energy: 1.6408103314084561
Energy: 1.7759574468864632
Energy: 1.718140820290026
Energy: 1.6902231527019491
Energy: 1.6825370566254936
Energy: 1.7550684841626563
Energy: 1.8765668451561441
Energy: 1.804149830272161
Energy: 1.8549225553839004
Energy: 1.6966811428210695
Energy: 1.6509018795496797
Energy: 1.7137305370506486
Energy: 1.6688923478904774
Energy: 1.7346302328607135
Energy: 1.6797569481399743
Energy: 1.7413317787395362
Energy: 1.6662089180769857
Energy: 1.6544680499037072
Energy: 1.6928450053174742
Energy: 1.7198234117597448
Energy: 1.6990779020373932
Energy: 1.6825264248036724
Energy: 1.69195566815623
Energy: 1.702654360207028
Energy: 1.751288327257308
Energy: 1.7289121533979155
Energy: 1.8615390556248181
Energy: 1.7292555250028063
Energy: 1.831019511994764
Energy: 1.7560440858971733
Energy: 1.6763483497762566
Energy: 1.7518593430538192
Energy: 1.6594713305743465
Energy: 1.746138989913471
Energy: 1.679509054845823
Energy: 1.6732191158926233
Energy: 1.645468581869026

minimum gb energy = 1.6118638549817426 eV
minimum distance =  2.25347272469778 Angstroms
sigma value = 39


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

Energy: 1.6634919975906142
Energy: 1.5747250900178358
Energy: 2.073300404489755
Energy: 1.948580263624719
Energy: 1.702315300229617
Energy: 1.7502154983948282
Energy: 1.6315112478908254
Energy: 1.573820386841472
Energy: 1.7090825554001075
Energy: 1.726233553114833
Energy: 1.701328873832833
Energy: 1.6629864609321292
Energy: 1.6873286720320164
Energy: 1.7921627235360449
Energy: 1.6623321093350933
Energy: 1.6398947985635657
Energy: 1.6234769950278058
Energy: 1.7247416638080943
Energy: 1.6635165072295581
Energy: 1.7667221330671494
Energy: 1.790380465323083
Energy: 1.676691946093679
Energy: 1.6917996996788376
Energy: 1.781551654746695
Energy: 1.6832061509536729
Energy: 1.701780053576918
Energy: 1.784210999889254
Energy: 1.746111885328233
Energy: 1.6122665405174892
Energy: 1.6625508553998085
Energy: 1.779033344920738
Energy: 1.6971843008038097
Energy: 1.7353218202276846
Energy: 1.7806934064689626
Energy: 1.6106975870473623
Energy: 1.5748654598413308
Energy: 1.6457123654740662
Energy: 1.6255868930189081
Energy: 1.6774533441035793
Energy: 1.7421142021803877
Energy: 1.7267353809142585
Energy: 1.6205688746461442
Energy: 1.78955158122985
Energy: 1.670297550567768
Energy: 1.6200952019825323
Energy: 1.7206740105098441
Energy: 1.653855322098228
Energy: 1.6287992457681966
Energy: 1.646655719272462
Energy: 1.5487417026396169
Energy: 1.6014097180695541
Energy: 1.796352740320244
Energy: 1.6928899163101054
Energy: 1.7643946761110232
Energy: 1.6959733181646053
Energy: 1.6115242883052847
Energy: 1.545358049273102
Energy: 1.6009489314200733
Energy: 1.797975253300244
Energy: 1.6870834222467033
Energy: 1.669358051252895
Energy: 1.6970187220757387
Energy: 1.6112375977298747
Energy: 1.6989790849346225
Energy: 1.6835398521916596
Energy: 1.727441776568157
Energy: 1.7216640327848247
Energy: 1.6949488880493369
Energy: 1.707759095624418
Energy: 1.7086090119541055
Energy: 1.674301824388831
Energy: 1.6270217032392669
Energy: 1.7822272299253565
Energy: 1.6755097877570433
Energy: 1.6801371392127211
Energy: 1.717145596356411
Energy: 1.6875889865102816
Energy: 1.6527991356173828
Energy: 1.6578972796589797
Energy: 1.7420515366266816
Energy: 1.668284056846317
Energy: 1.7208449987185515
Energy: 1.6820401407795371
Energy: 1.6490921001319367
Energy: 1.5752120011357458
Energy: 1.6480973504699439
Energy: 1.7735171451330587
Energy: 1.72536791180309
Energy: 1.7614469085318287
Energy: 1.7872403111338055
Energy: 1.6144240631140445
Energy: 1.7070677712819367
Energy: 1.6434649066875116
Energy: 1.6203337343748117
Energy: 1.7217139934167331
Energy: 1.6624916600868922
Energy: 1.6302849603248994
Energy: 1.7008969094958626
Energy: 1.567293917726808
Energy: 1.6754336956411402
Energy: 1.6253046671429128
Energy: 1.703170588207826
Energy: 1.602178452433081
Energy: 1.5980104238434545
Energy: 1.622718031496914
Energy: 1.5473539308085384
Energy: 1.6549782096097994
Energy: 1.9240324483696318
Energy: 1.7621435642640986
Energy: 1.7382257966759174
Energy: 1.7836782041474952
Energy: 1.5471396422391273
Energy: 1.6175553301196754
Energy: 1.6535020220368144
Energy: 1.7281534017520512
Energy: 1.7304043573255439
Energy: 1.6704271546423293
Energy: 1.6972949236062367
Energy: 1.7235750000376793
Energy: 1.6307164330097803
Energy: 1.6442033106232692
Energy: 1.6229432966912434
Energy: 1.7237618841635474
Energy: 1.6697300873975125
Energy: 1.7035504092908325
Energy: 1.719212251405195
Energy: 1.6771299365306367
Energy: 1.6250431822941365
Energy: 1.7503589762352154
Energy: 1.7198864576923685
Energy: 1.725223400755557
Energy: 1.7837763046874178
Energy: 1.7728740031589765
Energy: 1.6444733904265103
Energy: 1.6566280565747298
Energy: 1.7833092590357082
Energy: 1.7066549505029773
Energy: 1.7366856777233481
Energy: 1.7587932339221797
Energy: 1.6114671931136328
Energy: 1.5752048167905424
Energy: 1.6453702713866218
Energy: 1.624283690804925
Energy: 1.6769478655268026
Energy: 1.7380894012180472
Energy: 1.6366699973395327
Energy: 1.6566162266537987
Energy: 1.7936525491656787
Energy: 1.6826546476849695
Energy: 1.6204650862736087
Energy: 1.6808466873392094
Energy: 1.6586559593590007
Energy: 1.6029892757436899
Energy: 1.6779818502434674
Energy: 1.5484108181396297
Energy: 1.6013265246306672
Energy: 1.7948898677344338
Energy: 1.674596771607261
Energy: 1.8114204290894333
Energy: 1.6970205626763297
Energy: 1.61154398800023
Energy: 1.5449153293892797
Energy: 1.6013347104657343
Energy: 1.798213747003885
Energy: 1.6862759366846154
Energy: 1.6707172514033757
Energy: 1.6958286479013573
Energy: 1.6013625583736137
Energy: 1.7971598790468173
Energy: 1.6558001460668985
Energy: 1.7479844994427194
Energy: 1.721303508568389
Energy: 1.7398345033079536
Energy: 1.7171719087176862
Energy: 1.7079747461650394
Energy: 1.6761065672840796
Energy: 1.6268450738192481
Energy: 1.7616505184650022
Energy: 1.6765029361116066
Energy: 1.665863783235956
Energy: 1.6752619234007862
Energy: 1.7313574196683594
Energy: 1.631035238260748
Energy: 1.6674864372915785
Energy: 1.7524122297230276
Energy: 1.6703681835017516
Energy: 1.6985070387930576
Energy: 1.6808910741548024
Energy: 1.630561671607842
Energy: 1.5761439680225477
Energy: 1.6608979316075252
Energy: 1.8520743995463518
Energy: 1.696966235383035
Energy: 1.7600145580245967
Energy: 1.7871015827210255
Energy: 1.6645109710072827
Energy: 1.7004499194122742
Energy: 1.639801026802251
Energy: 1.6198749582497958
Energy: 1.7226515628845236
Energy: 1.5923358677380546
Energy: 1.5946737480831896
Energy: 1.742446682108124
Energy: 1.5923893544182017
Energy: 1.681609213192577
Energy: 1.6256130285780739
Energy: 1.6791429197309387
Energy: 1.593454271323145
Energy: 1.5880789417541838
Energy: 1.7320776984586275

minimum gb energy = 1.5449153293892797 eV
minimum distance =  2.21725618905218 Angstroms
sigma value = 21


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

Energy: 2.060287959242646
Energy: 1.8888190144587136
Energy: 1.7042562740394003
Energy: 1.8199473360052845
Energy: 1.8109814686760841
Energy: 1.7341241554699243
Energy: 1.8503808935603385
Energy: 1.7410059771162114
Energy: 1.6894106681045689
Energy: 1.6822496356128305
Energy: 1.5958068645177492
Energy: 1.6706735760399627
Energy: 1.9024872098646628
Energy: 1.6720737676630388
Energy: 1.6694117700212145
Energy: 1.596449368514684
Energy: 1.6661432833005043
Energy: 1.647575253303836
Energy: 1.7026634161038225
Energy: 1.6506328362422769
Energy: 1.6987271892840918
Energy: 1.8084067148104064
Energy: 1.6063514272367012
Energy: 1.6898452585053865
Energy: 1.6553048911796935
Energy: 1.6539714348986243
Energy: 1.771272263770969
Energy: 1.7610568605669832
Energy: 1.6469455814043945
Energy: 1.599242250080862
Energy: 1.6601307989114176
Energy: 1.5791823111858567
Energy: 1.5781927582930486
Energy: 1.6611039886161916
Energy: 1.6569568089231042
Energy: 1.6259526300911467
Energy: 1.640472008208909
Energy: 1.7776636799640004
Energy: 1.6309098025055555
Energy: 1.6330482554439738
Energy: 1.621876707598421
Energy: 1.6451498242859122
Energy: 1.8030905722118455
Energy: 1.636633164592415
Energy: 1.607933914275941
Energy: 1.6439095126589869
Energy: 1.6059169927270676
Energy: 1.6533289478794047
Energy: 1.6337570019736258
Energy: 1.784725031071881
Energy: 1.60060404745344
Energy: 1.6779244062373408
Energy: 1.6906113741166051
Energy: 1.6344875291538012
Energy: 1.655202623796172
Energy: 1.655504025936494
Energy: 1.6252565241244663
Energy: 1.6309381718065052
Energy: 1.6882499486872786
Energy: 1.6712129630996149
Energy: 1.6154370289178868
Energy: 1.895456157866558
Energy: 1.6505871287530365
Energy: 1.917700267247753
Energy: 1.8785050108204282
Energy: 1.5998445155144896
Energy: 1.8372718888392774
Energy: 1.6821803667918436
Energy: 1.6357046808918312
Energy: 1.86928511402299
Energy: 1.6594292823624814
Energy: 1.6794876922319955
Energy: 1.6541939627629223
Energy: 1.7228543282616848
Energy: 1.8054939715348288
Energy: 1.7629605665154315
Energy: 1.6491535229555538
Energy: 1.8380986870364926
Energy: 1.6864142263628559
Energy: 1.7004691004023857
Energy: 1.7656493633745163
Energy: 1.7822543397303567
Energy: 1.9199037929005751
Energy: 1.6737624327529146
Energy: 1.9183585004242647
Energy: 1.9145205012453146
Energy: 1.5989695725339337
Energy: 1.8513542934620115
Energy: 1.6805636640034403
Energy: 1.7975867317394219
Energy: 1.874935463362239
Energy: 1.915755642075739
Energy: 1.7034540546835175
Energy: 1.6197483439450322
Energy: 1.781081647308087
Energy: 1.5325450848908746
Energy: 1.6410443026867159
Energy: 1.6410205647375453
Energy: 1.858744052661116
Energy: 1.6443441954290048
Energy: 1.7923908402164386
Energy: 1.7533734352509485
Energy: 1.8724058962265133
Energy: 1.877553011834863
Energy: 1.6254014070770262
Energy: 1.9313461161730807
Energy: 1.6458888675396655
Energy: 1.6076796383519645
Energy: 1.6904679003933902
Energy: 1.7125806653264832
Energy: 1.6426636418129634
Energy: 1.6254421713381308
Energy: 1.5547173468323763
Energy: 1.7910675193273515
Energy: 1.621408566666198
Energy: 1.5877529533565793
Energy: 1.5749132034669502
Energy: 1.6045171102216853
Energy: 1.6924542833776381
Energy: 1.6265698661778971
Energy: 1.6086625076137486
Energy: 1.7901779141505076
Energy: 1.571918777985834
Energy: 1.5741911956589683
Energy: 1.6545750676702313
Energy: 1.5540462269306492
Energy: 1.5869278638535145
Energy: 1.6274818549355956
Energy: 1.7141542562502723
Energy: 1.6119800947606269
Energy: 1.5893515969214793
Energy: 1.6432021707685087
Energy: 1.6289849314365277
Energy: 1.6228871849767128
Energy: 1.6204519770785593
Energy: 1.6853500068304437
Energy: 1.6324457347072976
Energy: 1.6641769905009067
Energy: 1.7357492719598564
Energy: 1.6304931270710952
Energy: 1.6804722568586796
Energy: 1.6697635280778127
Energy: 1.74617193111522
Energy: 1.6693892325026525
Energy: 1.5985013149505638
Energy: 1.8286039328014816
Energy: 1.7817392471385953
Energy: 1.7442067714868579
Energy: 1.613094551276304
Energy: 1.6427739152078913
Energy: 1.6519171675388327
Energy: 1.6839898991414972
Energy: 1.692778315056349
Energy: 1.6429518263738196
Energy: 1.9757635565503162
Energy: 1.709559598652435
Energy: 1.8191214368111888
Energy: 1.8273764185733004
Energy: 1.743455620131147
Energy: 1.6559486374391696
Energy: 1.6624347146729377
Energy: 1.6227377266264598
Energy: 1.6994134470752587
Energy: 1.7423803164763376
Energy: 1.7080711166291347
Energy: 1.959742301052628
Energy: 1.8850962600764796
Energy: 1.7584062081383418
Energy: 1.8153043002555251
Energy: 1.6830622507201924
Energy: 1.8404124203032814
Energy: 1.6147183595836394
Energy: 1.7256747970307127
Energy: 1.6549193197860226
Energy: 1.6756808401555405

minimum gb energy = 1.5325450848908746 eV
minimum distance =  2.20530326683625 Angstroms
sigma value = 113


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

Energy: 1.914626789784561
Energy: 1.8683448614097207
Energy: 2.0535148817674185
Energy: 1.7312191455542887
Energy: 2.0154384652970623
Energy: 1.8907554278034882
Energy: 1.7203838292288638
Energy: 2.0658298914055573
Energy: 1.9331657553029793
Energy: 2.026876888836537
Energy: 1.760613917749024
Energy: 1.8973485724985477
Energy: 2.05047144035112
Energy: 1.662191250309171
Energy: 1.9827724128186828
Energy: 1.7792590110635658
Energy: 1.8200678654887015
Energy: 1.9078735288726796
Energy: 1.982437436724301
Energy: 1.8094396316237549
Energy: 1.7225701113607939
Energy: 1.897846600438074
Energy: 1.9623484428159104
Energy: 1.891316492674537
Energy: 1.9709414047052256
Energy: 1.958340192076362
Energy: 1.8882764445259426
Energy: 1.9962857443010134
Energy: 1.5451953680888297
Energy: 1.9434292659719659
Energy: 1.8693698010639725
Energy: 1.8148404549866406
Energy: 1.7475435900899516
Energy: 1.7432025900534416
Energy: 1.8976918170046835
Energy: 1.7085018460913843
Energy: 1.771217478619918
Energy: 1.744041022014003
Energy: 1.6944356822377356
Energy: 1.7404042118821452
Energy: 1.7651790294467045
Energy: 1.7859169412866607
Energy: 1.7477880116583913
Energy: 1.7423133022470434
Energy: 1.7456773336550266
Energy: 1.7269759108631237
Energy: 1.8196274901987533
Energy: 1.7506676251705333
Energy: 1.726627488668137
Energy: 1.718629724783304
Energy: 1.614794096393544
Energy: 1.6522995119261694
Energy: 1.8026258045026586
Energy: 1.9058233640751063
Energy: 1.767035911171266
Energy: 1.634568079625988
Energy: 1.5553349478546614
Energy: 1.7355465055873314
Energy: 1.7255379782057212
Energy: 1.5935693469222376
Energy: 1.7728264305915853
Energy: 1.7973974585378467
Energy: 1.7727676238653085
Energy: 1.8631551542168303
Energy: 1.779483611273433
Energy: 1.5833526463409817
Energy: 1.6329386285465026
Energy: 1.6308823219756736
Energy: 1.6988336107026971
Energy: 1.592610324952451
Energy: 1.7039291297121437
Energy: 1.653157461852163
Energy: 1.6405729612123117
Energy: 1.7066945714776567
Energy: 1.6872529233651021
Energy: 1.8524149771645666
Energy: 1.6693851406395068
Energy: 1.594465687568693
Energy: 1.602076087016708
Energy: 1.798016220376119
Energy: 1.8480617586368693
Energy: 1.7632085803106003
Energy: 1.8703692342955478
Energy: 1.6876286985923987
Energy: 1.7206519506298918
Energy: 1.6026715511471261
Energy: 1.699400654935254
Energy: 1.916726590587095
Energy: 1.7491821546135278
Energy: 1.6897844591889566
Energy: 1.6067302612190832
Energy: 1.8023183543828325
Energy: 1.6324057284433056
Energy: 1.7523848011983991
Energy: 1.6627122445243692
Energy: 1.6050474613817725
Energy: 1.7687590005180545
Energy: 1.641702048920595
Energy: 1.6292471422366603
Energy: 1.8923862867438084
Energy: 1.7929800969504845
Energy: 1.6747222561487525
Energy: 1.6869456427011553
Energy: 1.7419932221189736
Energy: 1.7760125523666834
Energy: 1.547294512244405
Energy: 1.787451085397623
Energy: 1.7600604011883665
Energy: 1.7900168812447292
Energy: 1.7407669788627593
Energy: 1.7831119737151395
Energy: 1.7666050557549906
Energy: 1.7497983867954405
Energy: 1.7355565639523323
Energy: 1.8070678525535575
Energy: 1.8511328160175087
Energy: 1.8640103433482547
Energy: 1.9138230296721366
Energy: 1.7657660520169878
Energy: 1.7854724773901405
Energy: 1.8469214045663498
Energy: 1.8350265400349657
Energy: 1.9421407438673348
Energy: 1.8812845722740699
Energy: 1.8906253873238619
Energy: 1.8707644130791807
Energy: 1.9059694238106109
Energy: 1.9405192723677742
Energy: 1.7403359822264737
Energy: 1.786233715700358
Energy: 1.916954124598241
Energy: 1.7064949433212764
Energy: 1.8705754648843178
Energy: 1.919454600540938
Energy: 1.9710414009607589
Energy: 1.9380928222454197
Energy: 2.055264466035042
Energy: 1.8048410561119033
Energy: 1.8882972730501921
Energy: 1.8233424315830744
Energy: 1.9833573413599592
Energy: 1.8606747783099506
Energy: 1.756910367543353
Energy: 1.9148060476744786
Energy: 1.8644788156533616
Energy: 1.8993796142713073
Energy: 1.6679351839934442
Energy: 1.9812780715860565
Energy: 1.9215193744046675
Energy: 1.857514985030866
Energy: 2.0397495166370914
Energy: 1.9252330765348198
Energy: 1.894204541028625
Energy: 1.6690696505851217
Energy: 1.899222272919328
Energy: 1.865216359197226
Energy: 2.0388179835644253
Energy: 1.9358696577020607
Energy: 1.9227384614065313
Energy: 1.8887067829963669
Energy: 1.9194567540877336
Energy: 2.0650554670161405
Energy: 1.9353732142847273
Energy: 1.700802514904393
Energy: 1.7050593165282988
Energy: 1.6992139902022552
Energy: 1.6644335671652506
Energy: 1.6626828063300416
Energy: 1.724994390878996
Energy: 1.7242384890696982
Energy: 1.8236595729999798
Energy: 1.9061486300957617
Energy: 1.932922500809048
Energy: 1.91486187785133
Energy: 1.7207492679817848
Energy: 1.8371576574130428
Energy: 2.0198952433398896
Energy: 1.892350443737754
Energy: 1.9679997314699549
Energy: 1.96167680178023
Energy: 1.888670856400957
Energy: 1.835492767819729
Energy: 1.6455987033809978
Energy: 1.8156838683637004
Energy: 1.864523397908936
Energy: 1.815193943578518
Energy: 1.7805396741383162
Energy: 1.7390134152434744
Energy: 1.8242834047231336
Energy: 1.7064773367648178
Energy: 1.8315260667000646
Energy: 1.7443955655448995
Energy: 1.7040773169860821
Energy: 1.7384831838014456
Energy: 1.7945306235445153
Energy: 1.8270008857614237
Energy: 1.8776976048988647
Energy: 1.748623247904574
Energy: 1.7638273536071034
Energy: 1.8040679242973392
Energy: 1.8267402670825381
Energy: 1.7958489682668364
Energy: 1.7277214975971058
Energy: 1.7165169962651505
Energy: 1.6136423466673102
Energy: 1.6973874201760955
Energy: 1.6732011642153333
Energy: 1.7642544338586528
Energy: 1.6728547603761428
Energy: 1.6459811959708015
Energy: 1.5621302607328615
Energy: 1.7073646334247996
Energy: 1.726483403494991
Energy: 1.6786754530269437
Energy: 1.788110046850785
Energy: 1.7981951985986566
Energy: 1.681395699083758
Energy: 1.6168792547418027
Energy: 1.724780672941505
Energy: 1.7595096601636144
Energy: 1.6115041786608169
Energy: 1.6221664508542244
Energy: 1.7946820828469356
Energy: 1.5963036922065166
Energy: 1.6967221907081222
Energy: 1.6241826696789892
Energy: 1.6399558767875235
Energy: 1.7173725051234137
Energy: 1.6076769946988052
Energy: 1.7468595528092725
Energy: 1.6469060003554674
Energy: 1.5422868939395764
Energy: 1.6026048310482295
Energy: 1.7945082043545009
Energy: 1.7819375929186847
Energy: 1.8510693356017054
Energy: 1.8715617685071195
Energy: 1.6090541140870431
Energy: 1.7233358840551465
Energy: 1.6106391877365964
Energy: 1.6957259012451624
Energy: 1.6134574634282792
Energy: 1.7488849915853832
Energy: 1.7102380576054739
Energy: 1.6073317776321938
Energy: 1.8987618681495038
Energy: 1.6448063341406447
Energy: 1.753603594185514
Energy: 1.7161455924754154
Energy: 1.6027676059138067
Energy: 1.7653170176842001
Energy: 1.6113465822132462
Energy: 1.6303653275217491
Energy: 1.6949733315716182
Energy: 1.7233199777098875
Energy: 1.6034814891818847
Energy: 1.6853832315411654
Energy: 1.7419033153422046
Energy: 1.674265426329001
Energy: 1.5464942371314347
Energy: 1.774868684118554
Energy: 1.7636484960471097
Energy: 1.6850454273401498
Energy: 1.7424786525550557
Energy: 1.7862940985881808
Energy: 1.8591267242785756
Energy: 1.788446335381437
Energy: 1.7930144079787755
Energy: 1.806517656695721
Energy: 1.8499572952089443
Energy: 1.9291958233589654
Energy: 1.8120385396649281
Energy: 1.8149902253096564
Energy: 1.7227664752814067
Energy: 1.7751609035392275
Energy: 1.8367287886711798
Energy: 1.8438089041761496
Energy: 1.8643841651976838
Energy: 1.9245253652938026
Energy: 1.8682292305700325
Energy: 1.9822940204951884
Energy: 1.9359992459851427
Energy: 1.722074006186467
Energy: 1.7815789587692767
Energy: 1.8089990131429474
Energy: 1.896169417586981
Energy: 1.8703327422218685
Energy: 1.9166160026767676
Energy: 1.9757502401402438
Energy: 1.9351261526835195
Energy: 2.0590984733973277
Energy: 1.9569484418548646
Energy: 1.9064341633913096
Energy: 1.8242569076068378
Energy: 1.985351064106114
Energy: 1.8525710941834883
Energy: 1.759435012344542
Energy: 1.9460882096765297
Energy: 1.9251929201557412
Energy: 1.8983579669865616
Energy: 1.67154450703205
Energy: 1.9843972266086434
Energy: 1.932211282412128
Energy: 1.8554714778486396
Energy: 1.947397532016696
Energy: 1.92433093418647
Energy: 1.8882803782594977
Energy: 1.676258709196426
Energy: 1.8982026754510102
Energy: 1.8578874225569515
Energy: 2.0432721284003628
Energy: 1.9339457706550733
Energy: 1.9226652741220882
Energy: 1.8867311562604872
Energy: 1.918854191063145

minimum gb energy = 1.5422868939395764 eV
minimum distance =  2.19299063619043 Angstroms
sigma value = 365


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

Energy: 1.7361300384923182
Energy: 1.6513715105141002
Energy: 1.5689361555971086
Energy: 1.6625694296380527
Energy: 1.6519380335488072
Energy: 1.568156850293821
Energy: 1.6526611592980915
Energy: 1.6587158170563556
Energy: 1.9045046778599308
Energy: 1.570023678487451
Energy: 1.5693559857127264
Energy: 1.570841384607734
Energy: 1.569323561584416
Energy: 1.9047431769314096
Energy: 1.6658376379135684
Energy: 2.0151910762433456
Energy: 1.5678599122385708
Energy: 1.5679284019014281
Energy: 1.568080162639734
Energy: 1.5673936071678316
Energy: 1.6520486527192964
Energy: 1.6673134338356166
Energy: 2.0158719112812724
Energy: 1.566675220468246
Energy: 1.5698931997752938
Energy: 1.5675902706095262
Energy: 1.5680948202324585
Energy: 1.658525171078559
Energy: 1.7329403821058809
Energy: 1.9053986369999245
Energy: 1.589847638138062
Energy: 1.9049076911829117
Energy: 1.5689751861892234
Energy: 1.592305844971191
Energy: 1.9039238585600442
Energy: 1.6684159622880543
Energy: 2.0146857525968556
Energy: 1.5682363105220163
Energy: 1.6637815478073752
Energy: 1.6525972942056968
Energy: 1.5679128603871826
Energy: 1.6541232585257302
Energy: 1.6671218900043256
Energy: 1.9038298499038986
Energy: 1.5699901217063406
Energy: 1.5691021427522938
Energy: 1.569622003308998
Energy: 1.569310823695577
Energy: 1.9042754131776374
Energy: 1.6660531904815183
Energy: 2.014812617418154
Energy: 1.569321501206039
Energy: 1.5685869941713246
Energy: 1.5692325810477705
Energy: 1.5686732845707811
Energy: 1.9034190744535942
Energy: 1.6690085475546748
Energy: 2.0149057124757515
Energy: 1.5690938264268448
Energy: 1.652341452931669
Energy: 1.5704193745360833
Energy: 1.568469982621376
Energy: 1.6548776355575967
Energy: 1.732727936844813
Energy: 1.9035052225813085
Energy: 1.6558268226194073
Energy: 1.9052716282492155
Energy: 1.9044041555076698
Energy: 1.5900837520931663
Energy: 1.9058278197815914
Energy: 1.6679328083257752
Energy: 2.0145931182945995
Energy: 1.5685605653036017
Energy: 1.6523366488154212
Energy: 1.570136031755257
Energy: 1.5684465184256133
Energy: 1.6560621703175367
Energy: 1.6657124843886764
Energy: 2.0149087284953024
Energy: 1.5687597500400252
Energy: 1.5679989351081416
Energy: 1.5688140008995235
Energy: 1.5687176209799327
Energy: 2.03571556370531
Energy: 1.6681328575120549
Energy: 1.9049890292984422
Energy: 1.5722670073167029
Energy: 1.5695715746108398
Energy: 1.5701859877537119
Energy: 1.570157652283992
Energy: 1.905506766302521
Energy: 1.6691749954171773
Energy: 2.106995012841226
Energy: 1.568492608506697
Energy: 1.65155895067638
Energy: 1.6520656357088406
Energy: 1.5682855277245815
Energy: 1.6528256154373944
Energy: 1.7328919736403867
Energy: 1.9058669952515737
Energy: 1.5893807428773212
Energy: 1.5698569667748776
Energy: 1.5684202965787388
Energy: 1.5689794293968529
Energy: 1.904814534515043
Energy: 1.6665911300027154
Energy: 2.0154247656982824
Energy: 1.567234415671648
Energy: 1.5686874532571957
Energy: 1.5677939959163654
Energy: 1.567852111334419
Energy: 1.6522572149837709
Energy: 1.6663070017549215
Energy: 2.0126990063755876
Energy: 1.5670578986456163
Energy: 1.5677571948556002
Energy: 1.567667549510479
Energy: 1.567753832706307
Energy: 1.6520117244444246
Energy: 1.7328053279146316
Energy: 1.9055391176667438
Energy: 1.5694187260558667
Energy: 1.5717167823209572
Energy: 1.5687519696434538
Energy: 1.5704672900993433
Energy: 1.9048026354321046
Energy: 1.667923257882649
Energy: 2.099504767131159
Energy: 1.569317625755304
Energy: 1.662753340285023
Energy: 1.6518870735432516
Energy: 1.5694005454670354
Energy: 1.6532595938828223
Energy: 1.668811226665347
Energy: 1.9039274769601733
Energy: 1.5694359953665908
Energy: 1.569355414020372
Energy: 1.569938309505727
Energy: 1.5699706799567823
Energy: 1.9050537350836163

minimum gb energy = 1.566675220468246 eV
minimum distance =  2.31063472898587 Angstroms
sigma value = 23