Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdMo__MO_356501945107_001
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=3.146558970212937
cohesive_energy=6.810535640519527
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=[1.9374481164308399e-19, 3.5293067329078798e-19, 4.52312087721174e-19, 5.3666508532464e-19, 6.09799642136838e-19, 6.73997257684584e-19, 7.30778397593544e-19, 7.81226133268302e-19, 8.2615437043893e-19, 8.66191162345956e-19, 9.0184119462909e-19, 9.3351622668327e-19, 9.61559124308172e-19, 9.862582792979158e-19, 1.0078588246775039e-18, 1.026577054292526e-18, 1.0426004228091599e-18, 1.0560907500674399e-18, 1.0671970384943278e-18, 1.076047462220544e-18, 1.08275898014037e-18, 1.087440540264918e-18, 1.09018506883896e-18, 1.0910822877539998e-18, 1.090114573067064e-18, 1.0869727046877898e-18, 1.0812577406343119e-18, 1.072485823563162e-18, 1.060083374239368e-18, 1.043355048003774e-18, 1.021464508653432e-18, 9.933895674958498e-19, 9.57888537639678e-19, 9.1342493169291e-19, 8.58104976874158e-19, 7.895606561183699e-19, 7.04818329592842e-19, 6.001048713245039e-19, 4.705913209384799e-19, 3.10017974325732e-19, 1.102066810756704e-19, -1.397165316266628e-19, -4.54375691225766e-19, -8.538223587314759e-19, -1.3660157981483999e-18, -2.03085501419304e-18, -2.9066368058701197e-18, -4.0812085180218594e-18, -5.6915242093225795e-18, -7.96014223600122e-18, -1.1267883962193239e-17, -1.63095172634664e-17, -2.44631543715558e-17, -3.8787895220823e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.02123187321380877
Energy: 0.022434158908651535
Energy: 27.427572635316174
Energy: 0.022110928131537214
Energy: 0.022038713193883286
Energy: 27.037247994751205
Energy: 0.02232621548916856
Energy: 0.022186081532144637
Energy: 0.3725958307795144
Energy: 0.6777579871254175
Energy: 0.2622321992356406
Energy: 0.37228757441463023
Energy: 0.37212798054494006
Energy: 0.262146157784255
Energy: 0.2622159309221383
Energy: 0.37263372206252116
Energy: 0.37301998724268054
Energy: 0.2623211212670936
Energy: 0.3727060873231908
Energy: 0.3722581915956359
Energy: 0.2619084219112742
Energy: 1.8340352490471497
Energy: 0.3726226545875902
Energy: 1.8171736596653632
Energy: 1.841657971969942
Energy: 0.2619158391502814
Energy: 0.3724144167519292
Energy: 1.827743176793611
Energy: 0.2622727621318022
Energy: 0.37548846373556793
Energy: 0.678251314196696
Energy: 0.26295227896741685
Energy: 0.3727091220547227
Energy: 0.3726366287810978
Energy: 0.26188579513444915
Energy: 0.021886273956096897
Energy: 0.37269720317915017
Energy: 0.26193445198356224
Energy: 0.02228556274850007
Energy: 0.022265838681173187
Energy: 0.37235710832967317
Energy: 0.26249974298448536

minimum gb energy = 0.02123187321380877 eV
minimum distance =  2.68666737225761 Angstroms
sigma value = 5


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

Energy: 3.619690197956626
Energy: 2.45575279943919
Energy: 7.613424419960102
Energy: 2.1344743979590333
Energy: 7.600493274900956
Energy: 7.573462595282712
Energy: 2.8611812890113724
Energy: 2.078633886473752
Energy: 2.1270888798840395
Energy: 2.1141776302567625
Energy: 2.12713247143841
Energy: 2.091796038124728
Energy: 2.124554765328024
Energy: 2.0667825110727454
Energy: 2.0099713038189875
Energy: 2.062652180126799
Energy: 2.0541420940342223
Energy: 2.0008161978906083
Energy: 2.0590447212154372
Energy: 2.0519194131558507
Energy: 2.008891646791259
Energy: 2.0195722664434097
Energy: 2.0778160149103226
Energy: 2.0459350589734155
Energy: 2.0126947497436283
Energy: 2.0373575294599044
Energy: 2.073550738281063
Energy: 2.0308064219765507
Energy: 2.013654717133854
Energy: 2.0300642665152275
Energy: 2.0375507407971236
Energy: 2.0096872716794008
Energy: 2.0336170411712904
Energy: 2.028995933486752
Energy: 1.986733228712255
Energy: 2.0670430358193896
Energy: 2.0290788298169384
Energy: 1.988534854861263
Energy: 2.039627647313313
Energy: 2.0257444242418403
Energy: 1.989161088495261
Energy: 2.0463754920686408
Energy: 2.0686300373077118
Energy: 2.0043869584013843
Energy: 2.0115268303794056
Energy: 2.0610302263833344
Energy: 2.0643241633222886
Energy: 1.9998449004035095
Energy: 2.01824234854049
Energy: 2.049930619905138
Energy: 2.0027498752498425
Energy: 2.004649458989655
Energy: 2.081574997465113
Energy: 2.021141309256167
Energy: 1.9959693440431263
Energy: 2.0400055165597375
Energy: 2.19075064127732
Energy: 2.099478568138964
Energy: 2.0647264048347607
Energy: 2.1003700889623267
Energy: 2.0843521148398114
Energy: 2.083948273866438
Energy: 2.095837157205523
Energy: 2.1955766976699063
Energy: 2.104809914006449
Energy: 2.0879688829202996
Energy: 2.0347587835667293
Energy: 7.4049403651481045
Energy: 1.9951277440824058
Energy: 2.1434158964791474
Energy: 2.120572776758091
Energy: 2.1037501599885005
Energy: 2.058371310201543
Energy: 2.1173140631624685
Energy: 2.094337907807543
Energy: 2.0573983982713986
Energy: 2.169847187450502
Energy: 2.1591661848180603
Energy: 2.049889186657262
Energy: 2.0062122408933063
Energy: 2.166393145514572
Energy: 2.112392763293879
Energy: 2.0522605302449484
Energy: 2.0208219952545665
Energy: 2.0621513941403076
Energy: 1.9816597337104316
Energy: 2.007936558124164
Energy: 2.03907638797063
Energy: 2.035840733501386
Energy: 1.9822433237111423
Energy: 2.037251746890373
Energy: 1.9773752527741117
Energy: 2.128990633855164
Energy: 1.9544819048030695
Energy: 1.9893732824456958
Energy: 1.9606816450467686
Energy: 1.9951251136063468
Energy: 2.119352269580941
Energy: 1.9703272086272987
Energy: 1.943260874450744
Energy: 1.9643060945675148
Energy: 1.9961740649153725
Energy: 1.9532730945531371
Energy: 1.9840755405873638
Energy: 1.985349054082169
Energy: 1.9576496655348294
Energy: 1.962292984113521
Energy: 1.9612352308023209
Energy: 1.994442878156994
Energy: 1.9570042689334395
Energy: 1.9781774014877167
Energy: 1.9669801115779575
Energy: 1.9615788642025318
Energy: 1.9576865144230053
Energy: 2.043828702817925
Energy: 1.9911171944553432
Energy: 1.9529158009466452
Energy: 2.0410969715915597
Energy: 1.9808270036238556
Energy: 2.161597359725763
Energy: 1.983458110974182
Energy: 2.082277055861656
Energy: 2.0071850273261393
Energy: 2.078658653658562
Energy: 2.087829735476676
Energy: 2.046179657210356
Energy: 2.0974310390848916
Energy: 2.11031406219672
Energy: 2.0988096347137066
Energy: 2.083811625937355
Energy: 2.0629134797161988
Energy: 2.1406875557362626
Energy: 2.094796056503028
Energy: 2.0845208293353474
Energy: 2.1155129264460886
Energy: 2.1821299803515646
Energy: 2.088776995093993
Energy: 2.0708739464055457
Energy: 2.077390537002809
Energy: 2.1094784696723976
Energy: 1.966076600006485
Energy: 2.074383830649871
Energy: 2.0889475828554915
Energy: 2.034392819776662
Energy: 2.0252022765350204
Energy: 2.1600605447467465
Energy: 2.0434913503428707
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Energy: 2.148652888177677
Energy: 2.084112210387452
Energy: 2.0861205948546004
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Energy: 2.1334797976977637
Energy: 2.0986384486961085
Energy: 1.9382434588626518
Energy: 1.9712077948110505
Energy: 1.971536328641582
Energy: 1.9023416767649088
Energy: 1.9385467500748466
Energy: 2.007083595307086
Energy: 1.9140207554313573
Energy: 1.9202814281719287
Energy: 1.988368192919582
Energy: 1.9730085268159767
Energy: 1.9149091026902965
Energy: 1.9639028266058332
Energy: 2.0010970583752603
Energy: 1.9474669610763728
Energy: 1.9326849248983224
Energy: 1.9777478118412894
Energy: 1.9591493517925749
Energy: 1.9293686918961213
Energy: 1.9600125046128871
Energy: 2.009136730158036
Energy: 1.911267835989371
Energy: 2.1091409399746324
Energy: 2.1529230606259864
Energy: 2.078993263610571
Energy: 2.094733832807441
Energy: 2.0186857452972946
Energy: 2.0105792382584293
Energy: 2.1031633851529556
Energy: 1.9556372981692438
Energy: 2.1310015936257916
Energy: 1.9269841474218492
Energy: 1.9886139010460588
Energy: 1.9629000406365644
Energy: 2.0473594314579966
Energy: 2.0391266016347864
Energy: 2.158405474493558
Energy: 2.170802492099637
Energy: 2.128061531863983
Energy: 2.11434132162004
Energy: 2.077598129527427
Energy: 2.0117559034062955
Energy: 2.1259615278641255
Energy: 2.021931205088904
Energy: 2.2331432445922585
Energy: 2.116239903839409
Energy: 2.0366718079828163
Energy: 2.1800351340499726
Energy: 2.106793925583679
Energy: 2.1219663528182906
Energy: 2.1670218855808145
Energy: 1.9685841882403392
Energy: 2.006545416779862
Energy: 2.134536351874511
Energy: 2.0450252586277915
Energy: 1.98368572408092
Energy: 1.984656192360655
Energy: 2.2145106522197735
Energy: 2.151881260265918
Energy: 2.0956259907415125
Energy: 2.0938193948109842
Energy: 2.1324332434430078
Energy: 2.097192212502877
Energy: 2.0719114246846004
Energy: 1.9694669586335105
Energy: 1.9686595915803013
Energy: 1.9102033218563794
Energy: 2.008180711303448
Energy: 1.9792931481377385
Energy: 1.914058711307584
Energy: 1.9562736806622127
Energy: 1.9959199214485266
Energy: 1.9046059186507425
Energy: 1.96932144376561
Energy: 2.0106611727693635
Energy: 1.9886290940525297
Energy: 1.9210071182189845
Energy: 1.9742679618499384
Energy: 1.9579691726347723
Energy: 1.9443383649879609
Energy: 1.8983403231381346
Energy: 2.001204459393557
Energy: 1.9862089594893646
Energy: 1.905141092032404
Energy: 1.9736363031904736
Energy: 2.149232991476646
Energy: 2.013740824075911
Energy: 2.0876979736563857
Energy: 2.060927794900357
Energy: 2.1284361387901667
Energy: 2.0772104905959705
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Energy: 2.0194057820941813
Energy: 2.0861846355321414
Energy: 2.0970633380565125
Energy: 2.1335737349535635
Energy: 2.0839392161190053
Energy: 2.0547167056156694
Energy: 2.104735126188733
Energy: 2.1623941394790154
Energy: 2.120788244929434
Energy: 2.106179758148626
Energy: 2.137746077586803
Energy: 2.105112862421303
Energy: 2.2002256723211233
Energy: 2.118106572118722
Energy: 2.1530487577879738
Energy: 2.094721259668366
Energy: 2.13203520678135
Energy: 2.0836099494406017
Energy: 2.0816143429348526
Energy: 2.157650135613659
Energy: 2.118686493743836
Energy: 2.126957982255655
Energy: 1.9989498578697134
Energy: 1.9532112913455384
Energy: 6.968025149850816
Energy: 1.9992311491593047
Energy: 2.1334258916856417
Energy: 1.9438985674827836
Energy: 1.952309014701618
Energy: 1.976617613866982
Energy: 2.010441925520808
Energy: 1.954688658590936
Energy: 1.9813402834060574
Energy: 2.017434992459813
Energy: 1.9603762427271691
Energy: 1.9579329051763203
Energy: 1.9893005357138172
Energy: 1.9812309814044429
Energy: 1.9602199076266935
Energy: 1.993412763202833
Energy: 1.9590992908314506
Energy: 1.942324221738513
Energy: 1.9641777257198745
Energy: 1.9743043431738434
Energy: 1.958317076348609
Energy: 1.9608112282467096
Energy: 1.995588216596621
Energy: 1.9948579630815657
Energy: 2.202253895968577
Energy: 2.1505108056643243
Energy: 2.109039110974498
Energy: 2.073010017045636
Energy: 2.0630836119956983
Energy: 2.128196775479613
Energy: 2.0551222018405957
Energy: 1.9739192982851803
Energy: 2.045346472415692
Energy: 2.051843356456723
Energy: 1.9848677050286678
Energy: 2.0374446365318177
Energy: 2.0442829288589706
Energy: 1.9910988275372425
Energy: 2.0656827493713186
Energy: 2.1268873487417257
Energy: 2.050877421590191
Energy: 1.9944189922873892
Energy: 2.108656596496982
Energy: 2.1624157409815035
Energy: 2.0052224654716553
Energy: 2.069980144121324
Energy: 2.1020218035913465
Energy: 2.1241229186548996
Energy: 2.059478809527919
Energy: 2.0924999348825573
Energy: 2.126579475175407
Energy: 2.0588624080079283
Energy: 2.0979918869738037
Energy: 2.1004185898522096
Energy: 2.2115278170505595
Energy: 1.9989274470436356
Energy: 1.9976237184047942
Energy: 2.191739563775788
Energy: 2.060116851100741

minimum gb energy = 1.8983403231381346 eV
minimum distance =  2.47165384627714 Angstroms
sigma value = 401


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

Energy: 3.268433583482482
Energy: 2.0403475187089697
Energy: 7.939397690986805
Energy: 2.4081710761118944
Energy: 2.421363948438364
Energy: 8.012541471805985
Energy: 2.501322450655364
Energy: 2.0856230489212573
Energy: 2.0416794867837353
Energy: 2.215784685212257
Energy: 2.164836976484126
Energy: 2.0562619580243022
Energy: 2.1467620210779703
Energy: 2.0352103078599417
Energy: 2.046037574487391
Energy: 2.1249517168831673
Energy: 2.2115720333400817
Energy: 2.034992652564782
Energy: 2.0791957682123163
Energy: 2.189091497216783
Energy: 2.0653136904601155
Energy: 2.0543458790528413
Energy: 2.0576443894292367
Energy: 2.135683046766279
Energy: 2.0500888879084056
Energy: 2.0884494471753845
Energy: 2.0537762865916815
Energy: 2.1668484046595418
Energy: 2.072502312942496
Energy: 2.07528789809337
Energy: 2.1907161870535625
Energy: 2.085537692407385
Energy: 2.107898146426457
Energy: 2.19681654195541
Energy: 2.0960561504297845
Energy: 2.2008639071244085
Energy: 2.0878795740392935
Energy: 2.0666130368190814
Energy: 2.158649326944605
Energy: 2.1989406691034397
Energy: 2.0520416398417405
Energy: 2.0990182347391375
Energy: 2.218877323875474
Energy: 2.0820431461218254
Energy: 2.0766219106567263
Energy: 2.1044890234165265
Energy: 2.1973329932311207
Energy: 2.055078236700288
Energy: 2.0785035680415707
Energy: 2.1931351780927826
Energy: 2.0471696277588984
Energy: 2.0366777330780392
Energy: 2.078895188514603
Energy: 2.009413542428634
Energy: 2.034856578081517
Energy: 2.1019744956714197
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Energy: 2.0905841006876997
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Energy: 2.1805876211225246
Energy: 1.9789418988140781
Energy: 1.9660890657427894
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Energy: 2.086973371872075
Energy: 2.109229915371716
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Energy: 2.272050467894496
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Energy: 2.058368061575648
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Energy: 2.0289912861279804
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Energy: 2.0488323735817646
Energy: 2.061561641039953
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Energy: 2.0842632973810282
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Energy: 2.063887227979114
Energy: 2.023235946620935
Energy: 2.014571594535909
Energy: 1.99641435872251
Energy: 2.076795225480781
Energy: 2.0690014436294164
Energy: 2.0140831119787173
Energy: 1.986431620346898
Energy: 2.106056479420152
Energy: 1.9827344759137613
Energy: 1.9851178563003307
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Energy: 1.9499769237700446
Energy: 1.97485715994567
Energy: 2.0980727182829444
Energy: 1.9594641970628122
Energy: 1.9455861202397944
Energy: 2.160494528549241
Energy: 2.015581639505674
Energy: 1.9110552027860657
Energy: 2.0625873263774936
Energy: 2.1782437318384154
Energy: 1.9552063607046628
Energy: 2.01207657789248
Energy: 2.064562351087499
Energy: 1.963404652887896
Energy: 2.0711874885205375
Energy: 2.0099810738688477
Energy: 1.955389236346062
Energy: 2.0665983195455015
Energy: 2.0665512387372202
Energy: 2.2695046724593118
Energy: 1.9573633248910667
Energy: 1.898065701415943
Energy: 2.056507430392815
Energy: 2.0732389041671193
Energy: 1.898392352285944
Energy: 1.8982751964478626
Energy: 2.3011816218500742
Energy: 1.937751286179188
Energy: 2.0664221138695424
Energy: 1.8983919209627182
Energy: 2.1946490638976837
Energy: 2.010730896744312
Energy: 2.010972545758777
Energy: 2.2644006831797863
Energy: 1.9568125594083123
Energy: 1.956604089382288
Energy: 1.9187074692562376
Energy: 2.1270160598839727
Energy: 1.9543960701552072
Energy: 1.9550573931436461
Energy: 2.0915075752490284
Energy: 1.9546732465144614
Energy: 1.9555913394055153
Energy: 2.0266951711621246
Energy: 2.054689571755439
Energy: 1.9886150850756525
Energy: 1.9250088249443302
Energy: 2.0509678767747976
Energy: 2.0334479584540577
Energy: 1.9854522255032212
Energy: 1.9929959194481837
Energy: 2.040626594446134
Energy: 1.970712858797429
Energy: 1.9888688794191822
Energy: 2.0557836107064555
Energy: 1.9690552832210921
Energy: 2.1666108716827472
Energy: 2.09082143214413
Energy: 2.0719084514611517
Energy: 2.1232044801279177
Energy: 2.200243870604664
Energy: 2.0781723038512268
Energy: 2.109903077792975
Energy: 2.2539132783912783
Energy: 2.0577531317460087
Energy: 2.077243907361996
Energy: 2.1702572633911648
Energy: 2.2143611132331227
Energy: 2.0574451428313987
Energy: 2.0573966250351545
Energy: 2.232917839556685
Energy: 2.103676934127108
Energy: 2.077404459806014
Energy: 2.105624299330824
Energy: 2.103160611930156
Energy: 2.0723528333118915
Energy: 2.134028144490812
Energy: 2.201005292774927
Energy: 2.025138623662556
Energy: 2.105518094367304
Energy: 2.0958200157400566
Energy: 2.083443192703164
Energy: 2.116218483138984
Energy: 2.1153614069687126
Energy: 2.231296476978211
Energy: 2.0245107613375275
Energy: 1.9642811475357747
Energy: 2.147866220429903
Energy: 2.0867291359831968
Energy: 1.9648201605362643
Energy: 2.071121987164222
Energy: 2.0571715951371092
Energy: 2.104474063970772
Energy: 2.1123847485309644
Energy: 2.0437526159318566
Energy: 2.101248920945013
Energy: 2.1931846897690432
Energy: 2.1282525423914693
Energy: 2.2417460021762547
Energy: 2.1993453338617797
Energy: 2.1381081619611444
Energy: 2.106426470361422
Energy: 2.062779440920739
Energy: 2.1436095538800357
Energy: 2.13678082369075
Energy: 2.249853112745851
Energy: 2.0677320648883897
Energy: 2.038082402274515
Energy: 2.1384231562592757
Energy: 2.1867167464270003
Energy: 2.0371882766835276
Energy: 2.0376376244218846
Energy: 2.141696610589477
Energy: 2.0621117761179675
Energy: 2.077176265297236
Energy: 2.1062710985195903
Energy: 2.10008599773201
Energy: 2.1514373594975282
Energy: 2.0693681785534745
Energy: 2.0447067043280645
Energy: 2.0136222763519465
Energy: 2.0460549106129027
Energy: 2.028576392006336
Energy: 2.028303845536776
Energy: 2.037399449599001
Energy: 2.0321306825893717
Energy: 2.0502698805509363
Energy: 2.0394788372320125
Energy: 2.0147175277549643
Energy: 2.0275292498429667
Energy: 2.0309339010895284
Energy: 2.047646598642844
Energy: 2.031686985632638
Energy: 1.990991883871403
Energy: 2.021566452768753
Energy: 2.0879538591917295
Energy: 2.001718105848567
Energy: 1.9907129710454428
Energy: 2.044183917886908
Energy: 1.9896054587252687
Energy: 2.1576346345788333
Energy: 2.048431064885161
Energy: 2.228211411374474
Energy: 2.033851979817176
Energy: 2.1676662255562675
Energy: 2.274518318471972
Energy: 2.0341943627205645
Energy: 2.0391356823416635
Energy: 2.0114550352179097
Energy: 2.213016292074168
Energy: 2.0374429403928884
Energy: 2.0305006633169596
Energy: 2.2708744539001318
Energy: 2.167363553035566
Energy: 2.1643249345880418
Energy: 2.14985398257068
Energy: 2.2185080133057133
Energy: 2.1531145747897793
Energy: 2.17890692309055
Energy: 2.412977564325591
Energy: 2.0649907937632173
Energy: 1.9795823616073918
Energy: 2.164492855040884
Energy: 2.2511514894186635
Energy: 1.9764505020652514
Energy: 2.1258260278688392
Energy: 2.2503012399050943
Energy: 2.043779024689695

minimum gb energy = 1.898065701415943 eV
minimum distance =  2.50689614994127 Angstroms
sigma value = 311


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

Energy: 3.5033403377727246
Energy: 3.31395550876181
Energy: 7.959526475069993
Energy: 2.298866035019646
Energy: 3.3355770338219286
Energy: 7.759408193260931
Energy: 2.306117869184303
Energy: 2.105449022916342
Energy: 2.2204785499825292
Energy: 1.996947032602996
Energy: 2.0093128109609313
Energy: 2.054712410741792
Energy: 2.053644617346345
Energy: 2.015382840735425
Energy: 2.1207314058302673
Energy: 2.069086170364614
Energy: 2.0014484897883698
Energy: 2.006947605087647
Energy: 2.0965878663434863
Energy: 1.9931614016564279
Energy: 1.9906091665295575
Energy: 2.29432645308117
Energy: 2.219759614498878
Energy: 2.112003924681989
Energy: 2.200424774529633
Energy: 2.1185568473939145
Energy: 2.039012972424651
Energy: 2.1385743495300225
Energy: 2.206135062103279
Energy: 2.1654484991000826
Energy: 2.079447066574596
Energy: 2.075511945071064
Energy: 2.1245737837266367
Energy: 2.148452571507832
Energy: 2.152636496716693
Energy: 2.3011380844250415
Energy: 2.262628726127595
Energy: 2.2426704472699006
Energy: 2.2771754932503825
Energy: 2.2587685193839637
Energy: 2.207506840367025
Energy: 2.247620142651459
Energy: 2.265809947646407
Energy: 2.2912500590224685
Energy: 2.2407335652887057
Energy: 2.2514167800322036
Energy: 2.257323675872862
Energy: 2.283619002414275
Energy: 2.240816981077578
Energy: 2.2404560662984863
Energy: 2.3061175965895195
Energy: 2.2457021855548245
Energy: 2.228405844330939
Energy: 2.231419419338819
Energy: 2.2943912658032395
Energy: 2.2471801488465095
Energy: 2.122546823814281
Energy: 2.2859966422516873
Energy: 2.4462366708339767
Energy: 2.345872154741815
Energy: 2.372468189674038
Energy: 2.511593895490894
Energy: 2.301639986888211
Energy: 2.131651133867869
Energy: 2.2856556087982947
Energy: 2.3989473959338325
Energy: 2.13840450735307
Energy: 2.4093714561229893
Energy: 2.3456157966208746
Energy: 2.1963986912401223
Energy: 2.168919111317773
Energy: 2.2617333122830945
Energy: 2.1736834854043003
Energy: 2.1332097797053704
Energy: 2.1356594879924464
Energy: 2.135600224360558
Energy: 2.186164584271607
Energy: 2.1523186034882116
Energy: 2.2517447921852165
Energy: 2.170439469903092
Energy: 2.2345421308147104
Energy: 2.2749004556064945
Energy: 2.2120322248849082
Energy: 2.1649195626593176
Energy: 7.710223623491224
Energy: 3.2948368164941617
Energy: 2.193908684275173
Energy: 7.797301002886029
Energy: 3.3065192905793053
Energy: 2.188069749634173
Energy: 2.1698684953061327
Energy: 2.1355042898691567
Energy: 2.1008266629915258
Energy: 2.050368199317258
Energy: 2.0457764321593452
Energy: 2.1102952444769714
Energy: 2.0490447489278694
Energy: 2.045933894601757
Energy: 2.030367628293824
Energy: 2.114121242099596
Energy: 2.066182284559303
Energy: 2.2844512764951967
Energy: 2.2422593001836577
Energy: 2.1337203719805182
Energy: 2.060223372168929
Energy: 2.100252372813502
Energy: 2.236941889088416
Energy: 2.1759132500148484
Energy: 2.2512680582197566
Energy: 2.2374569865726057
Energy: 2.2796203129231674
Energy: 2.2287294989945856
Energy: 2.164043669089343
Energy: 2.134240114239362
Energy: 2.139286962440795
Energy: 2.1495601675472105
Energy: 2.2815431497395786
Energy: 2.0750007609212218
Energy: 2.138516807119206
Energy: 2.272996797275767
Energy: 2.2514395313768887
Energy: 2.2156750638243574
Energy: 2.245361589974732
Energy: 2.2502620061128806
Energy: 2.2544479287538914
Energy: 2.1894418894343888
Energy: 2.2911830728347065
Energy: 2.2616304096678035
Energy: 2.2147895408019513
Energy: 2.2527531592501986
Energy: 2.2910634618905954
Energy: 2.2496028239287216
Energy: 2.2304907542963166
Energy: 2.317253281471801
Energy: 2.274237065914266
Energy: 2.182016598164594
Energy: 2.1944216567815333
Energy: 2.2442430596202407
Energy: 2.1014080253056706
Energy: 2.23070536354584
Energy: 2.3732839164417676
Energy: 2.327275380413467
Energy: 2.259844138518836
Energy: 2.2237066868618816
Energy: 2.4543241396115167
Energy: 2.311510396554838
Energy: 2.267591989610853
Energy: 2.3060448690212842
Energy: 2.4026933091011964
Energy: 2.317723794965014
Energy: 2.3191800702797107
Energy: 2.41325755334521
Energy: 2.3263891713702054
Energy: 2.306435172632013
Energy: 2.2327040574389496
Energy: 2.2656316864304262
Energy: 2.2410406248825607
Energy: 2.1816589211624473
Energy: 2.373652854491611
Energy: 2.2324712720915763
Energy: 2.2781324916481798
Energy: 2.2333809814512504
Energy: 2.2701755110282824
Energy: 2.2096742182152007
Energy: 2.190582081792083
Energy: 2.236441459946607
Energy: 2.188033329512643
Energy: 2.1920127506859317
Energy: 2.2166093761463914
Energy: 2.2365479029960134
Energy: 2.232804400606341
Energy: 2.228282148159542
Energy: 2.190967522549242
Energy: 2.2361309154698974
Energy: 2.259242897189874
Energy: 2.0784001335216886
Energy: 2.070530232021563
Energy: 2.107786714306942
Energy: 2.126416522477414
Energy: 2.09674196733299
Energy: 2.0810933190020644
Energy: 2.1250086054719466
Energy: 2.1833997876712132
Energy: 2.184713916297594
Energy: 2.2605397804336036
Energy: 2.202737474880445
Energy: 2.1981261462989985
Energy: 2.2296635630126227
Energy: 2.1074671010463826
Energy: 2.1424507760550724
Energy: 2.040451340882745
Energy: 2.2873115536599986
Energy: 2.165643156924393
Energy: 2.1269209795530313
Energy: 2.2181100724461857
Energy: 2.2487309858241664
Energy: 2.112682582420398
Energy: 2.1683503322435262
Energy: 2.1467152351713406
Energy: 2.1447211424766266
Energy: 2.13035437150455
Energy: 2.143132787727041
Energy: 2.1925968054564615
Energy: 2.2347620874734413
Energy: 2.26372728359743
Energy: 2.3120393194601303
Energy: 2.2923219521666605
Energy: 2.2816081778019215
Energy: 2.22391300219326
Energy: 2.2950288958264267
Energy: 2.2511067215238207
Energy: 2.295244302414601
Energy: 2.2881706909404405
Energy: 2.2645558864181417
Energy: 2.1821301070436276
Energy: 2.266221749014711
Energy: 2.2655022521969763
Energy: 2.2368158740959316
Energy: 2.279063388199491
Energy: 2.240092151424819
Energy: 2.295134814708952
Energy: 2.089630412052556
Energy: 2.2858113887988303
Energy: 2.258232810382126
Energy: 2.305194337122109
Energy: 2.345806146987171
Energy: 2.3610863416041896
Energy: 2.3360239830930687
Energy: 2.4045595521958916
Energy: 2.2270165082310567
Energy: 2.3327696797766078
Energy: 2.269359546076819
Energy: 2.270323236429234
Energy: 2.24686255119121
Energy: 2.2590363078529956
Energy: 2.257863241073022
Energy: 2.2134069496600453
Energy: 2.143467474359679
Energy: 2.2361882606220056
Energy: 2.396491267485375
Energy: 2.156327656372477
Energy: 2.181119125155508
Energy: 2.2065467880979375
Energy: 2.2099562787712608
Energy: 2.166662916021918
Energy: 2.2087748030788243
Energy: 2.332720059943935
Energy: 2.2196094381681806
Energy: 2.1893387056727005
Energy: 2.225915290257175
Energy: 7.623136079070627
Energy: 2.2064758138465175

minimum gb energy = 1.9906091665295575 eV
minimum distance =  2.4411697215775 Angstroms
sigma value = 39


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

Energy: 2.5437048912630678
Energy: 2.21485889062962
Energy: 9.858067763124708
Energy: 2.18848266827478
Energy: 2.1877341027643413
Energy: 10.04156944060844
Energy: 2.320538902038132
Energy: 1.9253589978408507
Energy: 2.028773071084091
Energy: 2.0283895042633717
Energy: 2.0495004949853297
Energy: 2.0053515669416946
Energy: 2.0215688634192444
Energy: 2.0662449617230902
Energy: 2.0238267536546464
Energy: 2.030832537724098
Energy: 1.9707255576064389
Energy: 2.0260264105590986
Energy: 2.0273685459478865
Energy: 1.982164307438462
Energy: 2.0767669528723065
Energy: 2.1249778432964765
Energy: 1.846281505124202
Energy: 2.0492832928840827
Energy: 2.059615741644555
Energy: 1.9429266039178597
Energy: 1.8456512371456277
Energy: 2.0595645150599
Energy: 2.0830066121224124
Energy: 1.9888801558383633
Energy: 1.9775105308661725
Energy: 1.9917310289485657
Energy: 2.062630337394347
Energy: 1.9776943380035552
Energy: 1.961301782878425
Energy: 2.0582531704143583
Energy: 1.987275132324374
Energy: 1.954715814741201
Energy: 2.0018482819130408
Energy: 2.0349380119876916
Energy: 1.97866581474699
Energy: 1.9509408450838261
Energy: 2.0005231312627103
Energy: 2.0192082468199737
Energy: 1.9670081626012617
Energy: 1.9760719023356537
Energy: 1.9965014536120302
Energy: 1.9877128080969886
Energy: 1.9650324961534744
Energy: 1.9944924087884224
Energy: 2.0145236589623745
Energy: 2.053663792564
Energy: 1.9898924251210361
Energy: 2.0009934528493343
Energy: 2.028800725531078
Energy: 2.092287045063703
Energy: 2.1209254510659665
Energy: 2.129755672033637
Energy: 2.2365614511838645
Energy: 2.1107486465079357
Energy: 2.1308380063186934
Energy: 2.241070527828195
Energy: 2.13433536272738
Energy: 2.1098456898066336
Energy: 2.130496411421557
Energy: 2.238107346272378
Energy: 2.12163151532133
Energy: 2.129544853684838
Energy: 2.2596641255438414
Energy: 2.199435961493177
Energy: 1.9979613071935525
Energy: 2.0888718611795434
Energy: 2.0349205476325927
Energy: 2.0830717788327355
Energy: 2.104097127504497
Energy: 2.0858838393932944
Energy: 2.0703693969012336
Energy: 2.065776899986825
Energy: 1.9967354665042323
Energy: 1.9892160520848199
Energy: 2.0457300442303064
Energy: 2.0236809152920827
Energy: 2.069551995769153
Energy: 2.0728917593622467
Energy: 2.121524079686708
Energy: 2.181004937164601
Energy: 2.309298262911926
Energy: 2.200842638920692
Energy: 2.2377629197873214
Energy: 2.1999119263876072
Energy: 2.3122152876540287
Energy: 2.0240592367361967
Energy: 2.0435297147120286
Energy: 1.978562283484396
Energy: 2.027453784789671
Energy: 1.9699946932396566
Energy: 2.1510670522282593
Energy: 2.067469816273753
Energy: 2.076970775409227
Energy: 2.195802025485541
Energy: 2.238523359209254
Energy: 2.1557342334352914
Energy: 2.1165316276172037
Energy: 2.2598955921832786
Energy: 2.1173042600086704
Energy: 2.1869243641489646
Energy: 9.684389792579317
Energy: 9.804418420312686
Energy: 2.212899957066955
Energy: 2.190294119376468
Energy: 9.914875860198203
Energy: 2.1871334886800704
Energy: 2.024392611510639
Energy: 2.0288815898433743
Energy: 2.0282246791625558
Energy: 2.049216359531061
Energy: 2.0049618232457713
Energy: 2.025739541411479
Energy: 2.0660369724834835
Energy: 2.0194620605847553
Energy: 2.028954611826521
Energy: 1.9708970681491604
Energy: 2.026249777864084
Energy: 2.0237982097799323
Energy: 1.9760750733580077
Energy: 2.076437149229354
Energy: 2.1265297860683834
Energy: 1.846244460707991
Energy: 2.0516158069534343
Energy: 2.0596754610613797
Energy: 1.9428069766291172
Energy: 1.8455967773513244
Energy: 2.0594405185664573
Energy: 2.092979277860065
Energy: 1.9885671664588789
Energy: 1.9781090711275469
Energy: 1.9916007057005882
Energy: 2.063057910222811
Energy: 1.9773459644679392
Energy: 2.0060583181603002
Energy: 2.0610193820430225
Energy: 1.9870636922552436
Energy: 1.9548960664936785
Energy: 2.0017978747407756
Energy: 2.034913720251189
Energy: 1.97937084056111
Energy: 1.9519483239981512
Energy: 2.0005437124321035
Energy: 2.019236416312567
Energy: 1.9674677053482725
Energy: 1.979556485949571
Energy: 1.9967781653582548
Energy: 1.9875177031166764
Energy: 1.964505094854681
Energy: 1.9947182280981879
Energy: 2.0144482107195176
Energy: 2.032119781937924
Energy: 1.9897690308820843
Energy: 2.0013907980876033
Energy: 2.0305414529809256
Energy: 2.09611580135612
Energy: 2.118904965637776
Energy: 2.1297855231336658
Energy: 2.237037499705715
Energy: 2.110377221421699
Energy: 2.1311475253360452
Energy: 2.240665697009233
Energy: 2.134228599052936
Energy: 2.11018633379355
Energy: 2.12937067584216
Energy: 2.23898540563417
Energy: 2.121028539265195
Energy: 2.131184698483397
Energy: 2.2603233223295285
Energy: 2.19999732843239
Energy: 1.9980360730138398
Energy: 2.061109703483942
Energy: 2.0345932559593245
Energy: 2.079554151491265
Energy: 1.9988374252208838
Energy: 2.086203343312635
Energy: 2.069901484870114
Energy: 2.0651847629138205
Energy: 2.027990815825955
Energy: 1.9888502676775497
Energy: 2.046214715585689
Energy: 2.0237619360381824
Energy: 2.0710606429688214
Energy: 2.191130172810246
Energy: 2.1849191372943624
Energy: 2.1801207287220157
Energy: 2.3096085442507572
Energy: 2.1996713408366184
Energy: 2.2381596550922604
Energy: 2.1612922245135535
Energy: 2.31245150461956
Energy: 2.0245327008646985
Energy: 2.0434806056854926
Energy: 1.9797134921442203
Energy: 2.028194322419838
Energy: 1.9703522349771707
Energy: 2.150641110879741
Energy: 2.0681579994275006
Energy: 2.0769461768801274
Energy: 2.19570901903674
Energy: 2.237976824031974
Energy: 2.1556587003094982
Energy: 2.1171743380526737
Energy: 2.260174238933468
Energy: 2.1149962042529986

minimum gb energy = 1.8455967773513244 eV
minimum distance =  2.42857488632659 Angstroms
sigma value = 21


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

Energy: 2.8086178173315077
Energy: 1.9901416883708916
Energy: 9.85329803388692
Energy: 2.0889190902477854
Energy: 2.01007071622265
Energy: 9.868634808572
Energy: 2.1378718073837337
Energy: 1.8899112114492487
Energy: 1.8224701237910188
Energy: 1.9210956619395667
Energy: 1.7595454687984744
Energy: 1.7795279943147648
Energy: 1.8679270029418291
Energy: 1.934426402799555
Energy: 1.8427405487291222
Energy: 1.7747369576058643
Energy: 1.7798079878449613
Energy: 1.816330923479456
Energy: 1.939453982326161
Energy: 1.8408880787886588
Energy: 1.779559406983491
Energy: 1.922881297549575
Energy: 1.8333193704899386
Energy: 1.7073416053147683
Energy: 9.322110868041616
Energy: 1.8343397774183787
Energy: 1.707427036670377
Energy: 1.8827745202883646
Energy: 1.7745305737263242
Energy: 1.6985869953854429
Energy: 1.7796733401802929
Energy: 1.8333966213634918
Energy: 1.9236416538473031
Energy: 1.705705588097311
Energy: 1.7788562743192973
Energy: 1.7507946273313002
Energy: 1.749732577035728
Energy: 1.7711031544391804
Energy: 1.6963651590880027
Energy: 1.7387395827899932
Energy: 1.7473949832842408
Energy: 1.7716298175972875
Energy: 1.7607219356381738
Energy: 1.7741097236208567
Energy: 1.6501256284567816
Energy: 1.7382656983780005
Energy: 1.671579593401408
Energy: 1.7808426885159907
Energy: 1.7078978569729555
Energy: 1.670613164939401
Energy: 1.7179906551940918
Energy: 1.702813383214507
Energy: 1.670285692650249
Energy: 1.6708969169635384
Energy: 1.7734129181916085
Energy: 1.7677084862830248
Energy: 1.6703357658011524
Energy: 1.7133914292817767
Energy: 1.80946805422747
Energy: 1.669697566476407
Energy: 1.6713010433393807
Energy: 1.7149576633948753
Energy: 1.8098550526539883
Energy: 1.6112572114626849
Energy: 1.6134028813584638
Energy: 1.7862319994426759
Energy: 1.6124934300427358
Energy: 1.6103522852813288
Energy: 1.7837712212392898
Energy: 1.6108642385288445
Energy: 1.759476346530661
Energy: 1.7472141481941792
Energy: 1.7754903054660904
Energy: 1.7541608121693364
Energy: 1.7375927602164705
Energy: 1.7744928705246037
Energy: 1.7541716870454485
Energy: 1.813922092423507
Energy: 1.7887270813295812
Energy: 1.658840958741246
Energy: 1.7542069034839178
Energy: 1.790709021899866
Energy: 1.7314194946880628
Energy: 1.7773691938046605
Energy: 1.610197992923846
Energy: 1.6566698128514485
Energy: 1.6148108062512632
Energy: 1.6097041680987614
Energy: 1.7841378672291606
Energy: 1.6096016861906526
Energy: 1.6102323153751457
Energy: 1.7641954234974258
Energy: 1.6939479616355564
Energy: 1.611922956237006
Energy: 1.6527463009564547
Energy: 1.7209124871826542
Energy: 1.612108455286674
Energy: 1.6094924033054023
Energy: 1.8728033748955613
Energy: 1.7148203804653601
Energy: 1.6694879306693886
Energy: 1.669925963858228
Energy: 1.8279646914472243
Energy: 1.693391007567679
Energy: 1.6704150242850813
Energy: 1.7620382956882488
Energy: 1.828960381494012
Energy: 1.6709667830489465
Energy: 1.7369132458539285
Energy: 1.8407858409875524
Energy: 1.6725519372256066
Energy: 1.7392282383158881
Energy: 1.7616596307376426
Energy: 1.729789788203647
Energy: 1.6719089731039851
Energy: 1.692606042410298
Energy: 1.7696596268898575
Energy: 1.6995038526047486
Energy: 1.7608022433925075
Energy: 1.7788624607117673
Energy: 1.77469922111076
Energy: 1.8687514904975844
Energy: 1.7795518375865964
Energy: 1.7790899086517806
Energy: 1.7747617036410024
Energy: 1.7998093560340198
Energy: 1.883925228693503
Energy: 1.6987372416750701
Energy: 1.8480987507932432
Energy: 1.88415711822833
Energy: 1.7071124217782765
Energy: 1.7126988701778192
Energy: 2.017936659852582
Energy: 1.7789790029814352
Energy: 1.7747726046242172
Energy: 1.8612043928499935
Energy: 1.7799723399310567
Energy: 1.8821715628498499
Energy: 1.7983697964903553
Energy: 1.923691793367491
Energy: 1.7800941599561222
Energy: 1.7748726914778092
Energy: 1.9214964427907695
Energy: 1.9341301643069564
Energy: 1.7797294697344277
Energy: 1.7619047722567631
Energy: 1.8629703453821291
Energy: 1.9192758075967047
Energy: 1.7202964728725363
Energy: 2.0382846824878724
Energy: 1.9677062526896427
Energy: 1.7850490577659357
Energy: 1.726926794449582
Energy: 2.001658968604315
Energy: 1.9183378896951329
Energy: 1.740961620674028
Energy: 2.0029787328293
Energy: 2.0428580050779517
Energy: 1.7856930743346764
Energy: 1.7063697778713736
Energy: 2.0018096728434744
Energy: 1.934989782882949
Energy: 1.8210587670687715
Energy: 1.9230910131685455
Energy: 1.9342832319721612
Energy: 1.9210765747907539
Energy: 1.9605756302826929
Energy: 1.9356886787406915
Energy: 2.002062274549276
Energy: 1.951106000015787
Energy: 1.927544891566376
Energy: 1.8914418063288962
Energy: 2.0023278659162393
Energy: 1.8685719984877933
Energy: 1.971786369428497

minimum gb energy = 1.6094924033054023 eV
minimum distance =  2.50432538085562 Angstroms
sigma value = 113


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

Energy: 2.79240098316494
Energy: 1.5027871773315566
Energy: 7.582097877650695
Energy: 7.763582718595403
Energy: 1.8396953930904125
Energy: 7.002630443466944
Energy: 1.5015535410831937
Energy: 1.6216147769717626
Energy: 1.5676186621129755
Energy: 1.6345650381865233
Energy: 1.5930893525779322
Energy: 1.6088657275087335
Energy: 1.5759069283020675
Energy: 1.6081435997141718
Energy: 1.5840537577837097
Energy: 1.5692923698720331
Energy: 1.5973191552621595
Energy: 1.5955561019536526
Energy: 1.5507886106148823
Energy: 1.605977293691216
Energy: 1.580224016291495
Energy: 1.5052142572162852
Energy: 1.6580839466689576
Energy: 1.5693831435905934
Energy: 7.193721675637482
Energy: 1.5340219239355124
Energy: 1.5700774499317576
Energy: 1.5898481441892904
Energy: 1.4987382307265817
Energy: 1.5664522089413098
Energy: 1.557387407296768
Energy: 1.5750086348378798
Energy: 1.5579401786132374
Energy: 1.5690498619852975
Energy: 1.5624385928495053
Energy: 1.518724127173198
Energy: 1.56578614945267
Energy: 1.5780122130002916
Energy: 1.5433198370583943
Energy: 1.517469647732683
Energy: 1.5934179812980456
Energy: 1.5850567136199174
Energy: 1.5189787649912916
Energy: 1.7373142388612681
Energy: 1.5360715932460978
Energy: 1.5738233415254799
Energy: 1.5180357866872742
Energy: 1.5705072835589466
Energy: 1.5420075817972554
Energy: 1.5183423833909524
Energy: 1.6955196171411242
Energy: 1.5218408594934238
Energy: 1.4909082702611107
Energy: 1.5176212683411208
Energy: 1.5487013500160052
Energy: 1.5052748095127706
Energy: 1.5185225112139535
Energy: 1.5440151023162476
Energy: 1.544020102119562
Energy: 1.5135930936409305
Energy: 1.518391798100889
Energy: 1.5428273968754407
Energy: 1.5120406406087021
Energy: 1.4560581679416769
Energy: 1.496945045483303
Energy: 1.463679200652144
Energy: 1.5543904293431132
Energy: 1.4950497388684947
Energy: 1.5044010877191463
Energy: 1.5049186451243268
Energy: 1.493026227135802
Energy: 1.4753053531411784
Energy: 1.4841030694506245
Energy: 1.4926233294685898
Energy: 1.493583274867504
Energy: 1.4982785109296148
Energy: 1.509411031157786
Energy: 1.4913539882925386
Energy: 1.5181292581809878
Energy: 1.511660872410568
Energy: 1.4930174217496008
Energy: 1.5054616109896448
Energy: 1.491401640819342
Energy: 1.494999575747102
Energy: 1.5073118608788925
Energy: 1.4545519139948961
Energy: 1.43057717775385
Energy: 1.4561906972020835
Energy: 1.461769699193886
Energy: 1.460883932148659
Energy: 1.4492127301969289
Energy: 1.5031362257418042
Energy: 1.4153745590354716
Energy: 1.4260734866727482
Energy: 1.4212216802949456
Energy: 1.4930319384743453
Energy: 1.4406142310944767
Energy: 1.4256952122846158
Energy: 1.5245660740707982
Energy: 1.4744938266969663
Energy: 1.433518169888201
Energy: 1.4656888253232245
Energy: 1.4970083991382408
Energy: 1.4782084556737118
Energy: 1.4346047125716757
Energy: 1.3963333276224619
Energy: 1.480262302754176
Energy: 1.4228113829289224
Energy: 1.4370986443561264
Energy: 1.400431044222843
Energy: 1.4780807866567205
Energy: 1.469949981268153
Energy: 1.4065586562267725
Energy: 1.4557655891974313
Energy: 1.4135353397329855
Energy: 1.430851628844606
Energy: 1.4183225591617497
Energy: 1.434639092759537
Energy: 1.423152623519751
Energy: 1.413166393387322
Energy: 1.4756306923661064
Energy: 1.5130581252109878
Energy: 1.4095359288104106
Energy: 1.4062944576187213
Energy: 1.4678365362563697
Energy: 1.4895358535851555
Energy: 1.4062654193552986
Energy: 1.45755763162524
Energy: 1.5166798289962964
Energy: 1.404525060168076
Energy: 1.4106229189323245
Energy: 1.457084632552498
Energy: 1.5032893872130058
Energy: 1.372278541277089
Energy: 1.3960378352350744
Energy: 1.4240782735321862
Energy: 1.3699069465853244
Energy: 1.3849396319966518
Energy: 1.444608011991318
Energy: 1.4944935613657186
Energy: 1.457293466240058
Energy: 1.4807786870748454
Energy: 1.4937038874488235
Energy: 1.4508863883145862
Energy: 1.4542443999142902
Energy: 1.4917602935218846
Energy: 1.4645146065615842
Energy: 1.4775314109478295
Energy: 1.4837140535748925
Energy: 1.412729434029751
Energy: 1.47174499066048
Energy: 1.4615919930650745
Energy: 1.452340975075122
Energy: 1.4688097452200588
Energy: 1.4434175656229011
Energy: 1.4249085574377276
Energy: 1.3809591986335787
Energy: 1.3689315868850611
Energy: 1.4151219549053342
Energy: 1.396594082794558
Energy: 1.3742648785602398
Energy: 1.5138268150820893
Energy: 1.4583591461014584
Energy: 1.4047443381753608
Energy: 1.4384182489628563
Energy: 1.485778860081148
Energy: 1.4502247894406044
Energy: 1.405903924344831
Energy: 1.5390906645841995
Energy: 1.4880391200613017
Energy: 1.430891507991902
Energy: 1.462960177707144
Energy: 1.5140524380442837
Energy: 1.4972231405475784
Energy: 1.4129307294140583
Energy: 1.433859022842909
Energy: 1.4289199252621745
Energy: 1.4149538591678
Energy: 1.4059886017514498
Energy: 1.4638327091572583
Energy: 1.481835654695398
Energy: 1.4626703446138947
Energy: 1.4571817572992554
Energy: 1.4317895374657719
Energy: 1.4071124296143884
Energy: 1.4279392292019406
Energy: 1.4459957701366428
Energy: 1.4294847738206875
Energy: 1.4445184686804224
Energy: 1.4343290090491747
Energy: 1.4900580791069333
Energy: 1.5207124634492912
Energy: 1.4329805540011873
Energy: 1.4322475909464565
Energy: 1.4775363801052195
Energy: 1.5169876587728996
Energy: 1.4258370526018276
Energy: 1.4522230540015724
Energy: 1.4661527078217478
Energy: 1.4208027702785782
Energy: 1.4413187830232088
Energy: 1.454033503226749
Energy: 1.457468543447614
Energy: 1.4254070513913788
Energy: 1.445179608007779
Energy: 1.5658845647888326
Energy: 1.42263421384448
Energy: 1.4387719147560398
Energy: 1.4873137874845437
Energy: 1.5146530540272982
Energy: 1.5074037622892107
Energy: 1.492419235594957
Energy: 1.5366509813465135
Energy: 1.5097949895412452
Energy: 1.4753653705511212
Energy: 1.5178840671769194
Energy: 1.5040889305353158
Energy: 1.4937419889172379
Energy: 1.4652135513539017
Energy: 1.4936683164738707
Energy: 1.5165731543698808
Energy: 1.4757248476077889
Energy: 1.477654441561288
Energy: 1.4928558867537267
Energy: 1.5067515078060685
Energy: 1.5068391539035286
Energy: 1.5016993828844796
Energy: 1.574167767433444
Energy: 1.5091461193874232
Energy: 1.4987579294103284
Energy: 1.4912466974052259
Energy: 1.5631469770642012
Energy: 1.5441050081289556
Energy: 1.5244139939351993
Energy: 1.5804351265458763
Energy: 1.5498423913487411
Energy: 1.5477848176989752
Energy: 1.522762978728811
Energy: 1.4861595218533405
Energy: 1.54794540350719
Energy: 1.499652563996075
Energy: 1.517226604158788
Energy: 1.5212405981579908
Energy: 1.562002322277935
Energy: 1.5278935349657918
Energy: 1.5037533359890205
Energy: 1.5673631408992048
Energy: 1.4998525777950902
Energy: 1.5082119024650669
Energy: 1.5526238711625568
Energy: 1.5853646005725057
Energy: 1.5176197195243468
Energy: 1.5936338134112882
Energy: 1.5615320899924903
Energy: 1.5201096097341047
Energy: 1.622574783788154
Energy: 1.6014342731904299
Energy: 1.544889250093902
Energy: 1.5302014090617562
Energy: 1.5902630727996268
Energy: 1.5609637380814614
Energy: 1.5598452194969947
Energy: 1.6071293457867715
Energy: 1.5843420159620905
Energy: 1.5600373888325403
Energy: 1.543617630317599
Energy: 1.5913870159365482
Energy: 1.7131450760766742
Energy: 1.5012360582175155
Energy: 1.5818325774849336
Energy: 1.5699411849172271
Energy: 1.502608435111805
Energy: 1.7563490176437453
Energy: 1.593430450635262
Energy: 1.5760575417425515
Energy: 1.634992463137721
Energy: 1.5864293028616974
Energy: 1.5908115445883688
Energy: 1.5883658000497092
Energy: 1.610341260423044
Energy: 1.5959654995997277
Energy: 1.565921466387804
Energy: 1.6074131271779868
Energy: 1.5838786819219006
Energy: 1.5970447550161526
Energy: 1.6019474422791873
Energy: 1.6242050769635652
Energy: 11.129004118230847
Energy: 1.7838006251110474
Energy: 1.6187695738351104
Energy: 7.177763661852069
Energy: 7.545681030150746
Energy: 1.5617994175382321
Energy: 7.573958728760857
Energy: 1.6324170032928795
Energy: 1.5759190706995698
Energy: 1.5945172989917522
Energy: 1.584329122897065
Energy: 1.59670926713592
Energy: 1.6140696515180102
Energy: 1.5538335564970016
Energy: 1.5772256914770773
Energy: 1.5782075289485662
Energy: 1.6349734330351502
Energy: 1.5832441132949002
Energy: 1.578151566708956
Energy: 1.591142145717206
Energy: 1.6105776524179203
Energy: 1.6454281237315718
Energy: 6.783462369594195
Energy: 1.549235131563931
Energy: 1.6182869580170074
Energy: 1.6216322604978561
Energy: 6.701054689289113
Energy: 1.5016482734317076

minimum gb energy = 1.3689315868850611 eV
minimum distance =  2.50310416764947 Angstroms
sigma value = 365


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

Energy: 30.46549706420312
Energy: 17.396110663314065
Energy: 17.323276730424908
Energy: 17.482642726870086
Energy: 17.484552241569713
Energy: 17.358475882720434
Energy: 17.27571251857682
Energy: 1.4856452349063847
Energy: 19.624375279435668
Energy: 26.433109387719817
Energy: 0.5506174019919576
Energy: 0.5509286568942197
Energy: 24.923837647822214
Energy: 28.31079845645883
Energy: 28.825743972304085
Energy: 10.864321282962218
Energy: 11.324280459526051
Energy: 0.5517051779299903
Energy: 0.612001529021033
Energy: 0.5511678669514624
Energy: 10.090982699206076
Energy: 30.28792029860208
Energy: 21.415541812157922
Energy: 17.394017889484694
Energy: 17.352473010344212
Energy: 17.426716262490107
Energy: 17.26786542621958
Energy: 17.413397713810166
Energy: 1.7056444154628212
Energy: 1.7051542791362595
Energy: 1.7555325242754145
Energy: 1.752833527503152
Energy: 1.7989975809338845
Energy: 14.614023149256257
Energy: 14.460848303090998
Energy: 11.158887229864465
Energy: 0.550352322434017
Energy: 0.5511620435264474
Energy: 35.7613810739806
Energy: 11.569395034957706
Energy: 13.541150006613078
Energy: 0.5506951875491773
Energy: 1.7077549326799606
Energy: 14.647869142939546
Energy: 1.8039698386115648
Energy: 2.0488547631543548
Energy: 17.45854808340744
Energy: 1.7985394088627409
Energy: 1.7063207729122196
Energy: 1.7151045411452956
Energy: 1.7069647809437303
Energy: 1.8446789715662826
Energy: 17.494711556488777
Energy: 17.43769451297033
Energy: 1.8119720493655564
Energy: 14.570637520057996
Energy: 1.0572179145436993
Energy: 0.5506704942510262
Energy: 0.5505732705221894
Energy: 13.043579524559746
Energy: 21.534300974952075
Energy: 13.627137297373661
Energy: 0.5506280084401263
Energy: 1.7067607593459806
Energy: 1.7099247571792004
Energy: 15.05445585037082
Energy: 14.55655383570705
Energy: 1.752057338158743
Energy: 1.6907620938230912
Energy: 1.706102513181901
Energy: 30.38957012644136
Energy: 30.400309420185287
Energy: 17.35400832056876
Energy: 17.443098777566554
Energy: 17.403104846513013
Energy: 17.366009197656133
Energy: 17.356043431132893
Energy: 26.157014676242945
Energy: 28.68326726046616
Energy: 8.994451697168293
Energy: 0.5509297572495234
Energy: 0.5524166827799624
Energy: 0.5505579849677307
Energy: 28.248343895771704
Energy: 28.78755412256603
Energy: 17.352067433166027
Energy: 26.436225106596194
Energy: 0.5504946113666216
Energy: 0.5514081368914794
Energy: 26.462448856808432
Energy: 19.612404235826407
Energy: 30.405008850567263
Energy: 30.431665415908604
Energy: 17.311612401737424
Energy: 17.415158338103435
Energy: 17.44587856966775
Energy: 17.317747412883936
Energy: 17.380071678123752
Energy: 1.706965514543824
Energy: 1.7062320353223244
Energy: 1.6922868582805362
Energy: 7.439733743903302
Energy: 5.035126305852525
Energy: 27.23779946548474
Energy: 3.8766593341158564
Energy: 9.158950457167066
Energy: 0.6462869926431206
Energy: 0.5503661760610569
Energy: 0.5515236707103095
Energy: 11.592287170687436
Energy: 14.200297692000698
Energy: 1.120477865014644
Energy: 30.544115448869512
Energy: 18.07176362934311
Energy: 17.433904292583055
Energy: 17.39551739738786
Energy: 17.327745179541786
Energy: 17.388524728868212
Energy: 17.415769972370015
Energy: 1.7060496935779534
Energy: 1.7083226283197637
Energy: 1.6918632403866372
Energy: 1.800398842860117
Energy: 1.7996631820667501
Energy: 14.557255641293128
Energy: 14.655664609639073
Energy: 11.379813990827017
Energy: 0.5506230633096958
Energy: 0.5509261764951501
Energy: 0.5520833293845477
Energy: 0.5538680907752112
Energy: 10.924127125740332
Energy: 0.550730585101078
Energy: 1.7057298371448033
Energy: 14.759439892246258
Energy: 14.69033109282428
Energy: 1.8001911489671547
Energy: 17.5448545888909
Energy: 1.7994158044143125
Energy: 1.706022460665232

minimum gb energy = 0.550352322434017 eV
minimum distance =  2.61282060955447 Angstroms
sigma value = 23