Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Mo
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=3.150138288736343
cohesive_energy=6.810539118324262
mass=95.95
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=[3.951400167135179e-21, 3.1640905691875795e-20, 1.079846223019758e-19, 2.31107570747964e-19, 3.6951640580595598e-19, 4.957022353231619e-19, 6.00795409453758e-19, 6.86569537731582e-19, 7.572912165329759e-19, 8.166053977002899e-19, 8.669954550162239e-19, 9.100138976391239e-19, 9.466476663755339e-19, 9.77603321121048e-19, 1.003486484643318e-18, 1.024870736177316e-18, 1.042318439721576e-18, 1.056364722271854e-18, 1.067509462937958e-18, 1.0762108842372118e-18, 1.082824669382364e-18, 1.08746136856116e-18, 1.090189875368862e-18, 1.0910822877539998e-18, 1.0901193795969658e-18, 1.086998339513934e-18, 1.08133304293611e-18, 1.072676482582608e-18, 1.06066496435751e-18, 1.044862696216368e-18, 1.0247121206905498e-18, 9.99551538830214e-19, 9.68573453611824e-19, 9.307813111690319e-19, 8.84931822433854e-19, 8.29448445598434e-19, 7.623428794599779e-19, 6.810772762302299e-19, 5.82426454344948e-19, 4.62274422031386e-19, 3.1532278116090597e-19, 1.345946933630916e-19, -8.949934916953739e-20, -3.7113139985302795e-19, -7.327426661468279e-19, -1.2104556622234379e-18, -1.8601110503076597e-18, -2.7643154554718997e-18, -4.0448551301964e-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: 0.0 eV

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

Energy: 0.02118366225922895
Energy: 2.5631584022687
Energy: 2.9632594327990596
Energy: 0.021734350996384547
Energy: 0.02178981451531475
Energy: 2.5619646747460485
Energy: 0.021850576740595005
Energy: 0.2546340267109387
Energy: 0.3532667368798961
Energy: 0.7296678544187192
Energy: 0.2546000585215734
Energy: 0.7302117149220831
Energy: 0.3528103381005132
Energy: 0.2543507734275164
Energy: 0.25429257511746295
Energy: 0.35289651296204483
Energy: 0.3528251548746638
Energy: 0.2544947411398756
Energy: 0.7300098914075983
Energy: 0.3528848335931737
Energy: 0.2549806937754841
Energy: 0.25421436235030054
Energy: 0.3530112009705848
Energy: 0.3530415193383738
Energy: 0.25434444182729204
Energy: 0.7300716499406268
Energy: 0.3529260598103182
Energy: 0.25448363622536246
Energy: 0.25465791484408734
Energy: 0.3557180137118894
Energy: 0.35307125649563537
Energy: 0.2551926329594262
Energy: 0.729902498000487
Energy: 0.3528498461597043
Energy: 0.25476006185075856
Energy: 0.022344829951888093
Energy: 0.35316850644142367
Energy: 0.730003913852233
Energy: 0.02189018143144291
Energy: 0.02197391679602469
Energy: 0.35275787029224503
Energy: 0.254663132072428

minimum gb energy = 0.02118366225922895 eV
minimum distance =  2.69167737189832 Angstroms
sigma value = 5


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

Energy: 3.761471656287801
Energy: 2.3432786882166625
Energy: 2.4726866592127794
Energy: 2.06869605918109
Energy: 2.2012722836944216
Energy: 2.4242541764969587
Energy: 2.157286392402742
Energy: 2.3078119867561044
Energy: 2.266888162337222
Energy: 2.310250427656831
Energy: 2.1791398496804177
Energy: 2.25051642761365
Energy: 2.3007814356793923
Energy: 2.280261306181501
Energy: 2.1200305275940483
Energy: 2.197164771817756
Energy: 2.205508679393904
Energy: 2.1536225673146463
Energy: 2.1569408663834513
Energy: 2.197314225481072
Energy: 2.1544729922633055
Energy: 2.203738929092309
Energy: 2.2229598686459
Energy: 2.2056054003408736
Energy: 2.1935537688648226
Energy: 2.223987900636859
Energy: 2.1955019943291787
Energy: 2.1731544823733047
Energy: 2.1748018235078903
Energy: 2.1480716298858376
Energy: 2.1760431230471724
Energy: 2.1499560018743056
Energy: 2.1839935563943875
Energy: 2.1744236435479163
Energy: 2.155123359442718
Energy: 2.1554037024907404
Energy: 2.1726999427228435
Energy: 2.171946419160949
Energy: 2.17814320356887
Energy: 2.185291883235061
Energy: 2.147535052405179
Energy: 2.1715222746960827
Energy: 2.1751586431548326
Energy: 2.1634130328770675
Energy: 2.1606632530631242
Energy: 2.1954479820380333
Energy: 2.202022548234411
Energy: 2.1400963536902267
Energy: 2.1680512593787857
Energy: 2.1884471662761387
Energy: 2.15345454205693
Energy: 2.1561473275369702
Energy: 2.182515570795817
Energy: 2.15563909944903
Energy: 2.1421096465036324
Energy: 2.195920962137418
Energy: 2.3062384826531046
Energy: 2.246279883646711
Energy: 2.1296111397060495
Energy: 2.3524420612521353
Energy: 2.2447660376873184
Energy: 2.176462897447509
Energy: 2.2508128401535963
Energy: 2.3439051918067744
Energy: 2.1554665044490755
Energy: 2.212257129330975
Energy: 2.3770247677823595
Energy: 2.314402732399433
Energy: 2.066534028452503
Energy: 2.2461097116158064
Energy: 2.276571873152461
Energy: 2.234651058850139
Energy: 2.1417042070293335
Energy: 2.2962461137818506
Energy: 2.236804890861625
Energy: 2.197913554001099
Energy: 2.28494403542612
Energy: 2.290039110547949
Energy: 2.15436936520323
Energy: 2.150809584304869
Energy: 2.3358037129837634
Energy: 2.204534589583643
Energy: 2.1407038006142036
Energy: 2.187214717694825
Energy: 2.1681882470464773
Energy: 2.1597961722062053
Energy: 2.1757458147099498
Energy: 2.1794649564659014
Energy: 2.1830060586695246
Energy: 2.1533985805282994
Energy: 2.2263951211100124
Energy: 2.081906774684297
Energy: 2.077988547523012
Energy: 2.2531401454358364
Energy: 2.1167632712149413
Energy: 2.072591820150175
Energy: 2.092528871420166
Energy: 2.1412343898997577
Energy: 2.1527117304333827
Energy: 2.0953440817618505
Energy: 2.1151189264607875
Energy: 2.1351756963812387
Energy: 2.0767872386957147
Energy: 2.113221758152849
Energy: 2.162504555661043
Energy: 2.0589259087374105
Energy: 2.0928153259011397
Energy: 2.132287377648416
Energy: 2.1283332398133896
Energy: 2.0728296958361527
Energy: 2.1392705009281463
Energy: 2.1753115738454674
Energy: 2.0549576307599677
Energy: 2.0876279054955122
Energy: 2.211098897214045
Energy: 2.1151312940047307
Energy: 2.0709939552104655
Energy: 2.1904542226350965
Energy: 2.1196849949979444
Energy: 2.2396275158938885
Energy: 2.3337022907773166
Energy: 2.195414052685717
Energy: 2.149942976406483
Energy: 2.2540441710420898
Energy: 2.3741658518743343
Energy: 2.220363059951028
Energy: 2.2510596969585484
Energy: 2.35268527936663
Energy: 2.2293066631293588
Energy: 2.236148977936182
Energy: 2.2745498640940833
Energy: 2.329573812130831
Energy: 2.199048946486062
Energy: 2.1642772195497715
Energy: 2.2693234934921422
Energy: 2.400518883413856
Energy: 2.165532531842467
Energy: 2.269809852709718
Energy: 2.402044001067665
Energy: 2.164591736966381
Energy: 2.072371419949587
Energy: 2.08066216810922
Energy: 2.2739677801032023
Energy: 2.104753394749234
Energy: 2.1061999594716148
Energy: 2.443864739836346
Energy: 2.2056238818622913
Energy: 2.068190405850669
Energy: 2.0909673844979757
Energy: 2.2604735066746966
Energy: 2.09958843642083
Energy: 2.1615346820070287
Energy: 2.106319999171222
Energy: 2.221913380169138
Energy: 2.0386088502515474
Energy: 2.113075513721808
Energy: 2.128922607437918
Energy: 2.0261444586012725
Energy: 2.110070034429167
Energy: 2.1152608668690562
Energy: 2.0304270818255423
Energy: 2.0381839132524866
Energy: 2.129401753889286
Energy: 2.12915671306854
Energy: 2.080695938403636
Energy: 2.1213881955052982
Energy: 2.124597988153263
Energy: 2.0411943950269245
Energy: 2.0552032116682297
Energy: 2.1096715186026533
Energy: 2.1154534427403036
Energy: 2.045920318836585
Energy: 2.094567586877033
Energy: 2.1169106271256957
Energy: 2.051887691626631
Energy: 2.2070551833506586
Energy: 2.2888532086461844
Energy: 2.287492291368349
Energy: 2.2245784353003097
Energy: 2.17417092659513
Energy: 2.1482560342499033
Energy: 2.2325623273002018
Energy: 2.259982283050185
Energy: 2.1537624376070332
Energy: 2.195734569979698
Energy: 2.217152240291686
Energy: 2.2458543463283105
Energy: 2.1803321919659786
Energy: 2.2969122525109222
Energy: 2.2393036677744287
Energy: 2.1807486638903466
Energy: 2.173601463975783
Energy: 2.2874095127905805
Energy: 2.299448251983537
Energy: 2.150402010792745
Energy: 2.2377948370362244
Energy: 2.331062554982069
Energy: 2.380434544882084
Energy: 2.2643102755633375
Energy: 2.1609346756911116
Energy: 2.325533730644526
Energy: 2.2881203437012316
Energy: 2.1691206540727745
Energy: 2.193457161134188
Energy: 2.2593725857476215
Energy: 2.227260375687449
Energy: 2.184459799240728
Energy: 2.0842770387377874
Energy: 2.305681341830541
Energy: 2.331253775819172
Energy: 2.3676671042842994
Energy: 2.283457218413411
Energy: 2.2753071763169053
Energy: 2.277328363448956
Energy: 2.284251162843874
Energy: 2.2899873424993262
Energy: 2.298882425129502
Energy: 2.0697316401526713
Energy: 2.0681177451165915
Energy: 2.050401183199713
Energy: 2.1164004155401233
Energy: 2.09358512234278
Energy: 2.046283070551677
Energy: 2.1191376303067915
Energy: 2.1440271713774224
Energy: 2.0734606601657966
Energy: 2.064702355339012
Energy: 2.134525620337529
Energy: 2.1213883053514926
Energy: 2.0494469795151495
Energy: 2.0978002294622744
Energy: 2.1500450644050337
Energy: 2.108788024008945
Energy: 2.023724133454438
Energy: 2.1125194184437603
Energy: 2.11075421630125
Energy: 2.026556888769726
Energy: 2.1250226397703087
Energy: 2.075009838014408
Energy: 2.0826273954460475
Energy: 2.2207629347311877
Energy: 2.2093294480172987
Energy: 2.075489091670772
Energy: 2.124569633602872
Energy: 2.3354713376291985
Energy: 2.0748013957009905
Energy: 2.0850539245226414
Energy: 2.261535670570583
Energy: 2.2882649051839756
Energy: 2.074901865528832
Energy: 2.2008765093879408
Energy: 2.3012604044832545
Energy: 2.2597497973597864
Energy: 2.2786641798392275
Energy: 2.1851434106708827
Energy: 2.3396134800551516
Energy: 2.2730960706048684
Energy: 2.169461426571968
Energy: 2.343422766077061
Energy: 2.3254040346511125
Energy: 2.2434660463730425
Energy: 2.1098976124284192
Energy: 2.2823657953239698
Energy: 2.282863419203972
Energy: 2.137505840729306
Energy: 2.2579962994781884
Energy: 2.3256713660154498
Energy: 2.183037728207723
Energy: 2.149923438103058
Energy: 2.3604841120520588
Energy: 2.373274340579632
Energy: 1.9955900721962754
Energy: 2.227625034252827
Energy: 2.085592937361369
Energy: 2.0626167692242046
Energy: 2.114880306037207
Energy: 2.1616835088154662
Energy: 2.0742733961851565
Energy: 2.1152679799153127
Energy: 2.1620822525401513
Energy: 2.0483420844100206
Energy: 2.0759592344939843
Energy: 2.12879318988908
Energy: 2.13004329607252
Energy: 2.0805804878409844
Energy: 2.1222364249541954
Energy: 2.1169099076693514
Energy: 2.052796892365639
Energy: 2.113690228496177
Energy: 2.156019597417818
Energy: 2.0985056332988368
Energy: 2.0856942733528134
Energy: 2.161711779574026
Energy: 2.1128950322523936
Energy: 2.3054753577184877
Energy: 2.2428171611477574
Energy: 2.1375549934410287
Energy: 2.1419992186510206
Energy: 2.241643108299637
Energy: 2.216681557743269
Energy: 2.2552358228548406
Energy: 2.1415186405585898
Energy: 2.25698403895032
Energy: 2.1802387858336814
Energy: 2.135300730190022
Energy: 2.251758553818227
Energy: 2.1797355585727147
Energy: 2.127619976200004
Energy: 2.141578750738039
Energy: 2.195143515461077
Energy: 2.2187113570116725
Energy: 2.1486567907636505
Energy: 2.305507281414509
Energy: 2.353286658955998
Energy: 2.1733735789318365
Energy: 2.1993417487956513
Energy: 2.308192931554651
Energy: 2.3302203315044965
Energy: 2.1419244382189153
Energy: 2.2369190864745194
Energy: 2.327141677539323
Energy: 2.145315226884752
Energy: 2.220724890565175
Energy: 2.3173109019249365
Energy: 2.3788589187014666
Energy: 2.126166939076535
Energy: 2.20082035961852
Energy: 2.3571169482343963
Energy: 2.28982683876484

minimum gb energy = 1.9955900721962754 eV
minimum distance =  2.46282046087347 Angstroms
sigma value = 401


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

Energy: 3.276652937366674
Energy: 2.177719081957665
Energy: 3.00533254571616
Energy: 2.1380042050091372
Energy: 2.1451745278212213
Energy: 2.175679463162946
Energy: 2.2594596956638737
Energy: 2.244222794879595
Energy: 2.096444521907845
Energy: 2.296321217586362
Energy: 2.12787698589964
Energy: 2.048122503319417
Energy: 2.1824298792403827
Energy: 2.204465028209355
Energy: 2.2817508387426244
Energy: 2.096575100708976
Energy: 2.2730955377712156
Energy: 2.1049971399107505
Energy: 2.10809185879885
Energy: 2.345787046263822
Energy: 2.358618903923033
Energy: 2.2745766678237747
Energy: 2.109194940998123
Energy: 2.246572766892668
Energy: 2.159256884811877
Energy: 2.3939250226274598
Energy: 2.242745303918267
Energy: 2.338805702286388
Energy: 2.3163180557842162
Energy: 2.1047522872927824
Energy: 2.3903204603505013
Energy: 2.146327539408123
Energy: 2.220287074381176
Energy: 2.389142782612137
Energy: 2.3170428689156903
Energy: 2.3590602520655124
Energy: 2.393937014893591
Energy: 2.275006819229549
Energy: 2.3349085615557272
Energy: 2.3807656525290284
Energy: 2.2546021847179394
Energy: 2.3443942004592455
Energy: 2.403473414163527
Energy: 2.341696794930999
Energy: 2.272191895219524
Energy: 2.3490535088208717
Energy: 2.392801790086927
Energy: 2.2322959360563783
Energy: 2.3140406405044036
Energy: 2.4071208017777135
Energy: 2.2908703706259206
Energy: 2.2529992812784028
Energy: 2.3764656266186925
Energy: 2.395010693986268
Energy: 2.319005868291153
Energy: 2.350832157530596
Energy: 2.474275017529312
Energy: 2.2086820246444563
Energy: 2.2627539938235697
Energy: 2.5210809346571312
Energy: 2.2139366962773783
Energy: 2.208529629865839
Energy: 2.5584722786447416
Energy: 2.4975060725121594
Energy: 2.217459182135629
Energy: 2.3261093769031684
Energy: 2.468976848604122
Energy: 2.236313776662514
Energy: 2.2593988985126643
Energy: 2.431097393143338
Energy: 2.5292641072321165
Energy: 2.2119264214573806
Energy: 2.280819649953056
Energy: 2.4186847477918105
Energy: 2.2483891608626587
Energy: 2.2579348508299857
Energy: 2.3633064118693525
Energy: 2.4169070149949103
Energy: 2.4060788353745446
Energy: 2.2874557555707487
Energy: 2.3623391104841676
Energy: 2.4728337031837118
Energy: 2.343443473556514
Energy: 2.365553523550388
Energy: 2.4610863845094495
Energy: 2.344763834543775
Energy: 2.340834669951811
Energy: 2.4187624418407947
Energy: 2.430351226326857
Energy: 2.3438311845818025
Energy: 2.406542682150549
Energy: 2.2393513967377325
Energy: 2.368861389634792
Energy: 2.24869128273578
Energy: 2.2683645666491157
Energy: 2.180391674047373
Energy: 2.2809514259078303
Energy: 2.27649123319627
Energy: 2.1940375995492643
Energy: 2.17652261459609
Energy: 2.254448081489123
Energy: 2.254573111846432
Energy: 2.1804342110589974
Energy: 2.2836177252155236
Energy: 2.2537337977084864
Energy: 2.1527494005413073
Energy: 2.186246129026666
Energy: 2.266123975400788
Energy: 2.19224219165147
Energy: 2.1819714106321944
Energy: 2.2690646095547335
Energy: 2.324725558548283
Energy: 2.152065569992711
Energy: 2.1697536811710014
Energy: 2.2589173944367635
Energy: 2.1937982456881
Energy: 2.168380482410463
Energy: 2.2487443754811722
Energy: 2.193702123196111
Energy: 2.261295788613759
Energy: 2.125056364398952
Energy: 2.538045713959193
Energy: 2.2653089676762947
Energy: 2.272581346750708
Energy: 2.4698792502612608
Energy: 2.373584222573812
Energy: 2.2092550019279953
Energy: 2.2799744395947448
Energy: 2.4238111870443695
Energy: 2.243210433107832
Energy: 2.2404309432290477
Energy: 2.7442556047475963
Energy: 2.240899026636141
Energy: 2.1594545840854944
Energy: 2.2188874127162954
Energy: 2.7327448508820256
Energy: 2.223177373968911
Energy: 2.2224714881253784
Energy: 2.6001691411383163
Energy: 2.2529479556178655
Energy: 2.0602623849385386
Energy: 2.129659160594102
Energy: 2.280603558908688
Energy: 2.0432544900181844
Energy: 2.0421615209475767
Energy: 2.287704745617188
Energy: 2.1398380389764315
Energy: 2.031264158278842
Energy: 2.130280835903777
Energy: 2.3517291118275034
Energy: 2.043187035828656
Energy: 2.0417749475760254
Energy: 2.194675685079747
Energy: 2.1398776121658063
Energy: 2.220104570082177
Energy: 2.2105081156813027
Energy: 2.4253897203517836
Energy: 2.2059340461584873
Energy: 2.2116597725132223
Energy: 2.3559015556435754
Energy: 2.240918633139317
Energy: 2.2227417213036063
Energy: 2.2603779125026944
Energy: 2.3953913351390783
Energy: 2.2456479202800863
Energy: 2.26845924867371
Energy: 2.419566928262085
Energy: 2.287332645366042
Energy: 2.298577768108053
Energy: 2.2587587124257773
Energy: 2.3996375563010193
Energy: 2.317202044683274
Energy: 2.2621592513628013
Energy: 2.432168503165604
Energy: 2.3163352398488835
Energy: 2.391075525012048
Energy: 2.371484143135711
Energy: 2.282870309460844
Energy: 2.378471467518931
Energy: 2.3764664066972983
Energy: 2.2705703153302745
Energy: 2.3799542033717844
Energy: 2.4214420934096585
Energy: 2.3089888698003325
Energy: 2.2573330264563793
Energy: 2.3627590408447956
Energy: 2.402148894045434
Energy: 2.260754417018793
Energy: 2.3229891728975764
Energy: 2.3957198360118626
Energy: 2.302641071791667
Energy: 2.2928803755915332
Energy: 2.3555852585998265
Energy: 2.401626111854228
Energy: 2.2648663422288777
Energy: 2.32957488531374
Energy: 2.296412640159844
Energy: 2.2244155907562364
Energy: 2.242363128759316
Energy: 2.2220309136566674
Energy: 2.230253022455957
Energy: 2.2684652928867863
Energy: 2.2937862964084164
Energy: 2.47432210808783
Energy: 2.2269630902367687
Energy: 2.2725396144657943
Energy: 2.4658016658251705
Energy: 2.216059200579436
Energy: 2.2609180525680705
Energy: 2.4830472375947545
Energy: 2.307911574384138
Energy: 2.2483453021242417
Energy: 2.2416597933665834
Energy: 2.505399460088987
Energy: 2.251129314637723
Energy: 2.307297403270473
Energy: 2.2273328432252564
Energy: 2.490918955550328
Energy: 2.3214635601252027
Energy: 2.2783009252860134
Energy: 2.3511600843886624
Energy: 2.4721777742038573
Energy: 2.311959032220944
Energy: 2.3336361207137073
Energy: 2.514930699226271
Energy: 2.3387304417001347
Energy: 2.3434421055214054
Energy: 2.41385908330823
Energy: 2.4422879158738042
Energy: 2.341877760464809
Energy: 2.3614973527501255
Energy: 2.494492556483775
Energy: 2.42919118591595
Energy: 2.3094074104015454
Energy: 2.346742424465805
Energy: 2.4436722244443914
Energy: 2.309852602196675
Energy: 2.4414941542489577
Energy: 2.235411453009919
Energy: 2.1861227200328686
Energy: 2.2429083715251306
Energy: 2.267120987733628
Energy: 2.172486319756095
Energy: 2.23697663341878
Energy: 2.2041289009544176
Energy: 2.166608262141229
Energy: 2.1783490296143233
Energy: 2.248150027052308
Energy: 2.201339643142473
Energy: 2.197441158981579
Energy: 2.230002994535923
Energy: 2.217609871395907
Energy: 2.153126151303767
Energy: 2.182685564963664
Energy: 2.2792771548737965
Energy: 2.188570952148003
Energy: 2.1403032756496856
Energy: 2.236552174335771
Energy: 2.189654564545731
Energy: 2.273795095095147
Energy: 2.3353671733084593
Energy: 2.3261830675803425
Energy: 2.1025726831277867
Energy: 2.1961885993831127
Energy: 2.319662821579992
Energy: 2.267172423652678
Energy: 2.2981720231966505
Energy: 2.120543207308605
Energy: 2.2740743264002106
Energy: 2.1269159779372617
Energy: 2.178559960753076
Energy: 2.745298546700665
Energy: 2.3872944892848267
Energy: 2.283193643630205
Energy: 2.1023652152889474
Energy: 2.5707308708232506
Energy: 2.1065633718260663
Energy: 2.099800681662989
Energy: 2.362859007233431
Energy: 2.2776737588400318
Energy: 2.160401356872223
Energy: 2.0545560581020585
Energy: 2.3658900650109342
Energy: 2.0448521728475164
Energy: 2.0435833585030316
Energy: 2.4852589180131455
Energy: 2.1381790665701734

minimum gb energy = 2.031264158278842 eV
minimum distance =  2.45000559410496 Angstroms
sigma value = 311


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

Energy: 2.290515305493921
Energy: 2.2907815873561383
Energy: 2.471564159889565
Energy: 2.8019288158078735
Energy: 2.3798733844221225
Energy: 2.380201329857604
Energy: 2.5437812332632737
Energy: 2.082328859919897
Energy: 2.005389314450584
Energy: 1.9910348642553712
Energy: 1.9912062073568395
Energy: 1.9914087756062349
Energy: 2.004951499447623
Energy: 2.001970400590902
Energy: 2.0762544313368876
Energy: 2.0014880994772732
Energy: 2.004466057585617
Energy: 2.004122879997398
Energy: 2.004285354941225
Energy: 1.99144167606799
Energy: 2.1352810920215277
Energy: 2.143518000596411
Energy: 2.142025774141449
Energy: 2.161456101233799
Energy: 2.1923092305468854
Energy: 2.2049095059350208
Energy: 2.20476528848236
Energy: 2.176117708178715
Energy: 2.028525124711011
Energy: 2.0327522828374756
Energy: 2.03304325326439
Energy: 2.0325091287129986
Energy: 2.221705633427619
Energy: 2.2235632986357956
Energy: 2.033370121416108
Energy: 2.05409929290835
Energy: 2.2352490878813964
Energy: 2.2228666769182897
Energy: 2.2241753397259085
Energy: 2.2232258796459297
Energy: 2.2190911234625594
Energy: 2.2446960448420428
Energy: 2.213875077471868
Energy: 2.2550330613883167
Energy: 2.227797162236317
Energy: 2.227363658235158
Energy: 2.2538735768970204
Energy: 2.2239741771615833
Energy: 2.189877949394773
Energy: 2.1553538927197895
Energy: 2.1688869670664994
Energy: 2.1786683486823573
Energy: 2.177685505008093
Energy: 2.1546788649926527
Energy: 2.154974290832273
Energy: 2.143668277917935
Energy: 2.2225907686603943
Energy: 2.2132830556531475
Energy: 2.2178763411498355
Energy: 2.218270762153566
Energy: 2.218443181824841
Energy: 2.2183091271060498
Energy: 2.2844043389579713
Energy: 2.2244847326862223
Energy: 2.2905591431212513
Energy: 2.289260505766268
Energy: 2.2897896320335507
Energy: 2.216882693364659
Energy: 2.3110555423750445
Energy: 2.249014147642258
Energy: 2.1383354752331907
Energy: 2.082320938620537
Energy: 2.187291156918216
Energy: 2.004990358483111
Energy: 1.9910990481013802
Energy: 2.1541463595235983
Energy: 2.1454619108977115
Energy: 2.2522531523718623
Energy: 2.247549460558552
Energy: 2.283839510426041
Energy: 2.282349244392609
Energy: 2.3520289166084662
Energy: 2.312719668125988
Energy: 2.2665179714527133
Energy: 2.321691662891156
Energy: 2.2994636594652644
Energy: 2.3666362869130046
Energy: 2.3654688559003914
Energy: 2.390461814320134
Energy: 2.3666865926094927
Energy: 2.3769829205722837
Energy: 2.083284985393154
Energy: 2.004643198120791
Energy: 1.9910733313125504
Energy: 1.990996678803312
Energy: 1.991144481950161
Energy: 1.991305451827767
Energy: 2.005396919368245
Energy: 2.2087690031807092
Energy: 2.0157853863016473
Energy: 2.0157439664075625
Energy: 2.016340365331315
Energy: 2.0170633984391677
Energy: 2.0528992902690852
Energy: 2.232188658651661
Energy: 2.18315046380873
Energy: 2.166335381063948
Energy: 2.1669928881380023
Energy: 2.1818654878423205
Energy: 2.206818421626654
Energy: 2.2581343829497693
Energy: 2.213151811942599
Energy: 2.1064451921007543
Energy: 2.0335598010287876
Energy: 2.034862144840104
Energy: 2.0325774622581676
Energy: 2.0262711302275416
Energy: 2.026666037514999
Energy: 2.033349321654201
Energy: 2.262548893184267
Energy: 2.2167773475872146
Energy: 2.218011150656926
Energy: 2.2279521863187255
Energy: 2.2195551599136905
Energy: 2.21803170364621
Energy: 2.2183545750964346
Energy: 2.145568183267461
Energy: 2.1992003629397123
Energy: 2.2300081733638035
Energy: 2.240655587107915
Energy: 2.218740875190634
Energy: 2.2200042884042426
Energy: 2.189900064415787
Energy: 2.083326812876437
Energy: 2.082303806769897
Energy: 2.1877996150987724
Energy: 1.9911119418265006
Energy: 1.9916868067752673
Energy: 2.154300411079782
Energy: 2.1447776450099187
Energy: 2.2239242830973702
Energy: 2.2232103407122414
Energy: 2.2712824188744367
Energy: 2.27097977478325
Energy: 2.2187575551462633
Energy: 2.3671824989814776
Energy: 2.2770402200353392
Energy: 2.22259871879032
Energy: 2.2173741714388493
Energy: 2.2181098913714807
Energy: 2.2166022899757043
Energy: 2.216634955902398
Energy: 2.2159639507868447
Energy: 2.2927927205202594
Energy: 2.22051549371457
Energy: 2.1682782033896193
Energy: 2.193896003152503
Energy: 2.177796237154342
Energy: 2.154242271425847
Energy: 2.155072509300802
Energy: 2.1464568069041188
Energy: 2.330872643266693
Energy: 2.2412888166816463
Energy: 2.2817721974542233
Energy: 2.378931124806972
Energy: 2.3576916433374935
Energy: 2.3719304226126594
Energy: 2.338081120508657
Energy: 2.3157080988935816
Energy: 2.2947271284003725
Energy: 2.365537197961097
Energy: 2.378025743044283
Energy: 2.378115623608973
Energy: 2.3655950250278326
Energy: 2.336231226997579
Energy: 2.0547887280446466
Energy: 2.0046976277984827
Energy: 2.004774808055838
Energy: 1.991833189291589
Energy: 1.9915350130338747
Energy: 1.9912352265687123
Energy: 2.005217285380247
Energy: 2.1936571191204757
Energy: 2.190767619612217
Energy: 2.2112964350162363
Energy: 2.2107909031339745
Energy: 2.2290062095820704
Energy: 2.2275159005183456
Energy: 2.247215372170447
Energy: 2.1493784562390634
Energy: 2.140881482620807
Energy: 2.1404634006691103
Energy: 2.140668069474741
Energy: 2.1889081575707707
Energy: 2.1889899076544115
Energy: 2.2336654112781624
Energy: 2.1068361704422944
Energy: 2.033742624076952
Energy: 2.033110377124996
Energy: 2.027182187779942
Energy: 2.0273423898421363
Energy: 2.032517439244902
Energy: 2.0339508298928597
Energy: 2.270244802823724
Energy: 2.3101990579960807
Energy: 2.3062089110784756
Energy: 2.298818472786736
Energy: 2.250465908879123
Energy: 2.2503328766628345
Energy: 2.2504840534000756
Energy: 2.1572162274456073
Energy: 2.200035913544708
Energy: 2.24569117353481
Energy: 2.2177540460381646
Energy: 2.1632423628957542
Energy: 2.1640478895894786
Energy: 2.1808773979528673
Energy: 2.0690434174255308
Energy: 2.0050724551521633
Energy: 2.0055208651259604
Energy: 1.991475232754474
Energy: 1.9922355065495922
Energy: 2.005584095324941
Energy: 2.0552615079606995
Energy: 2.2458816047642887
Energy: 2.2585142155906612
Energy: 2.2745401526155775
Energy: 2.2769053057637514
Energy: 2.2615439584175205
Energy: 2.367021290415532
Energy: 2.3067080291657986
Energy: 2.2472328455043664
Energy: 2.1975951315154734
Energy: 2.004894777148515
Energy: 2.0046623355885433
Energy: 2.217472581045402
Energy: 2.2164205485128927
Energy: 2.2509736523668953
Energy: 2.1692421760933245
Energy: 2.1696249402775787
Energy: 2.266210691178107
Energy: 2.2138744710861933
Energy: 2.155581043750359
Energy: 2.154715312632519
Energy: 2.1553695743758468
Energy: 2.350238906923746
Energy: 2.349636830707304
Energy: 2.3581967831422364
Energy: 2.3895576090914243
Energy: 2.3889111878790232
Energy: 2.378868996055617
Energy: 2.3445778200138343

minimum gb energy = 1.990996678803312 eV
minimum distance =  2.46584688810485 Angstroms
sigma value = 39


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

Energy: 2.56520737089642
Energy: 2.485185457509058
Energy: 2.581593968175467
Energy: 2.5871388790413383
Energy: 2.5558088246750983
Energy: 2.5783818101565195
Energy: 2.5838622976785524
Energy: 2.2023405929045947
Energy: 2.212410994164153
Energy: 2.203961516720611
Energy: 2.195383568908926
Energy: 2.219021599547559
Energy: 2.1631630966813686
Energy: 2.210409349446046
Energy: 2.2019484090129753
Energy: 2.1099669563236385
Energy: 2.178191896979658
Energy: 2.2069889871276143
Energy: 2.2437730939772944
Energy: 2.1248899848860026
Energy: 2.226816054101059
Energy: 2.2990621228398354
Energy: 2.1249853027670436
Energy: 2.2610931716689393
Energy: 2.380040907444653
Energy: 2.194220753998402
Energy: 2.0471952479357745
Energy: 2.2772977453898884
Energy: 2.436366996749384
Energy: 2.1064144031369945
Energy: 2.1305349256365154
Energy: 2.130482880002033
Energy: 2.2132044640589665
Energy: 2.124242036321642
Energy: 2.130320596095683
Energy: 2.1817364018681684
Energy: 2.0984379201992884
Energy: 2.149064298724955
Energy: 2.207972734968207
Energy: 2.1794714554628016
Energy: 2.144547725748523
Energy: 2.1207472836653833
Energy: 2.145159008167289
Energy: 2.1630527741939845
Energy: 2.12504383813443
Energy: 2.195979145713496
Energy: 2.1783437028119916
Energy: 2.1280627713190796
Energy: 2.170721656818721
Energy: 2.1863944374132593
Energy: 2.200824151035087
Energy: 2.205282299276411
Energy: 2.2321465740335658
Energy: 2.2028261943942846
Energy: 2.196182385400389
Energy: 2.2483459707829336
Energy: 2.175193861283839
Energy: 2.3436961607425113
Energy: 2.5121585766801586
Energy: 2.1748310166688496
Energy: 2.3456366756402898
Energy: 2.5212585523655124
Energy: 2.2746305273470933
Energy: 2.17502229704785
Energy: 2.3441233085505866
Energy: 2.483890173854591
Energy: 2.210932514885141
Energy: 2.3438709347423803
Energy: 2.5127667765231867
Energy: 2.2360970286058235
Energy: 2.186429770534654
Energy: 2.195863055306833
Energy: 2.193184797212677
Energy: 2.2277707762795416
Energy: 2.1766866081853182
Energy: 2.2437101036630707
Energy: 2.2171347598849516
Energy: 2.2600516979219294
Energy: 2.191566102693989
Energy: 2.2444832579326945
Energy: 2.2264313015812114
Energy: 2.2296923201509338
Energy: 2.2400798028251376
Energy: 2.3152425244600354
Energy: 2.4002765173653393
Energy: 2.2146976218471095
Energy: 2.3764096574347557
Energy: 2.241481847209199
Energy: 2.2144542548472286
Energy: 2.117849086828245
Energy: 2.4000568169571213
Energy: 2.202083690211733
Energy: 2.245487106785326
Energy: 2.245516035222875
Energy: 2.2064011595988386
Energy: 2.245930036876366
Energy: 2.1921855285880447
Energy: 2.2938505908515694
Energy: 2.1510251190103302
Energy: 2.3656199297842555
Energy: 2.5495295473596675
Energy: 2.195623843793182
Energy: 2.1891779209219293
Energy: 2.486920856790808
Energy: 2.230341978779622
Energy: 2.5654887026068773
Energy: 2.3889979158374848
Energy: 2.1969414008568906
Energy: 2.5527059207909333
Energy: 2.5530336447121718
Energy: 2.509458457437368
Energy: 2.1494010236103738
Energy: 2.2020934020260294
Energy: 2.2122504971715413
Energy: 2.203910766891441
Energy: 2.1953532056535665
Energy: 2.2101838867636414
Energy: 2.163207964082086
Energy: 2.210607026634504
Energy: 2.202309398327242
Energy: 2.108644492106331
Energy: 2.1526315313062163
Energy: 2.206468201379049
Energy: 2.2405752508042522
Energy: 2.1243791328736648
Energy: 2.22697089342788
Energy: 2.2989600533495915
Energy: 2.1251285945151275
Energy: 2.350221725176676
Energy: 2.3804518460256063
Energy: 2.1941758905252198
Energy: 2.047461780264002
Energy: 2.2745084358080163
Energy: 2.3012306723816387
Energy: 2.1062899723207016
Energy: 2.1307678488172184
Energy: 2.1306403081977106
Energy: 2.213301924881062
Energy: 2.1243781175018666
Energy: 2.129926966580843
Energy: 2.181675008382044
Energy: 2.096555824770033
Energy: 2.1490203297172767
Energy: 2.121969771457397
Energy: 2.1796883702850005
Energy: 2.1440556650732456
Energy: 2.121605996670177
Energy: 2.144970042797658
Energy: 2.162992045572588
Energy: 2.125248593746778
Energy: 2.1959211984412965
Energy: 2.177739228874513
Energy: 2.1293354480459854
Energy: 2.170902773867515
Energy: 2.185951445842339
Energy: 2.2007355627130836
Energy: 2.2054194782882703
Energy: 2.2319679707656186
Energy: 2.2038387470512135
Energy: 2.1969530342543893
Energy: 2.248616365425202
Energy: 2.1752819127253002
Energy: 2.3439236064774063
Energy: 2.512055371893324
Energy: 2.174446176061973
Energy: 2.3464088380815764
Energy: 2.521160778331818
Energy: 2.2743759249499145
Energy: 2.1752076755306584
Energy: 2.344075137321697
Energy: 2.484088093961759
Energy: 2.2113029749497457
Energy: 2.3441579128853167
Energy: 2.512615287265116
Energy: 2.2361475296548585
Energy: 2.1867958067182167
Energy: 2.1958214125075655
Energy: 2.1936403443038484
Energy: 2.2279892994085984
Energy: 2.1956873010551563
Energy: 2.2432073386974722
Energy: 2.215677605304256
Energy: 2.2610351366784185
Energy: 2.1913998394581338
Energy: 2.24431652952482
Energy: 2.229835485858689
Energy: 2.2302564897125947
Energy: 2.196123986134586
Energy: 2.27449499037528
Energy: 2.2043406152044724
Energy: 2.2147859743705505
Energy: 2.3394970778806345
Energy: 2.284762567161704
Energy: 2.214760584819205
Energy: 2.1163319429249716
Energy: 2.240690714561814
Energy: 2.2021870305082585
Energy: 2.245416850708383
Energy: 2.247807335904956
Energy: 2.2063980408069575
Energy: 2.2456450374498544
Energy: 2.1923431491861742
Energy: 2.2939264910322827
Energy: 2.1495893508227457
Energy: 2.3655967401114193
Energy: 2.54916815926111
Energy: 2.195820061838713
Energy: 2.1887645087206318
Energy: 2.486636626867045
Energy: 2.2303160709770595

minimum gb energy = 2.0471952479357745 eV
minimum distance =  2.46945799568928 Angstroms
sigma value = 21


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

Energy: 2.871244561537692
Energy: 2.104204327824246
Energy: 2.007229624995156
Energy: 2.1752434107675267
Energy: 2.3214632266473116
Energy: 2.2623098551678997
Energy: 2.326008978283391
Energy: 2.1586724753089266
Energy: 2.1381543489877357
Energy: 2.1524935774523843
Energy: 2.1674110926539063
Energy: 2.154580239752313
Energy: 2.156412843919249
Energy: 2.167184806593116
Energy: 2.1855305498939446
Energy: 2.0950869335983717
Energy: 2.055040762564298
Energy: 2.028424753626337
Energy: 2.1927182277872532
Energy: 2.1322489424317377
Energy: 2.047098308859286
Energy: 2.137174384978428
Energy: 2.001105153964388
Energy: 2.0056549398046046
Energy: 2.143486325794494
Energy: 2.182881280112734
Energy: 2.0730502792431715
Energy: 2.1428747980291973
Energy: 2.066771479538235
Energy: 1.949783631400508
Energy: 2.055789918269737
Energy: 2.0438971480090506
Energy: 2.0606662083121186
Energy: 1.9525469029311735
Energy: 2.0537516105612705
Energy: 2.0356662851442735
Energy: 2.036345041586551
Energy: 2.041618726004739
Energy: 1.9633640472625344
Energy: 2.047020913574771
Energy: 2.0003464126339834
Energy: 2.047748358565184
Energy: 2.0020580710993565
Energy: 2.0191198343698193
Energy: 1.9271181550636964
Energy: 2.024820669983478
Energy: 2.000751938992651
Energy: 1.971734668217239
Energy: 1.9600417218005646
Energy: 1.9648982142053566
Energy: 2.023528321520301
Energy: 2.084716372418696
Energy: 1.9636798691387507
Energy: 2.0280778563998694
Energy: 2.0507397465277233
Energy: 2.0203028055107657
Energy: 1.9143291409871195
Energy: 1.92787717849986
Energy: 2.0450420121462716
Energy: 1.9841477244732522
Energy: 1.9290210953826172
Energy: 2.033034603805172
Energy: 1.9865930010036827
Energy: 1.8393582007523668
Energy: 1.8424128493238126
Energy: 1.9832373873502127
Energy: 1.9155264704643296
Energy: 1.8410455526850504
Energy: 1.987169616551517
Energy: 1.9618882001428126
Energy: 1.9791461329319266
Energy: 1.9862693198654031
Energy: 2.0016976173756653
Energy: 2.0034043306714056
Energy: 1.9876981674748713
Energy: 1.9959912693938597
Energy: 1.9957873438797253
Energy: 2.0041172622179952
Energy: 1.9934816917659333
Energy: 2.002992059366973
Energy: 1.9916793846983478
Energy: 1.9964293328749458
Energy: 1.9885698168444579
Energy: 1.9941254488324576
Energy: 1.957997227772281
Energy: 1.9858610233589062
Energy: 1.8394368046027985
Energy: 1.9297340648875916
Energy: 1.9847534937470876
Energy: 1.8397814190255048
Energy: 1.9093360201501852
Energy: 2.009532384547336
Energy: 1.944161860054856
Energy: 1.8399411113181696
Energy: 1.9234007352265252
Energy: 2.0325406723498785
Energy: 1.8396776607214642
Energy: 1.8392541478200142
Energy: 2.0484634290169725
Energy: 1.992527328193545
Energy: 1.9567460185280823
Energy: 1.982523007759707
Energy: 2.0323623490517275
Energy: 1.9700973083467788
Energy: 1.9175732475125036
Energy: 2.002326904483698
Energy: 2.0071642619241215
Energy: 1.9660994438520532
Energy: 2.0246014546133373
Energy: 2.0730495012318153
Energy: 2.019452573825381
Energy: 2.043611250541385
Energy: 2.017832122985217
Energy: 2.0065297910900832
Energy: 2.001460332080427
Energy: 2.024956833291949
Energy: 2.022642345953908
Energy: 2.0214125777970726
Energy: 1.9548690596363465
Energy: 2.0487818455450055
Energy: 2.062416758460993
Energy: 2.0694687111325374
Energy: 2.0448054303593
Energy: 2.077379467473429
Energy: 2.078296448844073
Energy: 2.0645755273879716
Energy: 2.117041039558463
Energy: 2.0778638415588304
Energy: 2.1290962172456234
Energy: 2.04841885761079
Energy: 2.0478291516451037
Energy: 1.9485277147287616
Energy: 2.0904342591745513
Energy: 2.117232924153455
Energy: 2.1317564142141134
Energy: 2.2146149123024803
Energy: 2.143161102449634
Energy: 2.1177407325264923
Energy: 2.036786049812473
Energy: 2.122158422315381
Energy: 2.137191681432609
Energy: 2.115826194883862
Energy: 2.153798252541946
Energy: 2.154898002243334
Energy: 2.1307758911386925
Energy: 2.1206885982330896
Energy: 2.16768278440662
Energy: 2.1390319944903
Energy: 2.0864758680068665
Energy: 2.1684798224676194
Energy: 2.1759408977445758
Energy: 2.046662064154856
Energy: 2.136334440730625
Energy: 2.175180555231001
Energy: 2.1747572642081527
Energy: 2.0903962052268206
Energy: 2.168301910726046
Energy: 2.1759073238444584
Energy: 2.159287823720506
Energy: 2.0735410247743737
Energy: 2.1754203304832185
Energy: 2.166187739433671
Energy: 2.1391775914955105
Energy: 2.154488521054855
Energy: 2.1685481690060646
Energy: 2.1542852234890773
Energy: 2.1393445588443627
Energy: 2.167264601920443
Energy: 2.174971054501499
Energy: 2.118011856924906
Energy: 2.213201086557526
Energy: 2.175304911972867
Energy: 2.169624635569964
Energy: 2.1593945252813347
Energy: 2.155114770496947

minimum gb energy = 1.8392541478200142 eV
minimum distance =  2.4720773096221 Angstroms
sigma value = 113


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

Energy: 2.923859981917267
Energy: 2.136961555199537
Energy: 1.7568121939674874
Energy: 2.061366238105897
Energy: 2.061856618488034
Energy: 1.9053377221162597
Energy: 1.7788755211241776
Energy: 1.8540442636203436
Energy: 1.835374729231112
Energy: 1.8695696617499045
Energy: 1.8597610274026817
Energy: 1.900218184956721
Energy: 1.8786086300074012
Energy: 1.914796383968095
Energy: 1.8723216805778027
Energy: 1.827946555506916
Energy: 1.8649908192660438
Energy: 1.8567357969868035
Energy: 1.793077965197602
Energy: 1.842318368411943
Energy: 1.856302034585312
Energy: 2.0379356879062827
Energy: 1.8070689638125548
Energy: 1.809751787038022
Energy: 2.038315182349089
Energy: 1.7792658435400774
Energy: 1.8394231295661299
Energy: 1.8581291547742138
Energy: 1.7095548427326954
Energy: 1.8045926550385654
Energy: 1.8557216969839947
Energy: 1.8790572604889952
Energy: 1.781530735592692
Energy: 1.8420306211237178
Energy: 1.8547088222183032
Energy: 1.750189168913242
Energy: 1.7960780128837806
Energy: 1.823567369511366
Energy: 1.8242276451354043
Energy: 1.804612134922334
Energy: 1.7762923722408634
Energy: 1.876588657173317
Energy: 1.7482705537386394
Energy: 2.015141790821388
Energy: 1.7805928039921912
Energy: 1.8128224589493496
Energy: 1.8055068678846187
Energy: 1.8307040535459425
Energy: 1.8431526703046979
Energy: 1.7483454460075385
Energy: 1.9609114953642668
Energy: 1.8139725920601089
Energy: 1.7344381953661803
Energy: 1.7808127366203306
Energy: 1.8696150285384647
Energy: 1.7430515387727767
Energy: 1.7550312482081767
Energy: 1.735721290759672
Energy: 1.7813738812186122
Energy: 1.7874899364165355
Energy: 1.7766766180134976
Energy: 1.7583403229135446
Energy: 1.7787393075685847
Energy: 1.7021094096469984
Energy: 1.7162275431340785
Energy: 1.7613135054280957
Energy: 1.787114655037006
Energy: 1.7414304721170928
Energy: 1.786744531687355
Energy: 1.735408298275733
Energy: 1.7414298591150235
Energy: 1.8022420867771995
Energy: 1.7247931308721016
Energy: 1.7416870833969478
Energy: 1.754749741125562
Energy: 1.7561479238322
Energy: 1.7587733625205775
Energy: 1.7336118753308396
Energy: 1.7353806760250186
Energy: 1.7272674230094893
Energy: 1.752428139729308
Energy: 1.7645966405491107
Energy: 1.7297560936384764
Energy: 1.7302058869616357
Energy: 1.7217414303434648
Energy: 1.6997070711709112
Energy: 1.6703175568750455
Energy: 1.6961492796350315
Energy: 1.7850449873807432
Energy: 1.6889211481282609
Energy: 1.6719449477854953
Energy: 1.7316462509154131
Energy: 1.6780614041165183
Energy: 1.6723825819891356
Energy: 1.672592949409171
Energy: 1.746851344140764
Energy: 1.6893457427290934
Energy: 1.6787114441288769
Energy: 1.7163192602835553
Energy: 1.735434598404289
Energy: 1.6888654897473419
Energy: 1.6907136161837546
Energy: 1.7373426613057312
Energy: 1.7156522730307586
Energy: 1.6893066936741956
Energy: 1.661446393684414
Energy: 1.6832120933153552
Energy: 1.682734854281481
Energy: 1.665680746607597
Energy: 1.6820534950456003
Energy: 1.6757856919017198
Energy: 1.694315576916092
Energy: 1.6507199795718939
Energy: 1.6937735024835636
Energy: 1.6889030212576723
Energy: 1.665539020226095
Energy: 1.6625156269534822
Energy: 1.6539796683033512
Energy: 1.7020223237248788
Energy: 1.6731363551020306
Energy: 1.7046057608898741
Energy: 1.7359920585154125
Energy: 1.6655960528285365
Energy: 1.6980798966116675
Energy: 1.7345095009170384
Energy: 1.666414797524143
Energy: 1.6636084657104075
Energy: 1.662959365185047
Energy: 1.734777906116581
Energy: 1.6719155885993198
Energy: 1.6641128078735905
Energy: 1.7154194580527453
Energy: 1.6914253224337437
Energy: 1.609479043278166
Energy: 1.6035472820902694
Energy: 1.7035835114932716
Energy: 1.6397178216246617
Energy: 1.5951911584134355
Energy: 1.703768683268278
Energy: 1.6494133504747241
Energy: 1.7250589572399215
Energy: 1.6954650994185683
Energy: 1.712040232937627
Energy: 1.7062122060355314
Energy: 1.7106257958819893
Energy: 1.7032839903845018
Energy: 1.7067733447616809
Energy: 1.7087971228259207
Energy: 1.699528303351605
Energy: 1.7033796118493845
Energy: 1.7278280696052106
Energy: 1.7017747719513376
Energy: 1.716756472155271
Energy: 1.70807701226862
Energy: 1.677072168588631
Energy: 1.7084348281062882
Energy: 1.6275729752791672
Energy: 1.6375839132220136
Energy: 1.7042305925426
Energy: 1.596729449847297
Energy: 1.668886976848267
Energy: 1.7335050818717475
Energy: 1.6914943980827646
Energy: 1.6441928058276527
Energy: 1.7118701239695706
Energy: 1.73329246867622
Energy: 1.6635212973599098
Energy: 1.6510925417635778
Energy: 1.7642756781773785
Energy: 1.728596063033014
Energy: 1.6941411453009922
Energy: 1.6750047218442485
Energy: 1.767879680699529
Energy: 1.7087913429063328
Energy: 1.6797763678103013
Energy: 1.6584799742759553
Energy: 1.670520737835289
Energy: 1.6831411307036626
Energy: 1.670374816377485
Energy: 1.6504481259004906
Energy: 1.6876426816636712
Energy: 1.6630812887367585
Energy: 1.6554740671470212
Energy: 1.6625529952408058
Energy: 1.6693997483672778
Energy: 1.6693223156835153
Energy: 1.6766239232828948
Energy: 1.6994819950729485
Energy: 1.6514859732979779
Energy: 1.6884749696739787
Energy: 1.7137859065658523
Energy: 1.737511358369883
Energy: 1.6882940251374507
Energy: 1.7392828387315291
Energy: 1.7301866975821685
Energy: 1.6691663621456991
Energy: 1.6706599264480864
Energy: 1.711390035476377
Energy: 1.7480507841583501
Energy: 1.695553023678931
Energy: 1.6784158420357236
Energy: 1.7492400376647672
Energy: 1.6849122335971238
Energy: 1.6717791359164393
Energy: 1.6726280337237416
Energy: 1.7851569597910657
Energy: 1.6996510584854292
Energy: 1.6827957595448937
Energy: 1.742151520395315
Energy: 1.7102012776822015
Energy: 1.724599789579443
Energy: 1.7128064948850876
Energy: 1.7279758212944123
Energy: 1.756905290800743
Energy: 1.7246960885947191
Energy: 1.739891875751279
Energy: 1.7258568198281536
Energy: 1.7205070872380221
Energy: 1.7065915274533743
Energy: 1.7380586014837807
Energy: 1.7564844896735203
Energy: 1.7230317700838123
Energy: 1.7870712908190702
Energy: 1.7427076258225904
Energy: 1.7321942010044575
Energy: 1.7414084242092909
Energy: 1.739581837105533
Energy: 1.7888517082250077
Energy: 1.7856776086016393
Energy: 1.7577496104188535
Energy: 1.7846680139172886
Energy: 1.8039221756028883
Energy: 1.7578747956941227
Energy: 1.7516318451636155
Energy: 1.813931846188057
Energy: 1.7927139898513955
Energy: 1.7736224894105284
Energy: 1.7594021623073053
Energy: 1.7499751474529603
Energy: 1.799632595168038
Energy: 1.749245062095573
Energy: 1.7436815056145076
Energy: 1.8084412330599342
Energy: 1.7800233650671922
Energy: 1.7599625450709353
Energy: 1.7359364332221148
Energy: 1.8040260398123822
Energy: 1.7750284911972944
Energy: 1.7420579257843174
Energy: 1.8819124019015612
Energy: 1.8065892918247461
Energy: 1.7660886421587336
Energy: 1.8278122283357163
Energy: 1.80529557413554
Energy: 1.77499801355994
Energy: 1.8319504541579297
Energy: 1.8408854920161832
Energy: 1.798858077878022
Energy: 1.7624173285697264
Energy: 1.853657432853487
Energy: 1.8052033241899823
Energy: 1.8218614789324088
Energy: 1.8555815823332893
Energy: 1.8406600301630094
Energy: 1.8054096935745982
Energy: 1.9117101199602522
Energy: 1.8545181237242656
Energy: 1.9856541461779387
Energy: 2.0171896393278
Energy: 1.8594045625048634
Energy: 1.840938693155532
Energy: 1.8093109288375702
Energy: 2.071836862888348
Energy: 1.859211269471548
Energy: 1.8441203447333419
Energy: 1.8567647099663656
Energy: 1.8615771382136255
Energy: 1.899983151620189
Energy: 1.8510424341951417
Energy: 1.8719861188578477
Energy: 1.8439141904179552
Energy: 1.808418542412146
Energy: 1.945783301957747
Energy: 1.8580973175762485
Energy: 1.8829749448598208
Energy: 1.8791338541639757
Energy: 1.9354311223080694
Energy: 1.7402759852183514
Energy: 1.9694394189541016
Energy: 1.8853854988947358
Energy: 1.8003120521159361
Energy: 1.7797974926495388
Energy: 1.8959344569870562
Energy: 1.9368529050685543
Energy: 1.8707102092624348
Energy: 1.8245688565443843
Energy: 1.8543770651461573
Energy: 1.883177640771902
Energy: 1.883587291824478
Energy: 1.9073134548445714
Energy: 1.8617826676577962
Energy: 1.8552685622444793
Energy: 1.8457376168350765
Energy: 1.9017868967771787
Energy: 1.8596266463104707
Energy: 1.8991121574583798
Energy: 1.9017466245879682
Energy: 1.9365087110180437
Energy: 1.9349564974181548
Energy: 1.9963099513672096
Energy: 1.8148046837455891
Energy: 1.8927648631989429
Energy: 1.8939081761663097
Energy: 1.8091495571246001
Energy: 1.7504454284314566

minimum gb energy = 1.5951911584134355 eV
minimum distance =  2.46616216529399 Angstroms
sigma value = 365


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

Energy: 2.219334071533303
Energy: 2.0887708381598067
Energy: 2.041396512860998
Energy: 2.0546385112662446
Energy: 2.0561903620828916
Energy: 2.0427540278495666
Energy: 2.1378372935882464
Energy: 1.0051415207991738
Energy: 0.7602480489425822
Energy: 0.7583907879726108
Energy: 0.7586646359460518
Energy: 0.7585888418368435
Energy: 0.7584571697758956
Energy: 0.7586458520077096
Energy: 0.7239321674729738
Energy: 0.7585698856570384
Energy: 0.758573470726772
Energy: 0.758096428683392
Energy: 0.7583003398751349
Energy: 0.7580249667894631
Energy: 0.7584126627272382
Energy: 2.0913164521218532
Energy: 2.0917598959104904
Energy: 2.041269186808563
Energy: 2.053288480748698
Energy: 2.052145456907617
Energy: 2.131773126678152
Energy: 2.1351258319232054
Energy: 2.087890327582696
Energy: 2.088717757796424
Energy: 2.119043730410126
Energy: 1.5322013510844548
Energy: 2.0524416980990248
Energy: 1.5315033808468905
Energy: 2.088386110557126
Energy: 0.7245117069544427
Energy: 0.7582880874920803
Energy: 0.7581621161124434
Energy: 0.7583696941101762
Energy: 0.75858079877501
Energy: 0.7582683306551713
Energy: 0.7583902717412143
Energy: 2.0877640066046057
Energy: 2.0885839645488655
Energy: 2.136693528312718
Energy: 2.0514878552147073
Energy: 2.053892963694637
Energy: 2.1359541925961785
Energy: 2.088325275568704
Energy: 2.0878710763958637
Energy: 2.0883874508925158
Energy: 2.131970341134381
Energy: 2.1649854078996436
Energy: 2.053269726666666
Energy: 2.0395047700917126
Energy: 2.088645391720509
Energy: 0.7238133290355557
Energy: 0.7586818080278461
Energy: 0.758564107381863
Energy: 0.758235617302621
Energy: 0.7578997030986646
Energy: 0.7582210675071004
Energy: 0.7584805366049868
Energy: 2.0889605836583343
Energy: 2.0885311179566957
Energy: 2.1190140149578585
Energy: 1.5318210669062593
Energy: 1.5317285443864606
Energy: 2.117640923858867
Energy: 2.089062529530594
Energy: 2.092217973015672
Energy: 2.091625205439344
Energy: 2.131114127537307
Energy: 2.0535941509656785
Energy: 2.115256332195855
Energy: 2.0401406288994597
Energy: 2.1395441249379425
Energy: 0.7245054282370431
Energy: 0.7588145251060453
Energy: 0.7587172005528156
Energy: 0.7584135967075178
Energy: 0.7580089546064541
Energy: 0.7585424051008098
Energy: 0.7584742480169641
Energy: 0.7247102213931413
Energy: 0.7597269353912448
Energy: 0.7583360095924715
Energy: 0.7581171994168533
Energy: 0.7579836077190006
Energy: 0.7584132363689225
Energy: 0.7587864450114232
Energy: 2.0903342280527615
Energy: 2.090415565764052
Energy: 2.09594485371698
Energy: 2.055769557256598
Energy: 2.1146765351633685
Energy: 2.0406837373842377
Energy: 2.1367799406841645
Energy: 1.5354049162654853
Energy: 1.5352020812697524
Energy: 1.5315086576409451
Energy: 0.7599253288985535
Energy: 0.7598510243588275
Energy: 0.7584516038267798
Energy: 2.0893638958340466
Energy: 0.724224760481741
Energy: 0.7586206137017398
Energy: 0.7583474371360897
Energy: 0.7579777146260617
Energy: 0.7582385187658653
Energy: 0.7580448958306716
Energy: 0.7584383538634302
Energy: 2.0883515997348954
Energy: 2.088148731916374
Energy: 2.0407431597234664
Energy: 2.053440012768952
Energy: 2.0527879076702176
Energy: 2.130971074261362
Energy: 2.134481953513839
Energy: 2.0888865449457135
Energy: 2.0881089067099605
Energy: 2.0892309048971396
Energy: 2.163654675827984
Energy: 2.054238604206964
Energy: 1.5314906209813584
Energy: 2.0880357690217073
Energy: 0.7247362601821646
Energy: 0.7585249338401765
Energy: 0.7583396666733783
Energy: 0.7580749693543747
Energy: 0.7586412530975806
Energy: 0.7584772556280526
Energy: 0.7584395574117173
Energy: 2.0880839401972353
Energy: 2.088133417713344
Energy: 2.089306358194972
Energy: 2.05229992629633
Energy: 2.052287088929172
Energy: 2.134242855898329
Energy: 2.0881980723742024

minimum gb energy = 0.7238133290355557 eV
minimum distance =  2.55936858410357 Angstroms
sigma value = 23