Model name: model_name=EAM_Dynamo_MishinMehlPapaconstantopoulos_2002_NiAl__MO_109933561507_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.452464193105698
cohesive_energy=4.501689179231084
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 2.47646694817583e-12 eV

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

Energy: 0.019113954110263592
Energy: 0.019344968392698045
Energy: 1.4486679675331733
Energy: 0.019344968393347504
Energy: 0.019344968392698045
Energy: 0.9055770095135638
Energy: 0.019344968392698045
Energy: 0.9055770095129144
Energy: 1.4486679675331733
Energy: 0.019344968392698045
Energy: 0.019113954110263592
Energy: 0.019344968392698045
Energy: 0.019344968392698045
Energy: 0.9055770095135638
Energy: 0.019344968392698045
Energy: 0.9055770095129144

minimum gb energy = 0.019113954110263592 eV
minimum distance =  2.36170235750176 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.100095359011243
Energy: 1.1338374421495416
Energy: 1.1859447201460265
Energy: 1.1338374421528776
Energy: 1.1119483588156491
Energy: 1.1462574454423766
Energy: 1.0747608340044796
Energy: 1.1462574454407088
Energy: 1.0702999104517796
Energy: 1.116309280877884
Energy: 1.0658858770384827
Energy: 1.11630928087705
Energy: 1.0891917385086265
Energy: 1.1006738063296821
Energy: 1.0702839443090257
Energy: 1.100673806326346
Energy: 1.086147219725203
Energy: 1.141243111737433
Energy: 1.0989374152814944
Energy: 1.141243111742437
Energy: 1.0790609411826289
Energy: 1.251309889318652
Energy: 1.0261133836932812
Energy: 1.251309889318652
Energy: 1.1330783849050057
Energy: 1.1443701395630486
Energy: 1.150331010421276
Energy: 1.1443701395672183
Energy: 1.07055604591386
Energy: 1.1408287595735884
Energy: 1.0425078454045251
Energy: 1.1408287595727544
Energy: 1.0667187134643479
Energy: 1.083132382434716
Energy: 1.1307840893130225
Energy: 1.083132382430546
Energy: 1.0299433267887845
Energy: 1.114628430149129
Energy: 1.0878081357269624
Energy: 1.1146284301507967
Energy: 1.1258558214571426
Energy: 1.1469918439494615
Energy: 1.0678140778818042
Energy: 1.1469918439519635
Energy: 1.100098751005967
Energy: 1.1423442980028433
Energy: 1.0426498323561093
Energy: 1.1423442980045113
Energy: 1.1059641210582412
Energy: 1.145329722069577
Energy: 1.1323920134546805
Energy: 1.1453297220679093
Energy: 1.090030913149936
Energy: 1.1121295953107229
Energy: 1.0504337299809934
Energy: 1.1121295953107229
Energy: 1.0979913992914272
Energy: 1.1360607741982356
Energy: 1.1099372143812143
Energy: 1.1360607741965676
Energy: 1.0976314264924178
Energy: 1.1357572458036846
Energy: 1.1090821358885277
Energy: 1.1357572457978466
Energy: 1.0653810097847738
Energy: 1.1136555354992848
Energy: 1.0695160437925806
Energy: 1.1136555354984505
Energy: 1.0746671668716636
Energy: 1.1267704421388989
Energy: 1.1336496871342838
Energy: 1.1267704421397329
Energy: 1.1432926095935394
Energy: 1.1388424053521067
Energy: 1.0394602010481295
Energy: 1.1388424053554427
Energy: 1.134179681016851
Energy: 1.072670893574931
Energy: 1.0706523099132488
Energy: 1.072670893578267
Energy: 1.0351232775516055
Energy: 1.1153188682196662
Energy: 1.0520051815471343
Energy: 1.1153188682188322
Energy: 1.0660479536799041
Energy: 1.0989620467326449
Energy: 1.1170506605382735
Energy: 1.0989620467318109
Energy: 1.1001040594958342
Energy: 1.139619135319936
Energy: 1.1141302051812016
Energy: 1.139619135319936
Energy: 1.0840999125606432
Energy: 1.1149654124655188
Energy: 1.1561340055083942
Energy: 1.1149654124663528
Energy: 1.0832160443372092
Energy: 1.1222785903229495
Energy: 1.1285488194924278
Energy: 1.1222785903254515
Energy: 1.0807525747886628
Energy: 1.1402630731164254
Energy: 1.0684760478724473
Energy: 1.1402630731172594
Energy: 1.1041070075640655
Energy: 1.107958480147608
Energy: 1.0668306997467325
Energy: 1.1079584801517777
Energy: 1.0868139646048738
Energy: 1.1112978844981312
Energy: 1.063341853942532
Energy: 1.1112978844939612
Energy: 1.1107231023824693
Energy: 1.1459926810212857
Energy: 1.0932726618365625
Energy: 1.1459926810246217
Energy: 1.1008789091819666
Energy: 1.1363321913644386
Energy: 1.1054507137801197
Energy: 1.1363321913627709
Energy: 1.0938391693612135
Energy: 1.1575771408637914
Energy: 1.1057962518245885
Energy: 1.1575771408612896
Energy: 1.0786165040640077
Energy: 1.1102094189592964
Energy: 1.0900907721789679
Energy: 1.1102094189601304
Energy: 1.0854462649990577
Energy: 1.1017795367266718
Energy: 1.0704140116184426
Energy: 1.101779536718332

minimum gb energy = 1.0261133836932812 eV
minimum distance =  2.15736576900187 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.1191568216720147
Energy: 1.1402904869477166
Energy: 1.209927289225411
Energy: 1.140290486953422
Energy: 1.1098440201597537
Energy: 1.175903465244674
Energy: 1.0865485149425727
Energy: 1.1759034652418217
Energy: 1.095264282329155
Energy: 1.1209741875003398
Energy: 1.1021836233975393
Energy: 1.1209741875041437
Energy: 1.0337560642430992
Energy: 1.0727992524785697
Energy: 1.0931342650757627
Energy: 1.0727992524728642
Energy: 1.0338232647857821
Energy: 1.0940575495196538
Energy: 1.1329310608337226
Energy: 1.0940575494055902
Energy: 1.080990599206674
Energy: 1.1197444088939479
Energy: 1.0546718934913855
Energy: 1.119744408891095
Energy: 1.1001499230790426
Energy: 1.0715670543151923
Energy: 1.0827491371999718
Energy: 1.071567054317094
Energy: 1.087878712345175
Energy: 1.1203029468616832
Energy: 1.0546847299882391
Energy: 1.1203029468597814
Energy: 1.0580116927402017
Energy: 1.1182936748645214
Energy: 1.0866302471596894
Energy: 1.1182936748616685
Energy: 1.0330461948888598
Energy: 1.1207532242034948
Energy: 1.1578993881184028
Energy: 1.1207532242082492
Energy: 1.1005200878513426
Energy: 1.1042946969085592
Energy: 1.0973198128986577
Energy: 1.1042946969047556
Energy: 1.0671247441547338
Energy: 1.159270423331454
Energy: 1.1022775291547022
Energy: 1.159270423330503
Energy: 1.1477751167446315
Energy: 1.12666602336951
Energy: 1.0618041232818154
Energy: 1.126666023373314
Energy: 1.1477650733994755
Energy: 1.1261984325596592
Energy: 1.1321685409153703
Energy: 1.1261984325568064
Energy: 1.0667370984236941
Energy: 1.1593296458429256
Energy: 1.0784788104467864
Energy: 1.1593296458438764
Energy: 1.1000821503445315
Energy: 1.1043389701380237
Energy: 1.0725238823248744
Energy: 1.1043389701314108
Energy: 1.0330428383020043
Energy: 1.1204098305758845
Energy: 1.1561701992979319
Energy: 1.1204098305749335
Energy: 1.0577211941648639
Energy: 1.1181692279474928
Energy: 1.0866497425613406
Energy: 1.1181692279493944
Energy: 1.0878904302750239
Energy: 1.1204603352662095
Energy: 1.054457955999344
Energy: 1.1204603352747673
Energy: 1.100133473751696
Energy: 1.0714622816305837
Energy: 1.0930221795522956
Energy: 1.0714622816324852
Energy: 1.0808951039936068
Energy: 1.1191542577871296
Energy: 1.0645874306659875
Energy: 1.1191542577861788
Energy: 1.0338410986897686
Energy: 1.09385909743017
Energy: 1.1085166598383769
Energy: 1.0938590974339737
Energy: 1.0336741357588959
Energy: 1.0727883000193734
Energy: 1.071207570704029
Energy: 1.0727883000203242
Energy: 1.0955631168252822
Energy: 1.1207596002772628
Energy: 1.0786064823325543
Energy: 1.120759600276312
Energy: 1.109953657566004
Energy: 1.175860696740619
Energy: 1.0863776612584184
Energy: 1.175860696738717
Energy: 1.1191568216710637
Energy: 1.1402904869486676
Energy: 1.2484718621541924
Energy: 1.1402904869543729
Energy: 1.1098440201597537
Energy: 1.175903465245625
Energy: 1.0865485149416216
Energy: 1.1759034652418217
Energy: 1.0952642823282042
Energy: 1.120974187499389
Energy: 1.1021836233975393
Energy: 1.1209741875012909
Energy: 1.0337560642430992
Energy: 1.0727992524785697
Energy: 1.08295219249157
Energy: 1.0727992524738152

minimum gb energy = 1.0330428383020043 eV
minimum distance =  2.18113072530504 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.101382986903841
Energy: 1.19536367069023
Energy: 1.2417241888472172
Energy: 1.1953636706891246
Energy: 1.1395816380947794
Energy: 1.1631046492151695
Energy: 1.0424598199094917
Energy: 1.1631046492151695
Energy: 1.1421135289447006
Energy: 1.2706044932758593
Energy: 1.0456476910398707
Energy: 1.2706044932747538
Energy: 1.0497812470847017
Energy: 1.0886134948797763
Energy: 1.0837621743838897
Energy: 1.0886134948808817
Energy: 1.0826463380575702
Energy: 1.0558923849565909
Energy: 1.136401960385967
Energy: 1.0558923844936343
Energy: 1.0893181820539206
Energy: 1.2732127192103584
Energy: 1.1388244760051178
Energy: 1.2732127192103584
Energy: 1.1357218427086315
Energy: 1.0604110143966405
Energy: 1.1324608665585476
Energy: 1.0604110143966405
Energy: 1.1830330820786388
Energy: 1.2021376525025325
Energy: 1.075567864887428
Energy: 1.2021376525014273
Energy: 1.1319542926571708
Energy: 1.1284924143257253
Energy: 1.135499219154968
Energy: 1.1284924143389898
Energy: 1.0444448329040656
Energy: 1.2711348418617805
Energy: 1.067692372702811
Energy: 1.271134841860675
Energy: 1.1357248014352468
Energy: 1.0428743490291277
Energy: 1.0423305001077892
Energy: 1.0428743490468138
Energy: 1.1385349785857435
Energy: 1.2008351841070914
Energy: 1.0428979321707477
Energy: 1.2008351841037754
Energy: 1.0456521394807767
Energy: 1.1454878146167078
Energy: 1.072108390974381
Energy: 1.1454878146178131
Energy: 1.133352090129635
Energy: 1.1855257749700956
Energy: 1.13548069853761
Energy: 1.1855257749734118
Energy: 1.1606572440564804
Energy: 1.2059349652003801
Energy: 1.072519464075275
Energy: 1.205934965202591
Energy: 1.1355706747873153
Energy: 1.0637799590236157
Energy: 1.0800434740581366
Energy: 1.0637799590225103
Energy: 1.0802247591851295
Energy: 1.2749759754743681
Energy: 1.0800385523413771
Energy: 1.2749759754743681
Energy: 1.0838176127789916
Energy: 1.0564378015930052
Energy: 1.1365321746134756
Energy: 1.0564378015466291
Energy: 1.049060351841102
Energy: 1.084934301161325
Energy: 1.0823216764690127
Energy: 1.0849343011602195
Energy: 1.138323220834999
Energy: 1.2739369790111978
Energy: 1.0442661145710126
Energy: 1.2739369790100925
Energy: 1.086237914647351
Energy: 1.179040416080712
Energy: 1.042928379946974
Energy: 1.1790404160785013
Energy: 1.1034643056851074
Energy: 1.1967188641590965
Energy: 1.1316070825640954
Energy: 1.1967188641590965
Energy: 1.142326842031878
Energy: 1.1435701301667427
Energy: 1.042190453451708
Energy: 1.1435701301634267
Energy: 1.0915502921360711
Energy: 1.2694599767500654
Energy: 1.0444132795075116
Energy: 1.2694599767489598
Energy: 1.0455615724091096
Energy: 1.0843766754712243
Energy: 1.080603695998218
Energy: 1.0843766754723296

minimum gb energy = 1.042190453451708 eV
minimum distance =  2.18943541598941 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.1696388342456976
Energy: 1.1709170668761324
Energy: 1.3171636733338759
Energy: 1.1709170668761324
Energy: 1.1793893366334178
Energy: 1.2019906239221476
Energy: 1.0723240945992247
Energy: 1.2019906239221476
Energy: 1.0737508500224229
Energy: 1.092074274808951
Energy: 1.1382890560571828
Energy: 1.0920742748102696
Energy: 1.077618166268353
Energy: 1.301307334765479
Energy: 1.0850640601224553
Energy: 1.3013073347641604
Energy: 1.1040873182637942
Energy: 1.1771751777761197
Energy: 1.068817089563949
Energy: 1.177175177778757
Energy: 1.0680188479870056
Energy: 1.0928708315884494
Energy: 1.1257913576525833
Energy: 1.0928708315871307
Energy: 1.1039143942837943
Energy: 1.0842696020872624
Energy: 1.0834833912031931
Energy: 1.084269602085944
Energy: 1.1259330830510692
Energy: 1.0923983398668857
Energy: 1.1079311867688924
Energy: 1.0923983398668857
Energy: 1.0995111197458853
Energy: 1.1755509107640547
Energy: 1.1614710939029624
Energy: 1.175550910762736
Energy: 1.0897453426479289
Energy: 1.1707956314971175
Energy: 1.0865397490293869
Energy: 1.17079563149448
Energy: 1.0855397548173593
Energy: 1.2280576825583582
Energy: 1.1320594778131257
Energy: 1.2280576825570397
Energy: 1.1026868254498874
Energy: 1.1974124346171073
Energy: 1.1278062975575638
Energy: 1.1974124346171073
Energy: 1.0675624516505466
Energy: 1.1212750070249724
Energy: 1.1259332251462018
Energy: 1.1212750070249724
Energy: 1.1965639179901892
Energy: 1.1297953789638626
Energy: 1.102424961454169
Energy: 1.1297953789651813
Energy: 1.0676535579302122
Energy: 1.0920498732313941
Energy: 1.1319098573709354
Energy: 1.0920498732274382
Energy: 1.102148040144664
Energy: 1.2149558158015814
Energy: 1.0843334467449048
Energy: 1.2149558158015814
Energy: 1.1053596152835754
Energy: 1.1658706958445926
Energy: 1.1422971448947383
Energy: 1.1658706958393181
Energy: 1.170449009609876
Energy: 1.1753946783156064
Energy: 1.1308237556278373
Energy: 1.1753946783142877
Energy: 1.1052050893884788
Energy: 1.1967216877950286
Energy: 1.0714812026142966
Energy: 1.1967216877950286
Energy: 1.1626614557979063
Energy: 1.091573149439206
Energy: 1.107741299778041
Energy: 1.0915731494365688
Energy: 1.103876491514892
Energy: 1.1285877530524533
Energy: 1.1272157371663425
Energy: 1.128587753053772

minimum gb energy = 1.0675624516505466 eV
minimum distance =  2.21574924629283 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.1052122344158652
Energy: 1.1744188527585673
Energy: 1.3022172279570885
Energy: 1.174418852760198
Energy: 1.0523401733872866
Energy: 1.2048993466152413
Energy: 1.0243167903890533
Energy: 1.2048993466168354
Energy: 1.0246858215697647
Energy: 1.183029897872651
Energy: 1.0258866700677556
Energy: 1.1830298978742817
Energy: 1.1082905723301704
Energy: 1.0492132831879497
Energy: 1.1201092752004025
Energy: 1.0492132831863188
Energy: 1.1146247281529031
Energy: 1.057592019046002
Energy: 1.024435430254113
Energy: 1.0575920190476327
Energy: 1.0258303673978686
Energy: 1.3052946929162608
Energy: 1.0254185892031917
Energy: 1.3052946929162608
Energy: 1.0247821826805807
Energy: 1.126218723322948
Energy: 1.0248069101669377
Energy: 1.126218723322948
Energy: 1.0953925807727012
Energy: 1.1771318502779033
Energy: 1.1083049649061032
Energy: 1.1771318502779033
Energy: 1.0261204150657293
Energy: 1.204115195057932
Energy: 1.0529088053353515
Energy: 1.204115195057932
Energy: 1.1515778032411301
Energy: 1.258610244893318
Energy: 1.0275038740862374
Energy: 1.258610244893318
Energy: 1.1174390675848886
Energy: 1.2076662839595471
Energy: 1.1861464632216772
Energy: 1.2076662839579164
Energy: 1.0243851968114097
Energy: 1.1166831175131007
Energy: 1.154349975394387
Energy: 1.11668311751147
Energy: 1.1328599199530223
Energy: 1.2542860752303484
Energy: 1.0239704840248802
Energy: 1.254286075231979
Energy: 1.0244243714278984
Energy: 1.1279841573377236
Energy: 1.1063911131876614
Energy: 1.1279841573377236
Energy: 1.0247635518208142
Energy: 1.207259489855956
Energy: 1.0953734900131928
Energy: 1.207259489855956
Energy: 1.0534441383529003
Energy: 1.1165811915243782
Energy: 1.0258412767803107
Energy: 1.116581191517855
Energy: 1.0253935039440751
Energy: 1.1521293156596193
Energy: 1.1506379997807048
Energy: 1.1521293156596193

minimum gb energy = 1.0239704840248802 eV
minimum distance =  2.25674169873505 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.156716899814451
Energy: 1.158733318855243
Energy: 1.3271153533074864
Energy: 1.1587333188543194
Energy: 1.122522297253709
Energy: 1.1687587260269237
Energy: 1.0686377607600896
Energy: 1.168758726026
Energy: 1.1146759583563792
Energy: 1.1833467832588729
Energy: 1.0696562417202702
Energy: 1.183346783249637
Energy: 1.0723703638821855
Energy: 1.2023842031097103
Energy: 1.1246270389632422
Energy: 1.2023842031097103
Energy: 1.1617893099163519
Energy: 1.17539341541085
Energy: 1.139682410934943
Energy: 1.1753934154099261
Energy: 1.1020112287395196
Energy: 1.1322416713033776
Energy: 1.138266225208789
Energy: 1.1322416713033776
Energy: 1.07817618263209
Energy: 1.2041421472786975
Energy: 1.0737392512251962
Energy: 1.2041421472786975
Energy: 1.1392894733898375
Energy: 1.1299290234411168
Energy: 1.1107656992450536
Energy: 1.1299290234438875
Energy: 1.1040429624598032
Energy: 1.2559428356485745
Energy: 1.1620366942674014
Energy: 1.2559428356504214
Energy: 1.1939993920783778
Energy: 1.1837994481178147
Energy: 1.0709215564557764
Energy: 1.1837994481159673
Energy: 1.082510258716987
Energy: 1.2021808153998783
Energy: 1.11924681804386
Energy: 1.2021808153980311
Energy: 1.101509108688595
Energy: 1.2009326099061746
Energy: 1.102253310289086
Energy: 1.2009326099070983
Energy: 1.2187042563766637
Energy: 1.159115748479063
Energy: 1.1605248739431766
Energy: 1.1591157484781394
Energy: 1.088986081520381
Energy: 1.2865440564088215
Energy: 1.1241674915311441
Energy: 1.2865440564097455
Energy: 1.1443202713511247
Energy: 1.2065693682867273
Energy: 1.1041607092944945
Energy: 1.2065693682876508
Energy: 1.116659643027306
Energy: 1.1311281321682753
Energy: 1.1399390763083537
Energy: 1.1311281321682753
Energy: 1.0686311841583327
Energy: 1.1948939122347384
Energy: 1.231642176358985
Energy: 1.1948939122356619
Energy: 1.1722518766189078
Energy: 1.1424678374190016
Energy: 1.1020124588637368
Energy: 1.1424678374171546
Energy: 1.070363313698401
Energy: 1.2073954519712133
Energy: 1.1683504806480802
Energy: 1.2073954519721368
Energy: 1.072497137683553
Energy: 1.2042973963040347
Energy: 1.0728940599374
Energy: 1.2042973962975694
Energy: 1.0955375457983587
Energy: 1.1828645710497927
Energy: 1.1134896161849517
Energy: 1.1828645710497927
Energy: 1.0677789829073026
Energy: 1.3177437469201703
Energy: 1.191878438174005
Energy: 1.3177437469201703
Energy: 1.1877681539618095
Energy: 1.201965432294591
Energy: 1.0765873041103768
Energy: 1.2019654322955147
Energy: 1.0989549240149588
Energy: 1.2046389592654556
Energy: 1.1159293153038903
Energy: 1.2046389592654556
Energy: 1.0990029917208175
Energy: 1.1835121578538617
Energy: 1.1693586478705789
Energy: 1.1835121578538617
Energy: 1.1759001590090945
Energy: 1.2019085445780735
Energy: 1.0777660470315746
Energy: 1.2019085445799207
Energy: 1.1273443812598076
Energy: 1.3399622020433428
Energy: 1.238889041217275
Energy: 1.3399622020451902
Energy: 1.1381966942185024
Energy: 1.1353855874383754
Energy: 1.1153808118098163
Energy: 1.1353855874383754
Energy: 1.2266488576726355
Energy: 1.2507255473711263
Energy: 1.0838470935856286
Energy: 1.2507255473729735
Energy: 1.1106590145494528
Energy: 1.2296513875378718
Energy: 1.1746145812505313
Energy: 1.2296513875360242

minimum gb energy = 1.0677789829073026 eV
minimum distance =  2.16642497312464 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.9580875851906897
Energy: 0.9585210831951496
Energy: 1.274500416024945
Energy: 0.9585210831994022
Energy: 1.1147716186436487
Energy: 1.076187252952943
Energy: 1.1181378826177115
Energy: 1.0761872529465644
Energy: 0.9593331463967402
Energy: 0.9578912047483698
Energy: 1.1102549614066275
Energy: 0.9578912047483698
Energy: 0.9590770711151017
Energy: 0.9580079236095945
Energy: 1.187749812153108
Energy: 0.958007923613847
Energy: 1.1147575647995323
Energy: 1.0762277136820846
Energy: 1.0514442838957512
Energy: 1.0762277136778322
Energy: 0.9580875851885634
Energy: 0.9585210831972759
Energy: 1.3374891770521573
Energy: 0.9585210831972759
Energy: 1.1147716186436487
Energy: 1.0761872529550693
Energy: 1.1181378826177115
Energy: 1.0761872529465644
Energy: 0.9593331463967402
Energy: 0.9578912047483698
Energy: 1.1148438476163824
Energy: 0.9578912047483698
Energy: 0.9590770711129752
Energy: 0.9580079236095945
Energy: 1.1112607238466001
Energy: 0.958007923613847
Energy: 1.1147575648016586
Energy: 1.0762277136820846
Energy: 1.116830910347922
Energy: 1.0762277136778322
Energy: 0.9580875851906897
Energy: 0.9585210831951496
Energy: 1.3374891770670414
Energy: 0.9585210831994022
Energy: 1.1147716186436487
Energy: 1.076187252952943
Energy: 1.1109009311691609
Energy: 1.0761872529465644
Energy: 0.9593331463967402
Energy: 0.9578912047483698
Energy: 1.1148438476163824
Energy: 0.9578912047483698

minimum gb energy = 0.9578912047483698 eV
minimum distance =  2.25350707840564 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.1503003522955262
Energy: 1.3611584820339324
Energy: 1.3880399252877293
Energy: 1.3611584820307843
Energy: 1.2960314263275514
Energy: 1.1893549528380694
Energy: 1.1220760185000809
Energy: 1.1893549528380694
Energy: 1.0994998471352526
Energy: 1.340529241017467
Energy: 1.1145891621421642
Energy: 1.3405292410143193
Energy: 1.1716453104807236
Energy: 1.1691284617456117
Energy: 1.1199019872024913
Energy: 1.1691284617463984
Energy: 1.2984111830655747
Energy: 1.2101442972752847
Energy: 1.1165925306209368
Energy: 1.2101442972784326
Energy: 1.1210719937230984
Energy: 1.122257257774533
Energy: 1.193689236470884
Energy: 1.122257257774533
Energy: 1.319313756663336
Energy: 1.2835586717007488
Energy: 1.1168037293363369
Energy: 1.2835586717031098
Energy: 1.106976821872945
Energy: 1.3054956082307028
Energy: 1.1940024276044663
Energy: 1.305495608227555
Energy: 1.0990769924801036
Energy: 1.1938741314568928
Energy: 1.1240838237296165
Energy: 1.1938741314561057
Energy: 1.1033826488770286
Energy: 1.1928639071879488
Energy: 1.1198492832112366
Energy: 1.1928639071879488
Energy: 1.1065672196908243
Energy: 1.1807723368901435
Energy: 1.3529421086930438
Energy: 1.1807723368917176
Energy: 1.2152368592477238
Energy: 1.453147662873444
Energy: 1.1059846765884407
Energy: 1.4531476628750182
Energy: 1.100250187718773
Energy: 1.3515385775441318
Energy: 1.2449675932117594
Energy: 1.3515385775433446
Energy: 1.1760928300220785
Energy: 1.3474007866860573
Energy: 1.1589523222583338
Energy: 1.3474007866907791
Energy: 1.1103736146942034
Energy: 1.2679882679489376
Energy: 1.177689336664276
Energy: 1.2679882679512984
Energy: 1.103745851013756
Energy: 1.350313147395443
Energy: 1.2058765618469203
Energy: 1.3503131473938692
Energy: 1.1610697925478062
Energy: 1.2710144626797866
Energy: 1.110044638684242
Energy: 1.2710144626797866
Energy: 1.1101577916614649
Energy: 1.2017993145509676
Energy: 1.238847212763151
Energy: 1.2017993145525416
Energy: 1.2993014257665974
Energy: 1.2679274638611058
Energy: 1.1215897558817596
Energy: 1.2679274638626796
Energy: 1.1065752223514242
Energy: 1.2226822406785656
Energy: 1.1921862821497489
Energy: 1.2226822406801396
Energy: 1.1704206991239368
Energy: 1.3521791540476529
Energy: 1.1762186016748504
Energy: 1.3521791540484398
Energy: 1.186721805450333
Energy: 1.2397544571852617
Energy: 1.1006479076868825
Energy: 1.2397544571852617
Energy: 1.1240488162562994
Energy: 1.1790865304446463
Energy: 1.0963728703783342
Energy: 1.1790865304383504
Energy: 1.418720035951663
Energy: 1.2531664886084906
Energy: 1.1043627289835358
Energy: 1.2531664886147862
Energy: 1.118013772760539
Energy: 1.445568643631701
Energy: 1.2976672505640965
Energy: 1.4455686436348492
Energy: 1.1576323019773371
Energy: 1.2112264436873676
Energy: 1.0980520285117141
Energy: 1.2112264436881546
Energy: 1.1723960751926448
Energy: 1.159783698506331
Energy: 1.1708643883051866
Energy: 1.1597836985260053
Energy: 1.154706774565388
Energy: 1.3482765808574741
Energy: 1.1706455527967765
Energy: 1.3482765808574741
Energy: 1.1536017431871746
Energy: 1.2101768507106077
Energy: 1.097385056072051
Energy: 1.2101768507098205
Energy: 1.1214560197745873
Energy: 1.4290021324242985
Energy: 1.2998332852433885
Energy: 1.4290021324258722
Energy: 1.3507533307331743
Energy: 1.2518108329626414
Energy: 1.103771038736958
Energy: 1.2518108329657893
Energy: 1.1237732228932564
Energy: 1.197370204067485
Energy: 1.0985277411597154
Energy: 1.1973702040690586
Energy: 1.1226440505037827
Energy: 1.2417755740230236
Energy: 1.0997281440648647
Energy: 1.2417755740222367
Energy: 1.170464456427241
Energy: 1.3533269823839258
Energy: 1.1716852928665196
Energy: 1.3533269823854999
Energy: 1.110918242982221
Energy: 1.3225678435415247
Energy: 1.3165992816103933
Energy: 1.3225678435415247

minimum gb energy = 1.0963728703783342 eV
minimum distance =  2.20565606346321 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.2058873781823576
Energy: 1.2067029764899289
Energy: 1.400520628346238
Energy: 1.20670297648868
Energy: 1.2377230284396536
Energy: 1.3385336188104566
Energy: 1.1214374290849962
Energy: 1.3385336188079595
Energy: 1.1029090806226267
Energy: 1.1865830566035303
Energy: 1.1240649829208103
Energy: 1.1865830565972875
Energy: 1.0938725308996726
Energy: 1.3226511837590913
Energy: 1.1437459394931344
Energy: 1.3226511837653343
Energy: 1.1437681168468279
Energy: 1.2513919913143658
Energy: 1.1455600622204354
Energy: 1.2513919913131173
Energy: 1.1353137647402602
Energy: 1.114113901444902
Energy: 1.330364722199483
Energy: 1.1141139014461503
Energy: 1.3169763986318381
Energy: 1.2995615332321555
Energy: 1.111295563507048
Energy: 1.29956153323837
Energy: 1.105910449374604
Energy: 1.2461639638062176
Energy: 1.2901112425150163
Energy: 1.246163963798726
Energy: 1.2922916240404396
Energy: 1.119613166074708
Energy: 1.119225344505564
Energy: 1.1196131660759565
Energy: 1.108617880565584
Energy: 1.2227399977356657
Energy: 1.1070386664148348
Energy: 1.222739997733197
Energy: 1.1093083152943404
Energy: 1.1892274081112295
Energy: 1.256170735926775
Energy: 1.1892274081137268
Energy: 1.223981767897568
Energy: 1.3093491213469575
Energy: 1.0966787429483131
Energy: 1.3093491213494546
Energy: 1.139283504351926
Energy: 1.2165852117504115
Energy: 1.2830658984692356
Energy: 1.2165852117541571
Energy: 1.3600609946858362
Energy: 1.2874177075801883
Energy: 1.1342153925917475
Energy: 1.287417707577691
Energy: 1.100580735956796
Energy: 1.2618757351814398
Energy: 1.292123481655431
Energy: 1.261875735180191
Energy: 1.26107360877097
Energy: 1.2573608435531634
Energy: 1.103287926438879
Energy: 1.2573608435481975
Energy: 1.165922069611675
Energy: 1.1668282164490618
Energy: 1.1031573042878708
Energy: 1.1668282164528074
Energy: 1.1661979531473023
Energy: 1.1941890856738506
Energy: 1.1026839564301183
Energy: 1.194189085667608
Energy: 1.0921261054462381
Energy: 1.1918568670986958
Energy: 1.103841914091942
Energy: 1.1918568670986958
Energy: 1.1027727848194455
Energy: 1.2350214266082629
Energy: 1.3399003255966193
Energy: 1.2350214266095114
Energy: 1.4179380084253068
Energy: 1.1725397139261837
Energy: 1.1337484504903572
Energy: 1.1725397139286813
Energy: 1.1441772342621463
Energy: 1.265617128941768
Energy: 1.2187740621151018
Energy: 1.2656171289430163

minimum gb energy = 1.0921261054462381 eV
minimum distance =  2.20239409277234 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.2411087622613521
Energy: 1.2425718648655757
Energy: 1.491930252510274
Energy: 1.2425718648558641
Energy: 1.2871862850405478
Energy: 1.182765547623861
Energy: 1.1264893762364556
Energy: 1.1827655476309238
Energy: 1.1021118607905247
Energy: 1.2625962970609355
Energy: 1.1552062393356757
Energy: 1.26259629705307
Energy: 1.166143778352607
Energy: 1.3231812618302878
Energy: 1.1510263775586476
Energy: 1.3231812618267564
Energy: 1.1372355932311486
Energy: 1.2294046902347473
Energy: 1.1787732574454195
Energy: 1.2294046902268012
Energy: 1.1207114723243639
Energy: 1.2258006624008897
Energy: 1.284069384055129
Energy: 1.2258006623964754
Energy: 1.2780715774368578
Energy: 1.4927341166923511
Energy: 1.1553918769860982
Energy: 1.4927341166897024
Energy: 1.1207246908780726
Energy: 1.2634932341926652
Energy: 1.4736994176035063
Energy: 1.2634932341926652
Energy: 1.2618300452042397
Energy: 1.307075695069803
Energy: 1.146759482957333
Energy: 1.3070756950645057
Energy: 1.1138617347479804
Energy: 1.2822513286870696
Energy: 1.2863590662780366
Energy: 1.2822513286941326
Energy: 1.1635802003701698
Energy: 1.267164645565763
Energy: 1.1473182253862662
Energy: 1.2671646455648802
Energy: 1.175353197116275
Energy: 1.300311272816707
Energy: 1.147743844325069
Energy: 1.30031127282377
Energy: 1.1802088434028777
Energy: 1.2270527232042552
Energy: 1.151404921207985
Energy: 1.2270527232086696
Energy: 1.2024781514873943
Energy: 1.2157283053070362
Energy: 1.145673421600455
Energy: 1.2157283053193961
Energy: 1.109130238870311
Energy: 1.3071916372062082
Energy: 1.3482708244988357
Energy: 1.3071916371964967
Energy: 1.4581045455459873
Energy: 1.2228295994229699
Energy: 1.1473179917488605
Energy: 1.2228295994176728
Energy: 1.1252386019953389
Energy: 1.259960773221408
Energy: 1.2399186643925504
Energy: 1.2599607732134621
Energy: 1.1660395540280541
Energy: 1.3645722430131815
Energy: 1.150398920922658
Energy: 1.3645722430193614
Energy: 1.1254863444681722
Energy: 1.2635167073925566
Energy: 1.153755440523533
Energy: 1.263516707389025
Energy: 1.1292686972132215
Energy: 1.2587715213514252
Energy: 1.1947369176316929
Energy: 1.258771521354074
Energy: 1.1668741453020732
Energy: 1.353677858252436
Energy: 1.1464082457030877
Energy: 1.3536778582497873
Energy: 1.1106164766381958
Energy: 1.2627979608299889
Energy: 1.2436480771482665
Energy: 1.26279796082116
Energy: 1.3427093174048705
Energy: 1.3285238209635017
Energy: 1.1322962130586112
Energy: 1.3285238209635017
Energy: 1.2359715612907742
Energy: 1.2425952175264674
Energy: 1.3253056200359512
Energy: 1.2425952175273502
Energy: 1.233262058752327
Energy: 1.230414489914526
Energy: 1.1335221160524451
Energy: 1.2304144899136429
Energy: 1.1543810018604852
Energy: 1.2625607370032372
Energy: 1.1565102194081136
Energy: 1.2625607370138316
Energy: 1.1151776015051122
Energy: 1.3147058577726427
Energy: 1.1570786217596765
Energy: 1.314705857770877
Energy: 1.2071164139060142
Energy: 1.22971430256056
Energy: 1.1596267252409687
Energy: 1.2297143025490824
Energy: 1.12253471463369
Energy: 1.2252592770546502
Energy: 1.2158522696975134
Energy: 1.2252592770458215
Energy: 1.2770669850620588
Energy: 1.1719073683137475
Energy: 1.1270550880914936
Energy: 1.1719073683058019
Energy: 1.1224779217244067
Energy: 1.262072040506867
Energy: 1.2901404834114392
Energy: 1.2620720404847952

minimum gb energy = 1.1021118607905247 eV
minimum distance =  2.15431823206029 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.1097291249124466
Energy: 1.1437650689237855
Energy: 1.278945240425088
Energy: 1.143765068922282
Energy: 1.0880505776026042
Energy: 1.1121076372427037
Energy: 1.11011769195627
Energy: 1.1121076372430114
Energy: 1.1122776957875409
Energy: 1.2214284899935488
Energy: 1.145566710628781
Energy: 1.2214284899929682
Energy: 1.1111372106724668
Energy: 1.0518449993273047
Energy: 1.1104698998986153
Energy: 1.05184499932792
Energy: 1.110167738254428
Energy: 1.1561951417207204
Energy: 1.1451595246331756
Energy: 1.156195141719217
Energy: 1.1119687357568644
Energy: 1.2043084310496797
Energy: 1.1120966297584578
Energy: 1.2043084310490986
Energy: 1.0525792855846392
Energy: 1.1566047429125315
Energy: 1.110193868539953
Energy: 1.156604742912224
Energy: 1.1103837083116854
Energy: 1.0517859409844197
Energy: 1.1111997914254168
Energy: 1.051785940985308
Energy: 1.145554968208487
Energy: 1.1118083890867685
Energy: 1.1123125778925287
Energy: 1.1118083890870762

minimum gb energy = 1.0517859409844197 eV
minimum distance =  2.28302196295502 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.1438457612241597
Energy: 1.2450973896911994
Energy: 1.3428546811709685
Energy: 1.2450973896895312
Energy: 1.197151450020527
Energy: 1.3044133730283727
Energy: 1.0532195700151636
Energy: 1.3044133730242027
Energy: 1.0502996962038413
Energy: 1.2466281936042936
Energy: 1.2094872850305969
Energy: 1.2466281936042936
Energy: 1.0843568198978848
Energy: 1.2920471155772368
Energy: 1.1061560072771868
Energy: 1.2920471155847424
Energy: 1.0833067668576102
Energy: 1.2076991447957743
Energy: 1.2987036017569922
Energy: 1.2076991447957743
Energy: 1.1421005655248502
Energy: 1.2516024789157425
Energy: 1.0786281150094856
Energy: 1.2516024789107385
Energy: 1.0720080308301085
Energy: 1.2214372563175158
Energy: 1.0897273934969303
Energy: 1.221437256315014
Energy: 1.0845537065888733
Energy: 1.2125160973697968
Energy: 1.0460170632375574
Energy: 1.2125160973789708
Energy: 1.0971298470014716
Energy: 1.3060957652315006
Energy: 1.1079865508441358
Energy: 1.3060957652306668
Energy: 1.1064357866331795
Energy: 1.1998020267519547
Energy: 1.081672495204487
Energy: 1.1998020267536225
Energy: 1.0507499003608867
Energy: 1.1915426628425136
Energy: 1.048920072505629
Energy: 1.1915426628500196
Energy: 1.0617660189293323
Energy: 1.2520172503895244
Energy: 1.2539561029742075
Energy: 1.2520172503870226
Energy: 1.2322457281717354
Energy: 1.159335593767846
Energy: 1.152242973270156
Energy: 1.1593355937595062
Energy: 1.0742510349592762
Energy: 1.2575314876314443
Energy: 1.1333608689838108
Energy: 1.2575314876306105
Energy: 1.3015373834369937
Energy: 1.3786187391502616
Energy: 1.0489384122321515
Energy: 1.3786187391519298
Energy: 1.0967127225644697
Energy: 1.2294981820169077
Energy: 1.2892938377723155
Energy: 1.229498182020244
Energy: 1.2961193741992179
Energy: 1.2144500779027416
Energy: 1.054843871742289
Energy: 1.2144500778960696
Energy: 1.0766584417441698
Energy: 1.2517905791548665
Energy: 1.259546448614952
Energy: 1.2517905791440247
Energy: 1.0893886231882663
Energy: 1.222909062059178
Energy: 1.075881868042172
Energy: 1.22290906205334
Energy: 1.0609886882741664
Energy: 1.2651856954714615
Energy: 1.1340848553023575
Energy: 1.2651856954639558
Energy: 1.0566880537497743
Energy: 1.2535296564715608
Energy: 1.0981245237261017
Energy: 1.2535296564765648
Energy: 1.0700886231451932
Energy: 1.1980376752978856
Energy: 1.095589451977562
Energy: 1.1980376752978856
Energy: 1.0539846232783463
Energy: 1.2563180534355618
Energy: 1.0554800517369511
Energy: 1.25631805343306
Energy: 1.2587983750649439
Energy: 1.1570202120685131
Energy: 1.0573397243085492
Energy: 1.1570202120685131
Energy: 1.2485146518372061
Energy: 1.2108964028886966
Energy: 1.0638066557487031
Energy: 1.2108964028886966
Energy: 1.1106324023939627
Energy: 1.254145956763092
Energy: 1.078376043207723
Energy: 1.2541459567572542
Energy: 1.0554490371580498
Energy: 1.1802886697622497
Energy: 1.1988401438195013
Energy: 1.1802886697697557
Energy: 1.1723358861902997
Energy: 1.1978988009512348
Energy: 1.0937425546282633
Energy: 1.197898800945397
Energy: 1.0553278528672105
Energy: 1.4546034503528371
Energy: 1.226303041455793
Energy: 1.454603450358675
Energy: 1.3348586452539506
Energy: 1.25860601383136
Energy: 1.0759456618554815
Energy: 1.2586060138205182
Energy: 1.0556767672579315
Energy: 1.1301524259715185
Energy: 1.2537605510551253
Energy: 1.1301524259673488
Energy: 1.2975410871735167
Energy: 1.353949577113349
Energy: 1.063161251009868
Energy: 1.353949577119187
Energy: 1.1014289363064358
Energy: 1.1932108161775183
Energy: 1.0542244590432517
Energy: 1.1932108161658426

minimum gb energy = 1.0460170632375574 eV
minimum distance =  2.16517111472627 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.0898731445966543
Energy: 1.0905683188415458
Energy: 1.5345197165725624
Energy: 1.0905683188380866
Energy: 1.1025390236122583
Energy: 1.25276014761266
Energy: 1.0115677634706788
Energy: 1.2527601476092005
Energy: 0.9765222410315103
Energy: 1.2342787165577267
Energy: 1.3805012451587306
Energy: 1.2342787165646454
Energy: 1.0827989693839637
Energy: 1.1502615184119873
Energy: 0.9884614107963776
Energy: 1.150261518409681
Energy: 1.0074897024735496
Energy: 1.2262112025775629
Energy: 1.2495802096855728
Energy: 1.2262112025729506
Energy: 0.9761280899593054
Energy: 1.2344440086292754
Energy: 0.9869431719251277
Energy: 1.2344440086281225
Energy: 0.9765405014193521
Energy: 1.2273952363157332
Energy: 1.0575250032375612
Energy: 1.2273952363111207
Energy: 0.9764507641555613
Energy: 1.2359795765678927
Energy: 1.0349042238486923
Energy: 1.2359795765748114
Energy: 1.0915659112170455
Energy: 1.067988122484485
Energy: 1.1042425800286444
Energy: 1.067988122486791
Energy: 1.0923358820809628
Energy: 1.0702162044604604
Energy: 1.0347393225982653
Energy: 1.0702162044535417
Energy: 0.9765731437263144
Energy: 1.2355128713266523
Energy: 1.1037708804855946
Energy: 1.2355128713231933
Energy: 0.9767166302342792
Energy: 1.2277885887493147
Energy: 1.0386824464894555
Energy: 1.2277885887585398
Energy: 0.9761726595233089
Energy: 1.2345619547228128
Energy: 0.9869234004156602
Energy: 1.2345619547239661
Energy: 1.0075082392890655
Energy: 1.2262213712803154
Energy: 1.1998119026774274
Energy: 1.2262213712665302
Energy: 1.0830442913279352
Energy: 1.1526328360009543
Energy: 0.9924877175730026
Energy: 1.1526328360078208
Energy: 0.9765144263481413
Energy: 1.2342599156716327
Energy: 1.167282119822168
Energy: 1.234259915672786
Energy: 1.1023794120448618
Energy: 1.2530268413205043
Energy: 1.0115744324856355
Energy: 1.2530268413158918
Energy: 1.0898731445966543
Energy: 1.0905683188415458
Energy: 1.2985279361948197
Energy: 1.0905683188380866
Energy: 1.1025390236111052
Energy: 1.2527601476149661
Energy: 1.0115677634695257
Energy: 1.2527601476103536
Energy: 0.9765222410315103
Energy: 1.2342787165577267
Energy: 1.3805012451587306
Energy: 1.2342787165646454
Energy: 1.0827989693816575
Energy: 1.1502615184108342
Energy: 0.9884614107963776
Energy: 1.150261518409681
Energy: 1.0074897024735496
Energy: 1.2262112025775629
Energy: 1.2495802096855728
Energy: 1.2262112025729506
Energy: 0.976128089965071
Energy: 1.2344440086292754
Energy: 0.9869431719239746
Energy: 1.2344440086281225
Energy: 0.9765405014193521
Energy: 1.2273952363157332
Energy: 1.057525003236408
Energy: 1.2273952363111207

minimum gb energy = 0.9761280899593054 eV
minimum distance =  2.19708924600188 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.09680844779164
Energy: 1.0968025023744634
Energy: 1.28935799766859
Energy: 1.0968025023744634
Energy: 1.227842555560439
Energy: 1.2230976811504335
Energy: 1.0212680615434035
Energy: 1.223097681153997
Energy: 1.0130411156649994
Energy: 1.1652607526858376
Energy: 1.285814628922039
Energy: 1.1652607526836993
Energy: 1.1567467924110573
Energy: 1.2168329859320421
Energy: 1.010272194020158
Energy: 1.2168329859334677
Energy: 1.008093472535893
Energy: 1.3059763461269212
Energy: 1.1081819873893348
Energy: 1.305976346127634
Energy: 1.0247783355781728
Energy: 1.4074278741950355
Energy: 1.0340620681105381
Energy: 1.4074278741978863
Energy: 1.02626399882816
Energy: 1.159405450561199
Energy: 1.1142802905327638
Energy: 1.159405450558348
Energy: 1.0123850100741676
Energy: 1.1314007872914134
Energy: 1.01007959853495
Energy: 1.1314007872999663
Energy: 1.1014026412882019
Energy: 1.2519448542700407
Energy: 1.111923503429908
Energy: 1.2519448542714662
Energy: 1.107582415461775
Energy: 1.2617085135357093
Energy: 1.0112391832009886
Energy: 1.2617085135449748
Energy: 1.0029851484593777
Energy: 1.2251126803599948
Energy: 1.0103546551227778
Energy: 1.2251126803642711
Energy: 1.0030055529730777
Energy: 1.135735269374043
Energy: 1.0051760743864364
Energy: 1.1357352693747558
Energy: 1.022717804408497
Energy: 1.4224715753532164
Energy: 1.0161982282486224
Energy: 1.4224715753510784
Energy: 1.006666524491648
Energy: 1.1886145339865133
Energy: 1.134058172786056
Energy: 1.188614533984375
Energy: 1.0145733775805952
Energy: 1.2226996211931578
Energy: 1.1127526577555302
Energy: 1.222699621192445
Energy: 1.013517700484406
Energy: 1.165402625161204
Energy: 1.0878117492984927
Energy: 1.165402625161204
Energy: 1.0517967477185057
Energy: 1.223625566094336
Energy: 1.0166060638424472
Energy: 1.2236255660957611
Energy: 1.0026268482732825
Energy: 1.1832208825167518
Energy: 1.2405198366469306
Energy: 1.1832208825131882
Energy: 1.1967585507943088
Energy: 1.4038862474744165
Energy: 1.0209634174972555
Energy: 1.4038862474722782
Energy: 1.0261758714015714
Energy: 1.0752676482318124
Energy: 1.1999170120430755
Energy: 1.0752676482318124
Energy: 1.208963967879718
Energy: 1.1826052613912337
Energy: 1.0205791819183416
Energy: 1.182605261391946
Energy: 1.0207259236671884
Energy: 1.3133385285071395
Energy: 1.2663709976462982
Energy: 1.3133385285071395
Energy: 1.0856315191995192
Energy: 1.2376416078917143
Energy: 1.0296021590893052
Energy: 1.237641607890289
Energy: 1.0216188580939043
Energy: 1.275204429726676
Energy: 1.2270477803009927
Energy: 1.275204429726676
Energy: 1.1215374419247763
Energy: 1.1828568278534088
Energy: 1.0055761788073174
Energy: 1.1828568278526959
Energy: 1.0169368697383399
Energy: 1.1924674786503797
Energy: 1.0661389512296453
Energy: 1.1924674786503797
Energy: 1.1680144057180761
Energy: 1.4270799467192017
Energy: 1.0093747416945598
Energy: 1.427079946718489
Energy: 1.119014817992872
Energy: 1.2217750803378422
Energy: 1.0057213793645705
Energy: 1.2217750803399805
Energy: 1.1289366613561014
Energy: 1.1874321596948587
Energy: 1.009581283767972
Energy: 1.187432159694146
Energy: 1.016423168171914
Energy: 1.4145550760371668
Energy: 1.0974576703579177
Energy: 1.4145550760336032
Energy: 1.0034641477583883
Energy: 1.1874172279244308
Energy: 1.0041131648571096
Energy: 1.1874172279251434
Energy: 1.015528013195525
Energy: 1.3904197578447373
Energy: 1.0030552585198491
Energy: 1.3904197578454502
Energy: 1.0105569894969884
Energy: 1.2628336874068269
Energy: 1.2224735073819715
Energy: 1.2628336874075394
Energy: 1.1135814841544949
Energy: 1.2520198058764096
Energy: 1.0268348871694577
Energy: 1.2520198058785477
Energy: 1.0072107523322906
Energy: 1.290193643659693
Energy: 1.0849283154587368
Energy: 1.2901936436589803
Energy: 1.1176048030155528
Energy: 1.1624240397691556
Energy: 1.0227075343035559
Energy: 1.1624240397691556
Energy: 1.02969475930498
Energy: 1.4081071581112572
Energy: 1.0297374504786905
Energy: 1.4081071581105444
Energy: 1.0874698515159393
Energy: 1.3048634415996114
Energy: 1.025782345453764
Energy: 1.3048634416003237

minimum gb energy = 1.0026268482732825 eV
minimum distance =  2.18365691002883 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.9181297101742728
Energy: 0.9183637989758017
Energy: 1.552828231751274
Energy: 0.9183637989795314
Energy: 0.9187890469566035
Energy: 0.9708295047795497
Energy: 0.949617697450032
Energy: 0.9708295047795497
Energy: 0.9495817203595471
Energy: 1.2398635080171936
Energy: 1.5064777681802959
Energy: 1.2398635080171936
Energy: 1.0852080192312312
Energy: 0.9711443484279522
Energy: 0.9561679673055633
Energy: 0.9711443484279522
Energy: 0.9501010703803905
Energy: 1.1040795078980175
Energy: 0.9180543721912837
Energy: 1.1040795078980175
Energy: 0.9498265074042448
Energy: 0.9195295309272649
Energy: 0.9180484760870664
Energy: 0.9195295309272649
Energy: 0.9502776093710875
Energy: 1.183152259310892
Energy: 0.9196321344668695
Energy: 1.183152259310892
Energy: 1.0134071894363914
Energy: 1.1684922534706537
Energy: 0.9564809396314713
Energy: 1.1684922534687887
Energy: 0.9502286568425055
Energy: 1.045325534624155
Energy: 0.9335210055280595
Energy: 1.0453255346260197
Energy: 0.971597472177533
Energy: 0.919039670225663
Energy: 0.9501145350461995
Energy: 0.9190396702237982
Energy: 0.9180109795289093
Energy: 0.97183016216962
Energy: 0.9510685489401571
Energy: 0.9718301621714849
Energy: 0.9189206900490863
Energy: 1.1861876401846758
Energy: 0.9518957843662713
Energy: 1.186187640182811
Energy: 0.9498008302897382
Energy: 1.0353204958599824
Energy: 1.0130204261640634
Energy: 1.0353204958618472
Energy: 0.9503494404259089
Energy: 1.0451744938185672
Energy: 0.9503080182334153
Energy: 1.0451744938185672
Energy: 0.9324521147109469
Energy: 1.0358367565814515
Energy: 0.9496611110267522
Energy: 1.0358367565814515

minimum gb energy = 0.9180109795289093 eV
minimum distance =  2.220676763724 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.014232284957472
Energy: 1.1975678367274258
Energy: 1.2260353358799054
Energy: 1.1975678367368052
Energy: 1.0984217057838543
Energy: 1.2285780697116404
Energy: 0.9358519162041663
Energy: 1.2285780697006978
Energy: 0.9462390639187788
Energy: 1.221679692460321
Energy: 1.0967220637863024
Energy: 1.2216796924759536
Energy: 0.951458916584897
Energy: 1.2291326359453316
Energy: 0.9324952176927002
Energy: 1.229132635946113
Energy: 0.9583394833658975
Energy: 1.2783032849481197
Energy: 1.0655990141655691
Energy: 1.2783032849403033
Energy: 0.9600023711787506
Energy: 1.103184430488205
Energy: 0.9785333793406663
Energy: 1.1031844304999296
Energy: 0.9578884887687789
Energy: 1.3870983699689676
Energy: 1.1494834103225982
Energy: 1.387098369974439
Energy: 0.9336509668456758
Energy: 1.2498521894482941
Energy: 0.9789551574312071
Energy: 1.2498521894412595
Energy: 0.9572605295366391
Energy: 1.2881729215014663
Energy: 1.0775633920135788
Energy: 1.2881729215061561
Energy: 1.100019445457312
Energy: 1.3064918576657976
Energy: 0.9319718437744672
Energy: 1.3064918576681426
Energy: 0.9442117658687292
Energy: 1.2033188641417756
Energy: 0.9408290916564971
Energy: 1.203318864142557
Energy: 1.0688899750799297
Energy: 1.4326992736789521
Energy: 0.9424537051593923
Energy: 1.432699273667228
Energy: 1.0159142307423326
Energy: 1.2524493310626517
Energy: 0.9760405896982688
Energy: 1.252449331065778
Energy: 1.1984723116575635
Energy: 1.3426576866266822
Energy: 0.9432974825912797
Energy: 1.342657686643878
Energy: 0.9444353953064877
Energy: 1.2022477117629862
Energy: 0.9622140250719456
Energy: 1.2022477117622046
Energy: 0.9556794597024182
Energy: 1.1984044648469143
Energy: 0.9269110534154529
Energy: 1.1984044648469143
Energy: 0.9816503558321364
Energy: 1.4033423059737193
Energy: 0.9270728520439645
Energy: 1.403342305971374
Energy: 0.9789229588452607
Energy: 1.2835769237220906
Energy: 0.9737097875413393
Energy: 1.2835769237244354
Energy: 0.9763311193557371
Energy: 1.2080348260055316
Energy: 0.9736473616962603
Energy: 1.2080348260031866
Energy: 0.9765532318964303
Energy: 1.2081246032270039
Energy: 0.9737987721918242
Energy: 1.208124603231694
Energy: 0.9793233014932786
Energy: 1.2836174633507134
Energy: 0.9737335498744676
Energy: 1.283617463349932
Energy: 0.981687790531828
Energy: 1.4033744204121141
Energy: 0.9271108013669799
Energy: 1.4033744204066425
Energy: 0.9553265819846886
Energy: 1.1981930373727114
Energy: 0.9268876794554367
Energy: 1.1981930373578606
Energy: 0.9442471335341371
Energy: 1.2088254372553373
Energy: 0.9665289962075406
Energy: 1.2088254372264173
Energy: 1.1984655972509897
Energy: 1.3423261732869505
Energy: 0.9434054604321123
Energy: 1.3423261732971115
Energy: 1.0154605786948023
Energy: 1.2528606541870968
Energy: 0.9806337131203587
Energy: 1.2528606541917864
Energy: 1.0691079197889366
Energy: 1.431961032932701
Energy: 0.9424563037059849
Energy: 1.4319610329272299
Energy: 0.9439343184786106
Energy: 1.2033253863986797
Energy: 0.9656179756867802
Energy: 1.2033253863924267
Energy: 1.100842224674007
Energy: 1.3054810381057689
Energy: 0.9313918164096863
Energy: 1.3054810380988056
Energy: 0.9571047909524034
Energy: 1.2880845260803144
Energy: 1.1978955703198786
Energy: 1.2880845260764062
Energy: 0.9339040750808203
Energy: 1.2498836871867662
Energy: 0.9784141716901381
Energy: 1.2498836871711339
Energy: 0.9578766436591272
Energy: 1.3870036834617099
Energy: 1.1903905654102842
Energy: 1.3870036834757793
Energy: 0.9602269378157654
Energy: 1.1032495021989068
Energy: 0.9787822415301931
Energy: 1.1032495021957804
Energy: 0.9587039522857121
Energy: 1.2782646437182432
Energy: 1.2372972630369772
Energy: 1.2782646437182432
Energy: 0.9522605940339459
Energy: 1.229174861293295
Energy: 0.9325000975921259
Energy: 1.229174861288605

minimum gb energy = 0.9268876794554367 eV
minimum distance =  2.16626141116302 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.9466285145337096
Energy: 0.9366480183111356
Energy: 0.9515488845984492
Energy: 0.9366480183111356
Energy: 1.056316435252935
Energy: 1.1292655672143135
Energy: 0.8970139847332848
Energy: 1.1292655672129686
Energy: 0.9023941940470173
Energy: 1.3523001558734231
Energy: 1.1528255706115142
Energy: 1.3523001558747678
Energy: 0.8812367633704686
Energy: 1.1283377430187664
Energy: 0.8963778407060744
Energy: 1.1283377430187664
Energy: 0.89433501149895
Energy: 1.1289371723598678
Energy: 0.8946189768178697
Energy: 1.1289371723612125
Energy: 0.8962186083229671
Energy: 1.1305226676259534
Energy: 0.8833732062880923
Energy: 1.1305226676246087
Energy: 0.9217119991608823
Energy: 1.3636146842521137
Energy: 1.0984105237996662
Energy: 1.3636146842521137
Energy: 0.8950775162648937
Energy: 0.941809347343746
Energy: 0.9446787806177186
Energy: 0.941809347343746
Energy: 0.8944622022488907
Energy: 1.1309061956952622
Energy: 1.0987750967974519
Energy: 1.1309061956952622
Energy: 1.1537745210657389
Energy: 1.4183626111463563
Energy: 0.8832282529623967
Energy: 1.418362611147701
Energy: 0.9221868734561467
Energy: 1.3669984918050642
Energy: 0.8807966311652959
Energy: 1.3669984918050642
Energy: 1.1517544090959042
Energy: 1.1311289414030596
Energy: 0.8966051069264801
Energy: 1.1311289414044046
Energy: 0.8800838073518243
Energy: 1.131209934535023
Energy: 0.8979403577996575
Energy: 1.131209934535023
Energy: 1.0981103350504418
Energy: 1.365454622918262
Energy: 0.8944943136445797
Energy: 1.365454622918262
Energy: 0.9438917514113933
Energy: 1.010851579471243
Energy: 0.8948264201260564
Energy: 1.010851579471243
Energy: 0.9461145670355181
Energy: 1.1311903912779144
Energy: 0.8967063253185396
Energy: 1.1311903912779144
Energy: 0.8802422745176041
Energy: 1.4171904904334705
Energy: 0.9503779549928332
Energy: 1.4171904904334705
Energy: 0.8806994967087644
Energy: 1.3635358839873626
Energy: 0.894526329889443
Energy: 1.3635358839873626
Energy: 0.8952091505658838
Energy: 1.130347171590737
Energy: 0.8946086007225292
Energy: 1.130347171590737
Energy: 0.8943016992655911
Energy: 1.1320996037382458
Energy: 0.8811017944729571
Energy: 1.132099603739591

minimum gb energy = 0.8800838073518243 eV
minimum distance =  2.18089791789824 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.944379146385081
Energy: 1.143856875499664
Energy: 0.8956496832653238
Energy: 1.143856875499664
Energy: 1.1310659928221867
Energy: 1.1603088760361386
Energy: 0.8835023223397119
Energy: 1.1603088760361386
Energy: 0.8756448841106507
Energy: 0.8731883349896533
Energy: 1.0439255423653826
Energy: 0.8731883349896533
Energy: 0.9913740915826796
Energy: 1.160392007205738
Energy: 0.8833222302616904
Energy: 1.1603920072088882
Energy: 0.8863961892841468
Energy: 1.1609982791920455
Energy: 0.8588320484551306
Energy: 1.1609982791909956
Energy: 0.8617170286103855
Energy: 1.1611522876376978
Energy: 0.8835408128515435
Energy: 1.161152287639798
Energy: 0.8868351381258753
Energy: 1.0074686510636053
Energy: 0.992917619862484
Energy: 1.0074686510667559
Energy: 0.8661799524358103
Energy: 1.0676633641541726
Energy: 0.8746565161001703
Energy: 1.0676633641541726
Energy: 0.8812115794446046
Energy: 1.161066919978001
Energy: 1.1321078474548465
Energy: 1.1610669199769512
Energy: 0.8593515551300678
Energy: 1.144325700090205
Energy: 0.945865475722402
Energy: 1.144325700089155
Energy: 0.8867219491933236
Energy: 1.0078145383833081
Energy: 1.1453769699954925
Energy: 1.0078145383843582
Energy: 1.0456318453788214
Energy: 1.2083271028762912
Energy: 0.8773275762192194
Energy: 1.2083271028794416
Energy: 0.8811382436224793
Energy: 1.1614461022895384
Energy: 1.0830211419564075
Energy: 1.1614461022916385
Energy: 1.0358289720297813
Energy: 1.1675854934760295
Energy: 0.883683860849227
Energy: 1.167585493472879
Energy: 0.8868138916815448
Energy: 1.0073371558539241
Energy: 0.8520979486591385
Energy: 1.0073371558528739
Energy: 1.0177349053533986
Energy: 1.337548472412161
Energy: 0.8815172909616165
Energy: 1.3375484724132107
Energy: 0.88071024669006
Energy: 1.0672379891229833
Energy: 0.8628680379556509
Energy: 1.0672379891250834
Energy: 1.0321744566549313
Energy: 1.1615721061235624
Energy: 0.8811615708388169
Energy: 1.161572106122512
Energy: 0.9503908846929017
Energy: 1.146593602124882
Energy: 0.8590285122877604
Energy: 1.1465936021238319
Energy: 1.146437651903829
Energy: 1.298786982708166
Energy: 0.8816277510684626
Energy: 1.298786982708166
Energy: 0.880694096846611
Energy: 1.209504203043562
Energy: 0.8859739195174995
Energy: 1.209504203041462
Energy: 0.8744488886031458
Energy: 1.1633662071091724
Energy: 0.8818168931249556
Energy: 1.1633662071081226
Energy: 0.8867440912604455
Energy: 1.2738690439085636
Energy: 1.035983956356162
Energy: 1.2738690439075135
Energy: 0.8517987685889293
Energy: 1.2889773164531064
Energy: 0.8807290432151366
Energy: 1.2889773164531064
Energy: 0.8810993894528558
Energy: 1.336237879414978
Energy: 1.018155936882088
Energy: 1.336237879412878
Energy: 0.8596861311745522
Energy: 1.0668106758483493
Energy: 0.8726124470787258
Energy: 1.066810675847299

minimum gb energy = 0.8517987685889293 eV
minimum distance =  2.20083816619551 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.0596559645671786
Energy: 1.0622247091084076
Energy: 1.1529548445042952
Energy: 1.062224709104103
Energy: 1.1587543398631284
Energy: 1.047339016307263
Energy: 0.8322321712351094
Energy: 1.0473390163038192
Energy: 0.8641226663183751
Energy: 1.0398435471168104
Energy: 1.0139945371367762
Energy: 1.0398435471143062
Energy: 1.0500233880044785
Energy: 1.0476797173804118
Energy: 0.8320906108910511
Energy: 1.0476797173786898
Energy: 0.8235081014381475
Energy: 1.0845758516442194
Energy: 0.8826135991897908
Energy: 1.0845758516450805
Energy: 0.9275675401636021
Energy: 1.0478475397133686
Energy: 0.8307320054153798
Energy: 1.0478475397159515
Energy: 0.8269590452851558
Energy: 1.0475205585138208
Energy: 0.9392430992578369
Energy: 1.0475205585146818
Energy: 0.8217982667208381
Energy: 0.9628998999937782
Energy: 0.8242873644786557
Energy: 0.9628998999937782
Energy: 0.8360267169244356
Energy: 1.2022583477663076
Energy: 1.0477135693325514
Energy: 1.2022583477611426
Energy: 0.8257558795946025
Energy: 1.0395755709403247
Energy: 0.8643698125171259
Energy: 1.0395755709446293
Energy: 0.8276984928185562
Energy: 1.0474826979598135
Energy: 1.1793087859869158
Energy: 1.0474826979598135
Energy: 0.8209643763700265
Energy: 1.0625137088603818
Energy: 1.0609151155434928
Energy: 1.0625137088612424
Energy: 0.8364941994211675
Energy: 1.1759265101793475
Energy: 1.1823593485947477
Energy: 1.175926510177626
Energy: 0.9649371966561531
Energy: 1.289461524426437
Energy: 0.8648228816777292
Energy: 1.2894615244298806
Energy: 0.8283369830584042
Energy: 1.0474540912186436
Energy: 1.0416004738787037
Energy: 1.0474540912212265
Energy: 0.9768204814511899
Energy: 1.0749060263495136
Energy: 0.8242502383450261
Energy: 1.0749060263529573
Energy: 0.8360994100000987
Energy: 1.1758347239541238
Energy: 0.929776995763186
Energy: 1.175834723951541
Energy: 0.9571271212424863
Energy: 1.290991159219992
Energy: 0.8307874933724108
Energy: 1.2909911592225742
Energy: 0.8270863979353276
Energy: 0.9626784517944237
Energy: 0.8198059344685313
Energy: 0.9626784517927018
Energy: 0.9464701481696367
Energy: 1.1777027548957362
Energy: 0.8409577380108335
Energy: 1.1777027548940142
Energy: 0.8675669080585179
Energy: 1.1772404316254428
Energy: 0.8386954761034995
Energy: 1.1772404316237213
Energy: 1.180284547062404
Energy: 1.3101015965522225
Energy: 0.8281055769537277
Energy: 1.3101015965565268
Energy: 1.0642345278994099
Energy: 1.0620620201606754
Energy: 0.8216878113765776
Energy: 1.0620620201598145
Energy: 1.0666366057944805
Energy: 1.1755042468013241
Energy: 0.8287528918946431
Energy: 1.1755042468039065
Energy: 0.867338313072156
Energy: 1.285018345855081
Energy: 0.8429104472659259
Energy: 1.2850183458576638
Energy: 1.0445149921561536
Energy: 1.2771175168471633
Energy: 0.8281716877491279
Energy: 1.277117516850607
Energy: 0.8269293165220714
Energy: 1.0761732977795277
Energy: 0.9727715288096245
Energy: 1.076173297776084
Energy: 0.8252549830402872
Energy: 1.175671948449834
Energy: 0.8420337213398078
Energy: 1.175671948450695
Energy: 0.8361687654433124
Energy: 1.284882851527531
Energy: 0.9595246282558488
Energy: 1.28488285152667
Energy: 0.8185615164947487
Energy: 1.2343248999968452
Energy: 0.827354551198748
Energy: 1.234324899999428
Energy: 0.8269446519636946
Energy: 1.1783467696787087
Energy: 0.9475761217969311
Energy: 1.178346769676987
Energy: 0.8217599321431923
Energy: 1.176105546647027
Energy: 0.8717497758774848
Energy: 1.176105546646166

minimum gb energy = 0.8185615164947487 eV
minimum distance =  2.18289979910058 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.0624132500101977
Energy: 1.207173929728839
Energy: 0.8967952233556088
Energy: 1.2071739297200874
Energy: 1.2159631214413018
Energy: 1.0891215181485785
Energy: 0.8115337876390372
Energy: 1.0891215181551421
Energy: 0.8971348087698933
Energy: 1.031876326425002
Energy: 0.9085247807575655
Energy: 1.0318763264206923
Energy: 1.1261737298195653
Energy: 1.0380909984824307
Energy: 0.812609893444752
Energy: 1.0380909984838893
Energy: 0.8563864901471848
Energy: 1.187573724415986
Energy: 0.8566781130123227
Energy: 1.1875737244167153
Energy: 1.0219370582379432
Energy: 1.0947854064319489
Energy: 0.8114523461096096
Energy: 1.0947854064436178
Energy: 0.8219397629255402
Energy: 0.9908175020016008
Energy: 0.8952653685960286
Energy: 0.990817501989932
Energy: 0.9241327269158923
Energy: 0.9851649604688237
Energy: 0.8240056162729619
Energy: 0.9851649604731996
Energy: 0.8156023335110083
Energy: 1.2013561521309568
Energy: 1.028961891169985
Energy: 1.2013561521287688
Energy: 0.83061889508195
Energy: 1.1442413487359295
Energy: 0.8564772537410386
Energy: 1.1442413487461398
Energy: 0.8099981838269645
Energy: 1.09863433918607
Energy: 1.1283504390342731
Energy: 1.0986343391853406
Energy: 0.7997706601620979
Energy: 1.0324028616046657
Energy: 0.8974868576972028
Energy: 1.0324028616039362
Energy: 0.8150399630430727
Energy: 1.2012183100369889
Energy: 1.2295189478257067
Energy: 1.2012183100296958
Energy: 0.7828471508669033
Energy: 1.1864623801707512
Energy: 1.005104825783682
Energy: 1.186462380165646
Energy: 0.8095358768623614
Energy: 1.08877839924294
Energy: 1.188275489571587
Energy: 1.0887783992502331
Energy: 0.8989765062747631
Energy: 1.0321845096117046
Energy: 0.8974475351505029
Energy: 1.032184509610246
Energy: 0.8150117086576
Energy: 1.1700806769236216
Energy: 1.201947011973844
Energy: 1.170080676930119
Energy: 0.9085430005271105
Energy: 1.1935695936792408
Energy: 0.8564889764808316
Energy: 1.1935695936792408
Energy: 0.8109582172341919
Energy: 1.0849569556269378
Energy: 1.025099731055609
Energy: 1.0849569556269378
Energy: 0.9547407852176049
Energy: 0.9860429346522169
Energy: 0.8240852799031929
Energy: 0.9860429346471118
Energy: 0.8271109698940369
Energy: 1.1242141982667484
Energy: 0.92689293774348
Energy: 1.1242141982798757
Energy: 0.9420974139537948
Energy: 1.2199109146659428
Energy: 0.8167637031982029
Energy: 1.219910914680529
Energy: 0.8587112810107833
Energy: 1.1462714829939515
Energy: 0.831708936307065
Energy: 1.1462714829808243
Energy: 1.1354238466424564
Energy: 1.0999132500893414
Energy: 0.80935923118357
Energy: 1.0999132500820485
Energy: 0.8994758100818988
Energy: 1.1730732675809574
Energy: 0.8386589090695417
Energy: 1.1730732675700177
Energy: 1.1498053036869722
Energy: 1.2011396143109938
Energy: 0.8185588652607813
Energy: 1.201139614306618
Energy: 1.0656554465850765
Energy: 1.2011862285617978
Energy: 0.7847763759302376
Energy: 1.2011862285690909
Energy: 1.3151488453692808
Energy: 1.0884561430374453
Energy: 0.8091958253765105
Energy: 1.0884561430425508
Energy: 0.8992126135531239
Energy: 1.2292962411977515
Energy: 0.7946670381212245
Energy: 1.2292962412057737
Energy: 1.037263027250042
Energy: 1.1693449534562357
Energy: 0.8189637326536828
Energy: 1.1693449534642577
Energy: 0.8591233784413457
Energy: 1.1937952785233572
Energy: 0.9136063217261773
Energy: 1.1937952785240864
Energy: 1.0228671057321932
Energy: 1.0844266068632673
Energy: 0.8127389465871139
Energy: 1.0844266068618087
Energy: 0.8273064304221744
Energy: 1.2289430999408273
Energy: 0.9485301533632842
Energy: 1.2289430999379098
Energy: 0.8350498398895329
Energy: 1.1286402441803565
Energy: 0.8316696589540387
Energy: 1.1286402441810857
Energy: 0.7991989851843236
Energy: 1.1940826729878096
Energy: 0.9407224778747377
Energy: 1.1940826729870802
Energy: 0.8368130608423485
Energy: 1.146585033136058
Energy: 0.8625707857199466
Energy: 1.1465850331389753
Energy: 0.810425314099245
Energy: 1.2300876310637066
Energy: 1.135761884351344
Energy: 1.2300876310651652

minimum gb energy = 0.7828471508669033 eV
minimum distance =  2.14709474816469 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.9819342435752502
Energy: 1.085077804766837
Energy: 0.7994347519988984
Energy: 1.0850778047662044
Energy: 1.2012100673666102
Energy: 1.0044304292480737
Energy: 0.7564000229748287
Energy: 1.0044304292468085
Energy: 0.9263591761113383
Energy: 0.9269416344227848
Energy: 0.8984920923956429
Energy: 0.9269416344221523
Energy: 1.1165697472805898
Energy: 1.0045592156285141
Energy: 0.7564413464214466
Energy: 1.0045592156297791
Energy: 0.7954676846187108
Energy: 0.8932844321843652
Energy: 0.7275329515816465
Energy: 0.8932844321849978
Energy: 1.1424504526484698
Energy: 1.0048530509664426
Energy: 0.7566604361802645
Energy: 1.0048530509651774
Energy: 0.752160380550996
Energy: 0.9520108515242962
Energy: 0.802186243620404
Energy: 0.9520108515249287
Energy: 0.881481649200659
Energy: 1.0046464066664698
Energy: 0.7571981915120186
Energy: 1.0046464066658372
Energy: 0.7566959263383081
Energy: 0.9078655916824728
Energy: 0.8906518412827573
Energy: 0.9078655916824728
Energy: 0.8052027450014863
Energy: 0.9521985022799198
Energy: 0.7526703489420264
Energy: 0.952198502281185
Energy: 0.7540853980227445
Energy: 1.004441744652987
Energy: 1.0286754907650137
Energy: 1.0044417446523544
Energy: 0.7263536351515736
Energy: 1.0592897764195799
Energy: 0.7959094498272766
Energy: 1.0592897764189473
Energy: 0.7551677761876957
Energy: 0.9081405810996197
Energy: 1.1127196826709984
Energy: 0.9081405810996197
Energy: 0.7419315936173974
Energy: 0.9269800811916946
Energy: 0.9268008763190417
Energy: 0.9269800811929597
Energy: 0.7543223528716024
Energy: 1.0049089261367439
Energy: 1.174406438043532
Energy: 1.0049089261354789
Energy: 0.7251791249737878
Energy: 1.083441149484968
Energy: 0.982346777598152
Energy: 1.0834411494824379
Energy: 0.7549843920861986
Energy: 0.9081134712742227
Energy: 1.1740432104437066
Energy: 0.9081134712735903
Energy: 0.8427340733103879
Energy: 0.9270564057036349
Energy: 0.9268155261376994
Energy: 0.9270564057042675
Energy: 0.7545544632207205
Energy: 1.0047160411076237
Energy: 1.0669763452919405
Energy: 1.004716041106991
Energy: 0.8329800620302897
Energy: 1.0951766452579468
Energy: 0.7958218904587391
Energy: 1.095176645259212
Energy: 0.7550707022313299
Energy: 0.9083224316228296
Energy: 0.9725566103463236
Energy: 0.908322431624727
Energy: 0.8277743228229567
Energy: 0.9324912699340385
Energy: 0.7529224960679731
Energy: 0.9324912699346711
Energy: 0.7584968449941534
Energy: 1.00492194725937
Energy: 0.8819509406326964
Energy: 1.00492194725937
Energy: 0.8250610541084923
Energy: 1.1034589504276675
Energy: 0.7572626969132803
Energy: 1.1034589504270351
Energy: 0.7540132125100693
Energy: 0.8616386741939835
Energy: 0.8095371488344412
Energy: 0.8616386741927186
Energy: 0.9789531211224872
Energy: 1.0045908061903759
Energy: 0.7544058620640055
Energy: 1.0045908061910085
Energy: 0.7970329003544359
Energy: 1.06089877253568
Energy: 0.7250884402608664
Energy: 1.0608987725363126
Energy: 0.9863441764848232
Energy: 1.1017213180621606
Energy: 0.7547096747375684
Energy: 1.1017213180634258
Energy: 0.9281614634850375
Energy: 0.9272206796752529
Energy: 0.7341804153199291
Energy: 0.9272206796752529
Energy: 1.1740795291613155
Energy: 1.0419308759201846
Energy: 0.7548415657191622
Energy: 1.0419308759227146
Energy: 0.9833699733693111
Energy: 1.0841334166256869
Energy: 0.7251596190764752
Energy: 1.0841334166263195
Energy: 1.083871167143848
Energy: 1.1015575763325713
Energy: 0.7546413187338333
Energy: 1.1015575763319387
Energy: 0.9281910332808501
Energy: 0.9272348253828989
Energy: 0.7505670956454338
Energy: 0.9272348253835314
Energy: 1.0641706457347793
Energy: 1.0421894017981115
Energy: 0.754970106243257
Energy: 1.042189401798744
Energy: 0.7970582365687566
Energy: 1.142988109331619
Energy: 0.8342937831675149
Energy: 1.1429881093322516
Energy: 0.893540954524857
Energy: 1.104621608303973
Energy: 0.7544870762235365
Energy: 1.104621608303973
Energy: 0.7540750514138385
Energy: 0.9328887663308111
Energy: 0.8305715298053927
Energy: 0.9328887663295748
Energy: 0.8816963844748792
Energy: 1.0389467537280639
Energy: 0.7563061462267026
Energy: 1.0389467537286965
Energy: 0.7586074024915509
Energy: 1.1437678340593251
Energy: 0.8249551484911928
Energy: 1.1437678340574278
Energy: 0.7271098653214911
Energy: 1.0538371508751478
Energy: 0.752392825675676
Energy: 1.0538371508751478
Energy: 0.7547429211009573
Energy: 1.0046673716240304
Energy: 0.9787314009457126
Energy: 1.0046673716240304
Energy: 0.7278491007893889
Energy: 1.0925903583718153
Energy: 0.7988398622880488
Energy: 1.092590358371183
Energy: 0.755201432700087
Energy: 1.1438551434828002
Energy: 0.9868788189343417
Energy: 1.1438551434821678

minimum gb energy = 0.7250884402608664 eV
minimum distance =  2.18029272639293 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.021599847507523955
Energy: 0.022474151534292528
Energy: 0.7857878419321924
Energy: 0.022474151535697248
Energy: 0.7852800353958981
Energy: 0.6516567993237167
Energy: 0.6516764120802568
Energy: 0.6516567993251754
Energy: 0.021599847507523955
Energy: 0.02247415153472475
Energy: 0.7857878419269517
Energy: 0.022474151535697248
Energy: 0.7852800353954119
Energy: 0.6516567993227982
Energy: 0.6516764120750701
Energy: 0.6516567993246891
Energy: 0.021599847507523955
Energy: 0.02247415153472475
Energy: 0.7857878419269517
Energy: 0.022474151535697248
Energy: 0.7852800353963845
Energy: 0.6516567993232304
Energy: 0.6516764120774473
Energy: 0.6516567993246891

minimum gb energy = 0.021599847507523955 eV
minimum distance =  2.41443183729436 Angstroms
sigma value = 1