Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850998893380165
cohesive_energy=4.280334775369924
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.9511627484178798e-19, 2.7688175718134397e-19, 3.39272117485938e-19, 3.8998741665857396e-19, 4.3254923894078394e-19, 4.689410790054599e-19, 5.00430258570096e-19, 5.27883555193686e-19, 5.51930624293392e-19, 5.73048914506146e-19, 5.916037221044999e-19, 6.07891449765744e-19, 6.22150821808344e-19, 6.3458211031155e-19, 6.45351941645298e-19, 6.5460130735338e-19, 6.624519728599799e-19, 6.690112839995759e-19, 6.743705648403059e-19, 6.786115263905041e-19, 6.81807868775334e-19, 6.840204747068879e-19, 6.85311829073892e-19, 6.85731599352e-19, 6.852717746580419e-19, 6.837449003258399e-19, 6.80889821564052e-19, 6.763748878094398e-19, 6.69794748373602e-19, 6.60630298027122e-19, 6.48229450879962e-19, 6.31760677259076e-19, 6.10160131879488e-19, 5.820595558957619e-19, 5.4567732889089e-19, 4.98682283862402e-19, 4.37991832966482e-19, 3.59494790960286e-19, 2.5763320710046797e-19, 1.248188524130772e-19, -4.9476015546237e-20, -2.8005246474003e-19, -5.88123794455452e-19, -1.004680106235648e-18, -1.576142865874134e-18, -2.3742014668592397e-18, -3.51259603061526e-18, -5.1769050744817796e-18, -7.67857571434206e-18, -1.155573101625768e-17, -1.77618903821874e-17, -2.79927494962578e-17, -4.507756003291679e-17, -7.23651915925512e-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: 0.013271401967170556
Energy: 0.013577061554625073
Energy: 0.23767673116766957
Energy: 0.9174124306231352
Energy: 0.23770356784064386
Energy: 0.013529709248238264
Energy: 0.013577061554625073
Energy: 0.8624251872143188
Energy: 0.8645186749456707
Energy: 0.2377114346058533
Energy: 0.8630824168593235
Energy: 0.23776370535495453
Energy: 0.23767673116766957
Energy: 0.8645186749456707
Energy: 0.8623309212311471
Energy: 0.013712454670961346
Energy: 0.23770613719394548
Energy: 0.8632657268127467
Energy: 0.9174124306231352
Energy: 0.23771143460487293
Energy: 0.013712454670961346
Energy: 0.013399192414434548
Energy: 0.23810355191810617
Energy: 0.23773734472582014
Energy: 0.23770356784064386
Energy: 0.8630824168593235
Energy: 0.2377061371934693
Energy: 0.23810355191810617
Energy: 0.8623892062051645
Energy: 0.23773210267678616
Energy: 0.013529709248238264
Energy: 0.23776370535447833
Energy: 0.8632657268117664
Energy: 0.23773734472582014
Energy: 0.23773210267779454
Energy: 0.013414562328379873

minimum gb energy = 0.013271401967170556 eV
minimum distance =  2.46811440622459 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 0.9767460735330242
Energy: 1.070914456155749
Energy: 1.0413087610423566
Energy: 1.0278807387711961
Energy: 1.0414343836360556
Energy: 1.0698654217940957
Energy: 1.066595933336633
Energy: 1.0108270050734012
Energy: 1.030870106275404
Energy: 1.0125801753884924
Energy: 1.0312410343910448
Energy: 1.091987853777561
Energy: 1.0105829968622662
Energy: 1.0401866113190503
Energy: 1.0935108776106628
Energy: 1.020002256574547
Energy: 1.0319002153590953
Energy: 1.0309700642256734
Energy: 1.0106788381556417
Energy: 1.0290676804999064
Energy: 1.1129408216365715
Energy: 1.0882094557393074
Energy: 1.0286040014538294
Energy: 1.0312417168618635
Energy: 1.00912190309957
Energy: 1.029478994237051
Energy: 1.030713519442904
Energy: 1.0750712740647876
Energy: 1.0297037739041146
Energy: 1.010688533153874
Energy: 1.0213945057099403
Energy: 1.105192192052061
Energy: 1.0296516403302651
Energy: 1.0224232253487884
Energy: 1.106714921550274
Energy: 1.0216397034567348
Energy: 1.0222232460549654
Energy: 1.1045496896625158
Energy: 1.149699278101168
Energy: 1.0212625982885613
Energy: 1.1068978420540156
Energy: 1.0925279991576273
Energy: 1.0107367692097868
Energy: 0.9533243040336392
Energy: 1.0221062182895015
Energy: 1.0222116893050603
Energy: 1.0238192487556113
Energy: 0.9545561463052032
Energy: 0.9494800060752574
Energy: 1.1077815584828206
Energy: 1.1077612870913742
Energy: 1.0157046632721591
Energy: 1.1083085290313874
Energy: 0.9679469499793175
Energy: 0.9516729331075522
Energy: 1.105352222419146
Energy: 1.0289706726103467
Energy: 1.0104790218269677
Energy: 1.1061445462413917
Energy: 1.1285834591244137
Energy: 1.0111449489675262
Energy: 1.010923177047792
Energy: 1.0293867283879272
Energy: 1.0234044214012856
Energy: 1.028773612965946
Energy: 1.0110655654043248
Energy: 1.0095816577733647
Energy: 1.0443017358323836
Energy: 1.0665921352159005
Energy: 1.0665660331183762
Energy: 1.0293369053907502
Energy: 1.0423129605496944
Energy: 1.0094697952964553
Energy: 1.0287650127853338
Energy: 1.0671467644865256
Energy: 1.06624218409608
Energy: 1.0296806575497028
Energy: 1.0288227227631397
Energy: 0.964540759209096
Energy: 1.030181443602276
Energy: 1.040942033405077
Energy: 0.9544945245670184
Energy: 1.0298290485123793
Energy: 1.0300340754214086
Energy: 1.4609374021517192
Energy: 1.029708036157413
Energy: 1.0288838381109644
Energy: 1.0109523846666482
Energy: 1.0280711813904506
Energy: 1.1098850841800834
Energy: 1.0200743050442285
Energy: 1.0310255227861298
Energy: 1.0307602464626076
Energy: 1.0151571301744238
Energy: 1.0405628132530327
Energy: 1.0930516644551949
Energy: 1.0134117467706483
Energy: 1.0294366192002502
Energy: 0.9554391206828261
Energy: 1.0271295325499874
Energy: 1.0108675592162202
Energy: 1.029990405958634
Energy: 1.0147081296242042
Energy: 1.108861507291825
Energy: 1.1071984794190823
Energy: 1.0947379271345008
Energy: 1.1081562216195684
Energy: 1.048476807475425
Energy: 1.010761520756076
Energy: 1.1101380214415775
Energy: 0.9733338398920766
Energy: 1.0290809249554476
Energy: 1.1091784446518766
Energy: 1.0499201995260021
Energy: 1.0093347877365186
Energy: 1.0290496199398196
Energy: 0.9541133219401136
Energy: 1.0243197750043471
Energy: 1.1015237212995996
Energy: 1.0127153146082413
Energy: 1.0166785635749138
Energy: 1.1061204725972023
Energy: 1.1288026420077744
Energy: 0.9497807347215217
Energy: 1.1059900389845432
Energy: 1.1058914949132528
Energy: 1.0231235048191798
Energy: 1.040337397912535
Energy: 1.029050092531701
Energy: 0.9524517119073959
Energy: 1.1080888369225952
Energy: 1.0415604813133987
Energy: 1.0654468722087105
Energy: 1.0117719619866403
Energy: 1.031142936509831
Energy: 1.0106037751207775
Energy: 1.031654830273755
Energy: 1.092283748473775

minimum gb energy = 0.9494800060752574 eV
minimum distance =  2.26688985060436 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.927020566621012
Energy: 1.117798050273179
Energy: 1.086030603396839
Energy: 1.058088140569589
Energy: 1.0858687119631922
Energy: 1.1528426188441523
Energy: 1.2092406389123502
Energy: 1.1819069173075598
Energy: 1.077958009298596
Energy: 1.0825642679760072
Energy: 1.0856229819964731
Energy: 1.1408051634215928
Energy: 1.1692823659233231
Energy: 1.139969526164655
Energy: 1.1271433623646967
Energy: 1.0707609731443277
Energy: 1.1396662682657537
Energy: 1.138809293874266
Energy: 1.1593528555504873
Energy: 1.1394620886447278
Energy: 1.1372327457361102
Energy: 1.1662693357914184
Energy: 1.1371697340499327
Energy: 1.150687630085917
Energy: 1.166477749393549
Energy: 1.1407251991079568
Energy: 1.1256213423722268
Energy: 1.1669393487409834
Energy: 1.1255398172620346
Energy: 1.1712809619060063
Energy: 1.0596476268509372
Energy: 1.1896989556469768
Energy: 1.0860130950408011
Energy: 1.07096432384504
Energy: 1.2151729522018042
Energy: 1.0720979797240788
Energy: 1.0580713638138441
Energy: 1.1897442391907949
Energy: 1.1891087933475317
Energy: 1.5383272951832734
Energy: 1.1896717679598137
Energy: 1.071727157525927
Energy: 1.1711151810824454
Energy: 1.1289395608894264
Energy: 1.0876138613915844
Energy: 1.174042860354903
Energy: 1.0845640939144352
Energy: 1.1286500549308194
Energy: 1.068167381757485
Energy: 1.140753110062533
Energy: 1.1490819622070942
Energy: 1.1578209721768404
Energy: 1.149560880953713
Energy: 1.1308132672209494
Energy: 1.0133845281710516
Energy: 1.1372797073647727
Energy: 1.1384098193890073
Energy: 1.1573793411121216
Energy: 1.1373487536563456
Energy: 1.149600705005895
Energy: 1.1137663894171577
Energy: 1.0828967454507357
Energy: 1.1379176055581033
Energy: 1.1405979788754075
Energy: 1.1390862816435472
Energy: 1.0826412435257924
Energy: 1.0680324056328685
Energy: 1.071038330261884
Energy: 1.0723125563895186
Energy: 1.076797741552813
Energy: 1.072855615891225
Energy: 1.0711220884857744
Energy: 1.0403445468314791
Energy: 1.0710883558041746
Energy: 1.077946572663685
Energy: 1.0191176670138122
Energy: 1.0735339889475275
Energy: 1.042944432654268
Energy: 1.0682831057676565
Energy: 1.075935790385449
Energy: 1.138076979059873
Energy: 1.1691872173542228
Energy: 1.1386056707063663
Energy: 1.0693290093936336
Energy: 1.0548872530350055
Energy: 1.169565909555771
Energy: 1.1379492579228747
Energy: 1.16613726351682
Energy: 1.1726715031436898
Energy: 1.1701974489907196
Energy: 1.0836270006390438
Energy: 1.3171962291333013
Energy: 1.194165615819809
Energy: 1.1566141340406966
Energy: 1.1942228760971227
Energy: 1.0831562683501028
Energy: 1.1245011821621516
Energy: 1.125874778620134
Energy: 1.1677221506141506
Energy: 1.1684210426182382
Energy: 1.1379697360052978
Energy: 1.1246615219304734
Energy: 1.0141082829571337
Energy: 1.1678018934943384
Energy: 1.1886100099562067
Energy: 1.3937191721845812
Energy: 1.1691859951379147
Energy: 1.0134366196856883
Energy: 1.0230227796224975
Energy: 1.16843210765809
Energy: 1.1410684092816414
Energy: 1.168202023763493
Energy: 1.13904842998648
Energy: 1.0859268578956
Energy: 1.0708298753141638
Energy: 1.0774547881155767
Energy: 1.1389962359185837
Energy: 1.1687477709895349
Energy: 1.2804159680387106
Energy: 1.0754765900710332
Energy: 1.0467256776671048
Energy: 1.0753935216684365
Energy: 1.1139625330995888
Energy: 1.1528075746934479
Energy: 1.072006850551937
Energy: 1.0427004079646311
Energy: 1.0738637643024151
Energy: 1.078817628352668
Energy: 1.139315781498751
Energy: 1.0654767361826563
Energy: 1.083198136477701
Energy: 1.0757386414963452
Energy: 1.1698023834322473
Energy: 1.317834594212981
Energy: 1.1406831741874688
Energy: 1.1680575599764604
Energy: 1.1389116493002325
Energy: 1.1260154597479672
Energy: 1.833345927758049
Energy: 1.1383168787645117
Energy: 1.1407014700381197
Energy: 1.1597232919864529
Energy: 1.1389630007285332
Energy: 1.1763059034264776
Energy: 1.168864763836955
Energy: 1.1255898302228853
Energy: 1.1393727118129617
Energy: 1.1525305457690176
Energy: 1.1390686201532179
Energy: 1.1254854224990454
Energy: 1.0851305704472891
Energy: 1.084262899989556
Energy: 1.0850212930909557
Energy: 1.08653258703922
Energy: 1.190406940884413
Energy: 1.0851026192497892
Energy: 1.0675618174049135
Energy: 1.1888438909959744
Energy: 1.1890335981652997
Energy: 1.0525019960630448
Energy: 1.1889947775153586
Energy: 1.189995524939649
Energy: 1.0815397938583862
Energy: 1.0865876741166456
Energy: 1.129766687978084
Energy: 1.1344465115765268
Energy: 1.1300142418688948
Energy: 1.0732177579229782
Energy: 1.1498486149997442
Energy: 1.1542778911064167
Energy: 1.1295048123671871
Energy: 1.1219950848601346
Energy: 1.1397507971556378
Energy: 1.1445112847427794
Energy: 1.1502896690234232
Energy: 1.1397389543672485
Energy: 1.1485589747530407
Energy: 1.0106616108663233
Energy: 1.1390330406728195
Energy: 1.1509372702506522
Energy: 1.1415090008096789
Energy: 1.1395575111894465
Energy: 1.0752880269865217
Energy: 1.1116120791871447
Energy: 1.123750009075181
Energy: 1.1405112252198615
Energy: 1.0804006288437267
Energy: 1.0790770286559812
Energy: 1.075051287174069
Energy: 1.0728544057526574
Energy: 1.0757240986098795
Energy: 1.1238439596972989
Energy: 1.020517933657061
Energy: 1.0731035258133415
Energy: 1.0709291866291197
Energy: 1.0409785034653538
Energy: 1.0709678743338533
Energy: 1.1386912391288213
Energy: 1.1684120850274242
Energy: 1.137086974662982
Energy: 1.074053182396781
Energy: 1.069022882454355
Energy: 1.0858843962888884
Energy: 1.136360534328965
Energy: 1.166025344498855
Energy: 1.1351355151676907
Energy: 1.1682144139041213
Energy: 1.0494159078357872
Energy: 1.1684632796207552
Energy: 1.1383251776263632
Energy: 1.1583098665908242
Energy: 1.190180051121639
Energy: 1.2104309185851367
Energy: 1.081236453813394
Energy: 1.1678284325636807
Energy: 1.19155499085801
Energy: 1.2098140649846507
Energy: 1.1680980090313637
Energy: 1.0693188187308977
Energy: 1.123000265310053
Energy: 1.0751093574094464
Energy: 1.2145207930502537
Energy: 1.1490488251678606
Energy: 1.1904225853273878
Energy: 1.2469454976358152
Energy: 1.0211021793590191
Energy: 1.1704635845722562
Energy: 1.190412006994483
Energy: 1.1655338960972845
Energy: 1.1359828400472667
Energy: 1.1692833692579423
Energy: 1.0159825978595491
Energy: 1.1684171317922922
Energy: 1.137424266610786
Energy: 1.1688313924433409
Energy: 1.1370611899699834
Energy: 1.0751038143757832
Energy: 1.0687021983461964
Energy: 1.1265266031998515
Energy: 1.1364123207673678
Energy: 1.0100296261859323
Energy: 1.0715212092231001
Energy: 1.0427343815241972
Energy: 1.0415864472041871
Energy: 1.071322971123614
Energy: 1.1524387057487975

minimum gb energy = 1.0100296261859323 eV
minimum distance =  2.26356680048478 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.8422767723819835
Energy: 1.2005953847095414
Energy: 1.1605000497909026
Energy: 1.2591379850179805
Energy: 1.1614748823020629
Energy: 1.2011132371518962
Energy: 1.075269847068095
Energy: 1.2824181708627271
Energy: 1.1607059634415837
Energy: 1.2406427487547558
Energy: 1.1603578763568838
Energy: 1.1907750409881155
Energy: 1.2312723041017122
Energy: 1.1556706350286163
Energy: 1.1911461041001723
Energy: 1.2493952013251648
Energy: 1.160734645483004
Energy: 1.1509187584840284
Energy: 1.2504691298648967
Energy: 1.1554015737982426
Energy: 1.1579853876032344
Energy: 1.2221872932673417
Energy: 1.149996595973072
Energy: 1.1569699846459662
Energy: 1.238765843161335
Energy: 1.1901126575351648
Energy: 1.1896782283938931
Energy: 1.2786749663588337
Energy: 1.1930454262160761
Energy: 1.1569120765922676
Energy: 1.2792450479165753
Energy: 1.2059113141830446
Energy: 1.1976409487731718
Energy: 1.2421021812485953
Energy: 1.2061277098451064
Energy: 1.1952984716237347
Energy: 1.2796395029162877
Energy: 1.2058086658550766
Energy: 1.2062665207498409
Energy: 1.445390753098708
Energy: 1.2057202343654307
Energy: 1.1953016053704493
Energy: 1.274517256138426
Energy: 1.1924428789608925
Energy: 1.2796083458740526
Energy: 1.2819538245187185
Energy: 1.197846526853928
Energy: 1.1953397757597373
Energy: 1.118534321448603
Energy: 1.282528517758272
Energy: 1.157656363245993
Energy: 1.253745485818691
Energy: 1.1592857459704304
Energy: 1.118483833553
Energy: 1.1181640738148695
Energy: 1.1499488497445267
Energy: 1.1565018191732408
Energy: 1.2391196787610979
Energy: 1.1561447618812937
Energy: 1.1909813357538883
Energy: 1.233410441270382
Energy: 1.189601056112218
Energy: 1.1583848406726878
Energy: 1.2399288320933006
Energy: 1.191283595452278
Energy: 1.1901670563564408
Energy: 1.2282241792335011
Energy: 1.1487522160989905
Energy: 1.158756845896367
Energy: 1.2682016037481252
Energy: 1.1556668017440843
Energy: 1.1495121058650657
Energy: 1.2374844885080796
Energy: 1.1494331909933677
Energy: 1.1952549349520276
Energy: 1.267831507195039
Energy: 1.1596667712745208
Energy: 1.1497024516202792
Energy: 1.228417101280224
Energy: 1.1898128749096526
Energy: 1.1910299822709238
Energy: 1.2770583030386264
Energy: 1.1912446157624292
Energy: 1.2784150599320796
Energy: 1.2772289404978663
Energy: 1.2051675729711129
Energy: 1.1956312332573198
Energy: 1.4196503905715672
Energy: 1.2048700001878974
Energy: 1.2034991244803894
Energy: 1.2788138125779476
Energy: 1.1974824452487272
Energy: 1.205497467150085
Energy: 1.4465942819476414
Energy: 1.2057415255004644
Energy: 1.1966642495216453
Energy: 1.2772898834090383
Energy: 1.189550138624191
Energy: 1.2797637466893865
Energy: 1.2762142799503213
Energy: 1.1900797215093273
Energy: 1.1906905105435763
Energy: 1.1185727262722012
Energy: 1.1555671734990163
Energy: 1.1490418594089216
Energy: 1.241981008675401
Energy: 1.1499239364950913
Energy: 1.1186218506016525

minimum gb energy = 1.075269847068095 eV
minimum distance =  2.33305131553347 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 1.801440227664244
Energy: 1.3051719645653017
Energy: 1.3041781893057576
Energy: 1.2038092323201024
Energy: 1.3040329488460531
Energy: 1.3097282549900344
Energy: 1.1982427682359036
Energy: 1.3884222860557345
Energy: 1.2913087485142971
Energy: 1.2017059607552996
Energy: 1.283526599806323
Energy: 1.3709442311100943
Energy: 1.2800032710323301
Energy: 1.3385744824007337
Energy: 1.375301686276328
Energy: 1.2074872365364153
Energy: 1.3435012860154985
Energy: 1.3628040524993017
Energy: 1.3853837810404281
Energy: 1.323782873599149
Energy: 1.354307904527831
Energy: 1.2281094357066316
Energy: 1.315512402456137
Energy: 1.3440643425220185
Energy: 1.2854940522593596
Energy: 1.3292978083591085
Energy: 1.3156848117996223
Energy: 1.1906715745825736
Energy: 1.3277401327467795
Energy: 1.3442613136067914
Energy: 1.3381172303702467
Energy: 1.3076656237200617
Energy: 1.3160158024591615
Energy: 1.212189275633329
Energy: 1.372066849042056
Energy: 1.3376422271745088
Energy: 1.3389836532829342
Energy: 1.319020836027946
Energy: 1.2802028646942283
Energy: 1.3401678187308534
Energy: 1.3080674629956082
Energy: 1.3150373526767611
Energy: 1.3058978938600347
Energy: 1.3097528489747743
Energy: 1.22405788100333
Energy: 1.1994902792014073
Energy: 1.3713140747774748
Energy: 1.408664443617607
Energy: 1.1893567759726429
Energy: 1.3748568537640369
Energy: 1.2552495393518381
Energy: 1.208582219875935
Energy: 1.245875938832781
Energy: 1.3409694019064053
Energy: 1.1721743700830356
Energy: 1.2502912566575783
Energy: 1.2602269789551104
Energy: 1.2275957681422485
Energy: 1.2602002403965105
Energy: 1.32397811129916
Energy: 1.2479682647194932
Energy: 1.3291151780578707
Energy: 1.255425980601995
Energy: 1.2284961100480076
Energy: 1.255860674709742
Energy: 1.4084968612678763
Energy: 1.3073277078129566
Energy: 1.3312149487907026
Energy: 1.297001790016735
Energy: 1.1813668348636932
Energy: 1.2979079691274735
Energy: 1.3430385512379248
Energy: 1.4681252170219825
Energy: 1.2929788552955694
Energy: 1.2922286718341163
Energy: 1.1677256325620327
Energy: 1.292804058179616
Energy: 1.295567705907077
Energy: 1.306312117446728
Energy: 1.373758319278972
Energy: 1.3515321816390136
Energy: 1.166999027659006
Energy: 1.338933250591161
Energy: 1.3366484815314656
Energy: 1.3131532598656694
Energy: 1.3414247351601323
Energy: 1.3905349645874912
Energy: 1.1736504615522194
Energy: 1.339144942017729
Energy: 1.3484690555745278
Energy: 1.2643873769753127
Energy: 1.3266437597060219
Energy: 1.3401048756290295
Energy: 1.1625339717582686
Energy: 1.3266494553438746
Energy: 1.3472988879890766
Energy: 1.2524951018170514
Energy: 1.3397779184333782
Energy: 1.3392880878216977
Energy: 1.165495450235507
Energy: 1.3391292726427428
Energy: 1.3469819436980128
Energy: 1.2293307788336625
Energy: 1.3391305120092312
Energy: 1.347635700785044
Energy: 1.1672627072940522
Energy: 1.3456328936476982
Energy: 1.517055697307256
Energy: 1.2288831906991347
Energy: 1.339825082726524
Energy: 1.3489140277211622
Energy: 1.441754612954863
Energy: 1.348191811714838
Energy: 1.3612989995798075
Energy: 1.2326268719219289
Energy: 1.3677960800024045
Energy: 1.1811155967309224
Energy: 1.2841838718094685
Energy: 1.311497198383095
Energy: 1.2706415233333745
Energy: 1.1752148530046864
Energy: 1.302544202179603
Energy: 1.3419305885074433
Energy: 1.334514041869192
Energy: 1.3062007382559646
Energy: 1.2726511925012463
Energy: 1.1749292264706304
Energy: 1.282396301402346
Energy: 1.2908535759894195
Energy: 1.2678302999548943
Energy: 1.281226177391394
Energy: 1.2803601340625832
Energy: 1.2357752029040394
Energy: 1.2722996040871135
Energy: 1.2965026342459305
Energy: 1.1925005102172843
Energy: 1.2937543386285066
Energy: 1.2720450662515357
Energy: 1.2822824445237155
Energy: 1.2914096537786202
Energy: 1.3300365410283619
Energy: 1.1719188863779928
Energy: 1.2729704996778024
Energy: 1.29864852369234
Energy: 1.3017663611098245
Energy: 1.2816652299353324
Energy: 1.4103414874374816
Energy: 1.1822597267196733
Energy: 1.271813690695417
Energy: 1.2819706218111904
Energy: 1.2805841130386546
Energy: 1.2649752708690833
Energy: 1.2968614374831697
Energy: 1.2723790443999234
Energy: 1.2926659102902813
Energy: 1.265443194899567
Energy: 1.5901547999825387
Energy: 1.315640311203764
Energy: 1.2851223558365676
Energy: 1.273771098824564
Energy: 1.274401798813305
Energy: 1.3158908027687426
Energy: 1.287367484631044
Energy: 1.3480903076142197
Energy: 1.3097868533197141
Energy: 1.2902241835820654
Energy: 1.3007888972396837
Energy: 1.2971986761213912
Energy: 1.2887245477619367
Energy: 1.321200480838484
Energy: 1.2868328205551258
Energy: 1.2232213721153364
Energy: 1.3058853692516241
Energy: 1.282742988087813
Energy: 1.1755120704367454
Energy: 1.3037193488423213
Energy: 1.2953597726578514
Energy: 1.2541197559439845
Energy: 1.2957101971128164
Energy: 1.5137662789607655

minimum gb energy = 1.1625339717582686 eV
minimum distance =  2.25206091523502 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 1.4007978266341747
Energy: 1.1925740953212676
Energy: 1.2972602359515988
Energy: 1.2855818697181105
Energy: 1.296776885274385
Energy: 1.1907826619696447
Energy: 1.2558000251399986
Energy: 1.186897921606726
Energy: 1.2849260574061327
Energy: 1.2776215013384133
Energy: 1.2940630845130667
Energy: 1.2895481351937215
Energy: 1.2685650611351122
Energy: 1.2886299842160909
Energy: 1.1888956971107216
Energy: 1.269363488385064
Energy: 1.2892061536610544
Energy: 1.2887662448427788
Energy: 1.2941318562233506
Energy: 1.2933161696705646
Energy: 1.293501222834704
Energy: 1.266997168714747
Energy: 1.294210199236544
Energy: 1.2932185970381294
Energy: 1.2813293571832445
Energy: 1.2901723710842696
Energy: 1.293788295194601
Energy: 1.2792439431492155
Energy: 1.1880892993786842
Energy: 1.2899289423297342
Energy: 1.2862565618624342
Energy: 1.2948141316897999
Energy: 1.1848031748461103
Energy: 1.2753691266851555
Energy: 1.1893484449164677
Energy: 1.293918690876567
Energy: 1.2849714529122138
Energy: 1.2970107241356887
Energy: 1.1908824114274783
Energy: 1.4037964869823296
Energy: 1.2969616688094203
Energy: 1.2967339980325565
Energy: 1.2766859019979118
Energy: 1.2935318712111359
Energy: 1.2902931265069113
Energy: 1.27511909689693
Energy: 1.188426261618979
Energy: 1.2864068154747244
Energy: 1.2686145412050747
Energy: 1.1880682302512702
Energy: 1.2889169478960578
Energy: 1.2694761295645525
Energy: 1.2888550517935733
Energy: 1.2898919065105907
Energy: 1.2679890793919155
Energy: 1.2934097959776834
Energy: 1.2935956167921412
Energy: 1.2862708819900028
Energy: 1.293551847320354
Energy: 1.2902418571749956
Energy: 1.2783528018820711
Energy: 1.187463615295547
Energy: 1.2898166743519086
Energy: 1.2804529672450802
Energy: 1.1872395713140345
Energy: 1.2955447038541006
Energy: 1.2653756028006535
Energy: 1.1878896280873772
Energy: 1.2958995213527467
Energy: 1.2862861111998716
Energy: 1.2946525209697373
Energy: 1.289320498544188

minimum gb energy = 1.1848031748461103 eV
minimum distance =  2.27835517528924 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 2.029357192341365
Energy: 1.164964406680438
Energy: 1.20408238994739
Energy: 1.207162171935688
Energy: 1.2034757377782592
Energy: 1.3251843355067259
Energy: 1.1529536083581522
Energy: 1.3908183559905019
Energy: 1.1699146497695931
Energy: 1.1968280381809422
Energy: 1.1645339728898378
Energy: 1.1803366301439768
Energy: 1.193606910611024
Energy: 1.3422825616471308
Energy: 1.3471650279467133
Energy: 1.2548503456063773
Energy: 1.3433857965642662
Energy: 1.31227781974907
Energy: 1.2246964595431378
Energy: 1.3443469657271194
Energy: 1.3487303813457263
Energy: 1.2115317997508084
Energy: 1.337618325543104
Energy: 1.3430037720731387
Energy: 1.2354574531964158
Energy: 1.3434903547810015
Energy: 1.3583473961734707
Energy: 1.2596697577807328
Energy: 1.3439415856536425
Energy: 1.345226883098044
Energy: 1.2074975819584164
Energy: 1.1896841118160564
Energy: 1.3409492516043062
Energy: 1.173538749670901
Energy: 1.3641244340609586
Energy: 1.169786390343999
Energy: 1.2061552004666976
Energy: 1.1951380481695895
Energy: 1.2786427004940268
Energy: 1.6079019109547634
Energy: 1.1950865047631543
Energy: 1.2091808249178253
Energy: 1.1745789080709328
Energy: 1.205200553129301
Energy: 1.3632142849061528
Energy: 1.1735235064268867
Energy: 1.3641392050600194
Energy: 1.188101620889287
Energy: 1.2035444277244334
Energy: 1.348861218561137
Energy: 1.4051221809446335
Energy: 1.1951330954911736
Energy: 1.3674542715440625
Energy: 1.2912781233368198
Energy: 1.2105153278952032
Energy: 1.3446766490431068
Energy: 1.3740169205801307
Energy: 1.1778312138839075
Energy: 1.3459739731886358
Energy: 1.337268696095906
Energy: 1.1727465000472546
Energy: 1.3667335888700773
Energy: 1.3974812499693874
Energy: 1.2574859813402226
Energy: 1.3505508851576293
Energy: 1.1748228184364042
Energy: 1.1528904421209474
Energy: 1.3978840873662102
Energy: 1.2757799087194448
Energy: 1.174575387832247
Energy: 1.2744765933997688
Energy: 1.2975122682284574
Energy: 1.6175164626475669
Energy: 1.2768268697653087
Energy: 1.2695863647831052
Energy: 1.1744376949142254
Energy: 1.2766287143427557
Energy: 1.363876786838921
Energy: 1.177206954603157
Energy: 1.3959945357282715
Energy: 1.264269636661313
Energy: 1.1932160374328038
Energy: 1.273815283067447
Energy: 1.3856915224067414
Energy: 1.172635530489796
Energy: 1.3943743525465695
Energy: 1.1746181197958736
Energy: 1.1715796039153963
Energy: 1.3036427785979436
Energy: 1.206032871803059
Energy: 1.254502488271431
Energy: 1.2753055557190294
Energy: 1.2634336907717805
Energy: 1.1743076526824192
Energy: 1.2756792738298457
Energy: 1.3591468235556086
Energy: 1.1961820843722648
Energy: 1.2891837674062265
Energy: 1.171378188482174
Energy: 1.1721017731584147
Energy: 1.2783346683073131
Energy: 1.2823947811878038
Energy: 1.1761224076509378
Energy: 1.3509362409536114
Energy: 1.2768437591023174
Energy: 1.1936905135629559
Energy: 1.3996922223352357
Energy: 1.1767677261645908
Energy: 1.2001141555109445
Energy: 1.3573968733948267
Energy: 1.3481733529846471
Energy: 1.2724874893866978
Energy: 1.3463666018539266
Energy: 1.2873644224940248
Energy: 1.207860264714712
Energy: 1.356013461310401
Energy: 1.3679492858310012
Energy: 1.196412518646029
Energy: 1.362718788768315
Energy: 1.3277645729062915
Energy: 1.1948380809116574
Energy: 1.1787273897261097
Energy: 1.4075037156882528
Energy: 1.193145814415479
Energy: 1.3617624703868254
Energy: 1.186050778616767
Energy: 1.202716995712801
Energy: 1.181523643156482
Energy: 1.1562835935291347
Energy: 1.1936452037625565
Energy: 1.1821877907194756
Energy: 1.1902257434981367
Energy: 1.2031036768956465
Energy: 1.1873668150334753
Energy: 1.3917940173280803
Energy: 1.193150454378307
Energy: 1.1764631362641895
Energy: 1.179789511016169
Energy: 1.2465631586226467
Energy: 1.4017804472722357
Energy: 1.356015930653227
Energy: 1.210607158052481
Energy: 1.3365069415003308
Energy: 1.2030893511435248
Energy: 1.1929856555787874
Energy: 1.344158497480919
Energy: 1.3474460810446356
Energy: 1.1968173327754894
Energy: 1.345140732653767
Energy: 1.354879695932864
Energy: 1.187718213697497
Energy: 1.356948300114203
Energy: 1.3411013720219942
Energy: 1.1731231461727871
Energy: 1.3422107400755694
Energy: 1.3572178789810587
Energy: 1.1989284957364603
Energy: 1.3483730631437065
Energy: 1.1852993815051696
Energy: 1.2559866289927224
Energy: 1.182563488736446
Energy: 1.1812504712979552
Energy: 1.2259391791220768
Energy: 1.1695082057447543
Energy: 1.1940925638523834
Energy: 1.2018613641576172
Energy: 1.1700626716677618
Energy: 1.28109430764035
Energy: 1.1706141897807083
Energy: 1.3908065998967538
Energy: 1.20243533449869
Energy: 1.1999169000681222
Energy: 1.2005738970324937
Energy: 1.3500157732671798
Energy: 1.1772769069556384
Energy: 1.3701148073041898
Energy: 1.168251442954604
Energy: 1.1870341030491482
Energy: 1.3641209072305727
Energy: 1.18158295450897
Energy: 1.171139996295155
Energy: 1.3704229407730684
Energy: 1.36280266252409
Energy: 1.2912200901757669
Energy: 1.3552070389897495
Energy: 1.404480684684764
Energy: 1.336806243397522
Energy: 1.3455894103476562
Energy: 1.35151157505368
Energy: 1.1772016340421194
Energy: 1.359237286246458
Energy: 1.3650517330347474
Energy: 1.2285637079957041
Energy: 1.2874632783787576
Energy: 1.3393590228977617
Energy: 1.154079135910113
Energy: 1.3466530559795138
Energy: 1.1588523486249607
Energy: 1.1711167846913524
Energy: 1.276347254129159
Energy: 1.2751058927214418
Energy: 1.2295062359126172
Energy: 1.2751391147676039
Energy: 1.1853312480033853
Energy: 1.20251024774589
Energy: 1.265116736141705
Energy: 1.3965735825581884
Energy: 1.2291808068460985
Energy: 1.3568769428029883
Energy: 1.2154308888184242
Energy: 1.173566732644835
Energy: 1.1768641795060895
Energy: 1.464749900425434
Energy: 1.203211396763058
Energy: 1.393851186273803
Energy: 1.1628421300163225
Energy: 1.202823528982126
Energy: 1.2852224879670644
Energy: 1.3967173436465314
Energy: 1.1965799041082286
Energy: 1.2802525294813831
Energy: 1.250140756324847
Energy: 1.1696187243088212
Energy: 1.2709576667057454
Energy: 1.3508092890097907
Energy: 1.151696704867452
Energy: 1.2757375154949673
Energy: 1.1806509920435753
Energy: 1.227163528572151
Energy: 1.2805053939334199
Energy: 1.2967893085063162
Energy: 1.1550201794218573
Energy: 1.3636540112222064
Energy: 1.1588362514544286
Energy: 1.2277629133155525
Energy: 1.3446857189594417
Energy: 1.3638712036113305
Energy: 1.1767511543432185
Energy: 1.3456223715796756
Energy: 1.351394419056288
Energy: 1.2113388612651765
Energy: 1.3659878516441095
Energy: 1.3429526130889347
Energy: 1.2905302545934214
Energy: 1.3583999761873415
Energy: 1.3654679070406
Energy: 1.191695747534409
Energy: 1.3671573479419592
Energy: 1.192182546101724
Energy: 1.203060073689804
Energy: 1.3696104928935582
Energy: 1.1814986176964444
Energy: 1.1931355181719923
Energy: 1.2921031079451526
Energy: 1.2006848279926536
Energy: 1.1982217002696554
Energy: 1.2011894891465722
Energy: 1.4246370356192262

minimum gb energy = 1.151696704867452 eV
minimum distance =  2.26903688406652 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 2.004306858279474
Energy: 1.0060774203306886
Energy: 1.0266901771186636
Energy: 1.0253231716290023
Energy: 1.0264664113883897
Energy: 1.0096592472127566
Energy: 0.9792983090145034
Energy: 1.2644522943986136
Energy: 0.9882854443372283
Energy: 0.9843706760782823
Energy: 1.1741880535927125
Energy: 1.0157384558247735
Energy: 0.9861509017986798
Energy: 1.2077764650367118
Energy: 1.278846800139888
Energy: 1.022203975723029
Energy: 1.2983689536786303
Energy: 1.1652430145706643
Energy: 0.9815611732265683
Energy: 1.2801046857554623
Energy: 1.298142123223649
Energy: 1.022557152858402
Energy: 1.298371050091456
Energy: 0.9830181161404636
Energy: 0.9842013933918731
Energy: 1.2786429254829372
Energy: 1.29875597271761
Energy: 0.987242757073651
Energy: 1.2988164107836595
Energy: 1.0164840804531878
Energy: 0.983664549839482
Energy: 1.1684633620225058
Energy: 1.1933117881757593
Energy: 0.9905748200016602
Energy: 1.0167340769545226
Energy: 1.1723411706084803
Energy: 1.0318240222087076
Energy: 1.0186256160485607
Energy: 1.0179140991366578
Energy: 1.5327174245818505
Energy: 1.0171879058001687
Energy: 1.0264462045777913
Energy: 0.9901416315473995
Energy: 1.1668552095085347
Energy: 1.0167583049108617
Energy: 0.9905499231893985
Energy: 1.0171517346615324
Energy: 1.0219066506328782
Energy: 1.011838020421067
Energy: 1.0193912119048416
Energy: 1.0169822093778453
Energy: 0.9884097112368821
Energy: 1.0166174311422824
Energy: 1.0152251642186274
Energy: 1.012780919136045
Energy: 1.0187091902963596
Energy: 0.9818095257818333
Energy: 0.9803174684211307
Energy: 1.1661244232659955
Energy: 1.0243507386825688
Energy: 0.9845624552226346
Energy: 1.0176668174997752
Energy: 1.0485620041579249
Energy: 0.979036207562754
Energy: 1.1706160960628147
Energy: 0.9876316867809483
Energy: 1.0140170691431005
Energy: 1.2101592804662777
Energy: 1.205658249596545
Energy: 0.986568233186495
Energy: 1.3001575880698462
Energy: 0.9901904310413491
Energy: 0.992743180665056
Energy: 1.3019075783896201
Energy: 1.2090900159248081
Energy: 0.9904559357785533
Energy: 1.2812756512893262
Energy: 1.297848900577851
Energy: 1.0128539266186254
Energy: 1.2827033825601442
Energy: 1.2222522407076715
Energy: 1.0861419441949425
Energy: 1.2967465783805596
Energy: 1.2126966269136834
Energy: 0.9872040020083477
Energy: 1.2771999690972444
Energy: 1.1636143156690466
Energy: 0.9874143919462619
Energy: 1.0162736773050545
Energy: 1.2786500603194275
Energy: 0.9725206648223397
Energy: 1.1653973661185197
Energy: 0.9905593098208909
Energy: 0.9907189899041341
Energy: 1.1649846127103476
Energy: 1.174638695825951
Energy: 0.9735556052877592
Energy: 1.171430483948338
Energy: 1.1655820497763343
Energy: 1.0158277769250479
Energy: 1.1665681628801265
Energy: 1.1754808428094161
Energy: 0.9867500553936156
Energy: 1.0176475772433176
Energy: 1.019830382012837
Energy: 1.0238360682538772
Energy: 1.0168524864253665
Energy: 1.2809892634847442
Energy: 0.9810784692615654
Energy: 1.1741464205888144
Energy: 1.1364005535145074
Energy: 1.0399299064172605
Energy: 1.1361921281616818
Energy: 1.166448456430644

minimum gb energy = 0.9725206648223397 eV
minimum distance =  2.26929027136884 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 1.6255947373870372
Energy: 0.9049579335843763
Energy: 0.9405523104018011
Energy: 0.9384589852982317
Energy: 0.9394671584196158
Energy: 0.9036333358032407
Energy: 0.8994364065650873
Energy: 1.1313260622020151
Energy: 0.9269094352948966
Energy: 0.9049644930909828
Energy: 0.9307502502945756
Energy: 1.1246040690563488
Energy: 0.911288112656762
Energy: 1.1292959087932324
Energy: 1.1281987268410498
Energy: 0.906215973992531
Energy: 1.127543579091907
Energy: 1.295566795786378
Energy: 0.8960955196028386
Energy: 1.129385703958549
Energy: 1.1277392922321572
Energy: 0.9070554399148123
Energy: 1.1286880157005146
Energy: 1.133778097992697
Energy: 0.8990641407283058
Energy: 1.1301513351868295
Energy: 1.1269539080617719
Energy: 0.9075907283900118
Energy: 1.1261582600248154
Energy: 0.903294678866717
Energy: 0.9052251555781219
Energy: 1.1452299482374386
Energy: 1.1546348405933737
Energy: 0.9069367721452788
Energy: 1.2922932018272484
Energy: 1.119060116933235
Energy: 0.9111594655730141
Energy: 1.1832979193916018
Energy: 1.1750002332194838
Energy: 0.8971545351272708
Energy: 1.1186171357596142
Energy: 1.1291685022714677
Energy: 0.9374528264231387
Energy: 1.1444282993404584
Energy: 1.1250134071992588
Energy: 0.9086285973853452
Energy: 1.196356176786409
Energy: 1.1431435162026446
Energy: 0.9067164620141135
Energy: 0.9184953256425817
Energy: 1.1742453884159811
Energy: 0.9110433086553796
Energy: 1.125564759515624
Energy: 0.9224027460900175
Energy: 0.9024070030479139
Energy: 0.9195678332712321
Energy: 0.9257633438251412
Energy: 1.118105033718311
Energy: 0.9194780884184034
Energy: 0.904276532790272
Energy: 0.9158904902180036
Energy: 0.9198478643262787
Energy: 0.9268651818401656
Energy: 0.8982985710990702
Energy: 0.9264163393737826
Energy: 0.9196957774338831
Energy: 0.909406307024059
Energy: 0.9156069516929387
Energy: 0.9141989414491508
Energy: 0.9127576544773902
Energy: 0.9158843890899538
Energy: 0.916675752441996
Energy: 0.9227342861881039
Energy: 0.9284016180264552
Energy: 0.9283323960570734
Energy: 0.9025115805008379
Energy: 0.9271833544513082
Energy: 0.926019040078764
Energy: 0.9061422324931062
Energy: 0.9044470328493758
Energy: 0.9003493719007771
Energy: 0.8914959170628372
Energy: 0.9176719039270925
Energy: 0.9048044454569631
Energy: 0.9070051474959492
Energy: 0.9199479706711342
Energy: 1.1256612125977257
Energy: 0.9114250080494529
Energy: 1.1303496770994008
Energy: 0.9090545606531801
Energy: 0.9054372665395822
Energy: 1.1262964591827265
Energy: 1.1298667965521574
Energy: 0.9122378425408257
Energy: 1.1293558923234914
Energy: 1.1282667943947662
Energy: 0.9135501884586599
Energy: 1.1753044708887936
Energy: 1.269316739277423
Energy: 0.8982694882123402
Energy: 1.129059955542674
Energy: 1.1236968015878408
Energy: 0.904452537117798
Energy: 1.127267760781058
Energy: 1.1276778776038794
Energy: 0.8974177892230034
Energy: 1.1263651935657977
Energy: 1.1321257532525784
Energy: 0.9069044825740988
Energy: 1.1285956314200505
Energy: 1.1262733845884982
Energy: 0.9067491131090125
Energy: 1.1281768362740106
Energy: 1.127435797261982
Energy: 0.9509962421548244
Energy: 1.1277462609019115
Energy: 1.1264598518374485
Energy: 0.9063139204736673
Energy: 1.1751307421719894
Energy: 1.128047036768503
Energy: 0.9167375884025517
Energy: 1.129056921224902
Energy: 1.1272796723995924
Energy: 0.9012233487590546
Energy: 1.1285273429492946
Energy: 1.1466182437064343
Energy: 0.9030953066561153
Energy: 1.1303168397186434
Energy: 0.9211375247825111
Energy: 0.9080225271146671
Energy: 0.9188221795525574
Energy: 1.175768414845922
Energy: 1.7069200308908732
Energy: 0.9182809173974774
Energy: 0.9048494671148648
Energy: 0.9057249393802376
Energy: 0.9175920637865805
Energy: 1.126013157910216
Energy: 0.8988580569950171
Energy: 0.9352978381185237
Energy: 0.9212165913171134
Energy: 0.9202411290578599
Energy: 0.9202024213714767
Energy: 1.1193838757938706
Energy: 0.9157893682530374
Energy: 0.9147495130002341
Energy: 0.9161090139159328
Energy: 0.909313069687131
Energy: 0.9167898186819541
Energy: 1.1755135766651539
Energy: 0.9042036654009677
Energy: 0.9263272044911823
Energy: 0.9208550632642739
Energy: 0.9240615886941926
Energy: 0.9202427104752146
Energy: 0.8989867469576359

minimum gb energy = 0.8914959170628372 eV
minimum distance =  2.28816104723248 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.8202489653623861
Energy: 0.8228693834386525
Energy: 0.8693284858859439
Energy: 0.8680280663911089
Energy: 0.8704699042127975
Energy: 1.1543913917363573
Energy: 0.8235585616121722
Energy: 1.0232252272476585
Energy: 0.8498817629233726
Energy: 0.8330287597890693
Energy: 0.8470941675209924
Energy: 1.136320779715496
Energy: 0.8574912411166747
Energy: 1.0221869463037128
Energy: 1.0561645402931659
Energy: 0.832710298020978
Energy: 1.0269145193157603
Energy: 1.149161639331575
Energy: 0.8175023136987656
Energy: 1.022875543265274
Energy: 1.0561922106360502
Energy: 0.832334271985812
Energy: 1.026704869696525
Energy: 1.1484090527091761
Energy: 0.8235659972803814
Energy: 1.022730561576976
Energy: 1.0560526977002591
Energy: 1.0133934305909271
Energy: 1.0255974650036788
Energy: 1.1483556830986543
Energy: 0.8583978141223029
Energy: 1.1374873670830212
Energy: 1.0566496637530256
Energy: 1.0149874272277675
Energy: 1.1379160601151967
Energy: 1.136672073572624
Energy: 0.8327095111516186
Energy: 1.1368090996280162
Energy: 1.138709153940441
Energy: 1.135853857363127
Energy: 1.1392078999680753
Energy: 1.136952985883614
Energy: 1.0323103760599697
Energy: 1.1386900234928863
Energy: 1.143177815576468
Energy: 1.0139419296414538
Energy: 1.1389287518405526
Energy: 1.1361521010726807
Energy: 0.8292766292945216
Energy: 1.0219951988757947
Energy: 1.139660949201649
Energy: 1.1329884007012372
Energy: 1.1424801396458413
Energy: 1.0136240137779748
Energy: 0.8285622688131199
Energy: 1.0574331913636905
Energy: 1.0575614646356286
Energy: 1.1200287348937674
Energy: 1.0571344728377523
Energy: 1.0140069034987282
Energy: 0.8310808516164605
Energy: 1.0257460221399106
Energy: 1.022837732629559
Energy: 1.008315979314772
Energy: 1.0235464194670036
Energy: 1.0225488427243659
Energy: 0.8303750225267843
Energy: 1.0567221282112245
Energy: 1.0229062563440257
Energy: 1.1330130065237478
Energy: 1.0566046911399745
Energy: 1.0231230239846103
Energy: 0.8320578504836862
Energy: 0.8421367002436203
Energy: 1.0182427048603029
Energy: 1.1403282276536724
Energy: 1.0189419965229896
Energy: 0.8304060901776218
Energy: 0.8372817880537088
Energy: 0.8430767785660557
Energy: 1.0150874482337588
Energy: 1.0458563043963793
Energy: 0.8412166051372832
Energy: 0.8438341481598156
Energy: 0.8448875690440966
Energy: 0.8442387761065427
Energy: 0.8421511168402074
Energy: 1.1344544660058167
Energy: 0.8439018981031048
Energy: 0.8414666678195626
Energy: 0.833141730160772
Energy: 0.8447091300156095
Energy: 0.8424741187173347
Energy: 1.1342585238227298
Energy: 0.8422855341117502
Energy: 0.8435145209619698
Energy: 0.8382294448178496
Energy: 0.841020190899997
Energy: 0.8189793983237719
Energy: 1.1510341009371667
Energy: 0.8416288085404355
Energy: 0.8423546666182452
Energy: 0.8297913948974254
Energy: 0.8457898633921351
Energy: 1.0196656511115716
Energy: 1.1379936761903793
Energy: 1.019301040531516
Energy: 0.8312686973781437
Energy: 0.8306926799223809
Energy: 1.05653477285268
Energy: 1.0253651713992609
Energy: 1.13312208331768
Energy: 1.0252875174432754
Energy: 0.8337869944123327
Energy: 0.9315170708559346
Energy: 1.0230769545208631
Energy: 1.021626077001151
Energy: 1.1342743283088026
Energy: 1.0211575344612132
Energy: 1.0230890208942085
Energy: 0.8290302731886331
Energy: 1.056753766003786
Energy: 1.133214469285925
Energy: 1.1474679913114756
Energy: 1.0223105369462122
Energy: 1.0134805626976937
Energy: 0.8298295001825328
Energy: 1.0230064865022022
Energy: 1.1398100052798488
Energy: 1.132888380422695
Energy: 1.1433684908703068
Energy: 1.0136508275135072
Energy: 0.8304634133821523
Energy: 1.1377183634155097
Energy: 1.1436899019241518
Energy: 1.0220853063240107
Energy: 1.1387941762139473
Energy: 1.1372641702682242
Energy: 0.8565905969656314
Energy: 1.1417149870604542
Energy: 1.1382384847615197
Energy: 0.8220437422151832
Energy: 1.1385346650368477
Energy: 1.1369149974990274
Energy: 0.8569632185463032
Energy: 1.1370394375860315
Energy: 1.014542131223481
Energy: 1.0154076312809879
Energy: 1.1379795686099943
Energy: 1.1457728330996069
Energy: 0.8151109767304511
Energy: 1.0228800764259371
Energy: 1.0568869505412288
Energy: 1.0217265263412456
Energy: 1.0216400726589396
Energy: 1.1599205333923883
Energy: 0.8161626913338514
Energy: 1.0573682056726488
Energy: 1.056263464658567
Energy: 0.8293218082057444
Energy: 1.0558787382224155
Energy: 1.0228238566061554
Energy: 0.8578716017484345
Energy: 1.021860941829391
Energy: 1.0572577934034144
Energy: 0.8307403712738876
Energy: 1.022377103001035
Energy: 1.0431776901152126
Energy: 0.8560299660646585
Energy: 1.019833660959071
Energy: 0.85152943324849
Energy: 0.8336783472727411
Energy: 0.8385839749728817
Energy: 1.0198370767102887
Energy: 2.056499369861431
Energy: 0.8308572160929438
Energy: 0.8283093419862154
Energy: 0.8316689085311959
Energy: 0.8298934126697374
Energy: 1.0150625921605227
Energy: 0.8557717493698018
Energy: 0.8385421167105931
Energy: 0.8434693690594448
Energy: 0.8350977653183406
Energy: 0.847823901573924
Energy: 1.0194367612204673
Energy: 0.8585571317079157
Energy: 0.8414346941933645
Energy: 0.8431110805855431
Energy: 0.8394108403924405
Energy: 0.8419261732069457
Energy: 1.0240162477384946
Energy: 0.8115684102696528
Energy: 0.845357264888387
Energy: 0.8438491643739029
Energy: 0.8404579860740735
Energy: 0.8426459859490798
Energy: 0.8185317141836094

minimum gb energy = 0.8115684102696528 eV
minimum distance =  2.29246918710047 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 1.6928354059297457
Energy: 0.7220797776258735
Energy: 0.7335428030845632
Energy: 0.7766671356917141
Energy: 0.776983666522602
Energy: 0.9902121326991615
Energy: 1.4917371687624885
Energy: 0.8667891806816086
Energy: 0.8209340177921944
Energy: 0.8072295521608732
Energy: 0.8550854421753883
Energy: 0.9893452373453304
Energy: 1.2975881727558924
Energy: 0.8735981339147838
Energy: 0.8701141473124778
Energy: 0.8248320275027059
Energy: 0.8713977079293731
Energy: 0.9853312169440664
Energy: 1.473139728437991
Energy: 0.8708435461928904
Energy: 0.8687431429284409
Energy: 0.8240086730994687
Energy: 0.8695548445190541
Energy: 0.9775621276628389
Energy: 1.4741542652449993
Energy: 0.9890150641120063
Energy: 0.8712291739819886
Energy: 0.9448319094902302
Energy: 0.8703715360016937
Energy: 0.9787077977449773
Energy: 0.814206532700034
Energy: 0.9805313776153165
Energy: 0.9890826284951518
Energy: 0.9543090521886997
Energy: 0.9853877630265758
Energy: 0.9797277589391007
Energy: 0.8300247345884879
Energy: 0.9827214171673806
Energy: 0.9812055059175023
Energy: 0.9901980033000988
Energy: 0.9814981023522209
Energy: 0.9886585933056653
Energy: 1.383781189215737
Energy: 0.985775169101162
Energy: 0.9875913402882407
Energy: 0.9877313683382283
Energy: 0.9864729935988409
Energy: 0.9807016874401946
Energy: 0.8299395821522674
Energy: 0.9852172176801054
Energy: 0.9816837411747987
Energy: 0.9792640347717356
Energy: 0.9842140121552881
Energy: 0.9856754181279873
Energy: 0.8133969021325123
Energy: 0.9810520130230961
Energy: 0.9795063747122251
Energy: 0.9830603358474428
Energy: 0.9815480061873049
Energy: 0.9809126569567914
Energy: 0.7241066570788617
Energy: 0.9802586188546251
Energy: 0.9815287442615631
Energy: 0.9840690153735425
Energy: 0.981669810846203
Energy: 0.9800863915887631
Energy: 0.7253109476054769
Energy: 0.9815790559157163
Energy: 0.9800051980232224
Energy: 0.9804658373425738
Energy: 0.9828418407075321
Energy: 0.9831842800762894
Energy: 0.7341132119560894
Energy: 0.9791838310684031
Energy: 0.9867704174454303
Energy: 0.9868660649457234
Energy: 0.9890792885293405
Energy: 0.9783217017017254
Energy: 0.9680315178167139
Energy: 0.9869903931947508
Energy: 0.979725357276833
Energy: 0.9843834232060471
Energy: 0.980161673657932
Energy: 0.9866910059882834
Energy: 1.0812259895114482
Energy: 0.9803507264313427
Energy: 0.9812475110968458
Energy: 0.9826672226388121
Energy: 0.9812197720194415
Energy: 0.9812373416762565
Energy: 0.7266912399305829
Energy: 0.9853985089112016
Energy: 0.9834327193466209
Energy: 0.9810552215194682
Energy: 0.9895024774990835
Energy: 0.9554211312296275
Energy: 0.8086395494668827
Energy: 0.869507324976461
Energy: 0.9792048774065544
Energy: 0.9821245666498929
Energy: 0.8673908414783321
Energy: 0.9555890035880371
Energy: 0.8405368969153347
Energy: 0.8721368295405233
Energy: 0.8751798400471351
Energy: 0.9875117509449872
Energy: 0.8739208248079149
Energy: 0.8731723801578283
Energy: 0.8064164300918278
Energy: 0.8670825793122855
Energy: 0.8702241395262696
Energy: 0.9805478081179966
Energy: 0.8684353823426139
Energy: 0.8577993593851386
Energy: 0.8048387577856471
Energy: 0.7335499628690993
Energy: 0.8682106050735765
Energy: 0.9886600301726732
Energy: 0.8695367216143937
Energy: 0.8180433512157601
Energy: 0.7272326547581861
Energy: 0.7295474870446227
Energy: 0.8669718717660941
Energy: 0.9902973750784446
Energy: 0.7306279503540636
Energy: 0.7314271103902763
Energy: 0.7296328164284028
Energy: 0.7328412849975364
Energy: 0.730831629262131
Energy: 0.9807182763092136
Energy: 0.733799513226179
Energy: 0.7336549298286974
Energy: 0.729284435355697
Energy: 0.7304308423290612
Energy: 0.7306878676454241
Energy: 0.9833520364814866
Energy: 0.7312106476055402
Energy: 0.7299713066445318
Energy: 0.7291750949875867
Energy: 0.7305918712125787
Energy: 0.9774115864907924
Energy: 0.9750604180504573
Energy: 0.7305341706740713
Energy: 0.7289998652823324
Energy: 0.8031079232212247
Energy: 0.734800220337872
Energy: 0.8668300574452193
Energy: 0.9865268725962651
Energy: 0.8670433865402513
Energy: 0.8185648633119844
Energy: 0.8081804545181985
Energy: 0.8688790832872783
Energy: 0.8745816744333555
Energy: 0.9812659789094372
Energy: 0.8711890645356513
Energy: 0.8253253607616255
Energy: 0.8075212619247408
Energy: 0.8709290036127276
Energy: 0.8778873693476078
Energy: 0.9848656387941275
Energy: 0.8713376248569809
Energy: 0.869318587565058
Energy: 0.7299587090336566
Energy: 0.869812295477138
Energy: 0.9800658308854384
Energy: 0.9861446429504241
Energy: 0.8703831314695237
Energy: 0.9518031437385263
Energy: 0.8335460908993662
Energy: 0.9872684025226858
Energy: 0.9812227856373528
Energy: 0.9811265269189049
Energy: 0.9834685191053492
Energy: 0.9857687762088945
Energy: 1.0688105076289998
Energy: 0.9829004643939695
Energy: 0.9836198976032529
Energy: 0.9842464045862357
Energy: 0.9838419848112219
Energy: 0.98248825764563
Energy: 0.8344921106618994
Energy: 0.989757093461592
Energy: 0.9867171537100562
Energy: 1.385572452526334
Energy: 0.9897789654245045
Energy: 0.9909830676173575
Energy: 0.7303642837974297
Energy: 0.9815866725982637
Energy: 0.9858518578411511
Energy: 0.9840640469000067
Energy: 0.9822911988487754
Energy: 0.979071012192948
Energy: 0.7303105244678194
Energy: 0.9802769823940193
Energy: 0.9800134904912233
Energy: 0.9799883097881271
Energy: 0.9803660376625689
Energy: 0.9826599555944386
Energy: 0.730133151705082
Energy: 0.9803162087660565
Energy: 0.9803265393019354
Energy: 0.9800162135485161
Energy: 0.9809023523841379
Energy: 0.9854194107453258
Energy: 1.131505763686601
Energy: 0.9800227621407416
Energy: 0.9797697791283012
Energy: 0.9801421352175849
Energy: 0.9820961057044251
Energy: 0.9799540433034051
Energy: 1.13289785937156
Energy: 0.9865976907413458
Energy: 0.9795458002510423
Energy: 0.9788131428128007
Energy: 0.9818826664344253
Energy: 0.986380225964687
Energy: 1.5449018296099577
Energy: 0.9859945089032691
Energy: 0.987596674696265
Energy: 0.954537980630787
Energy: 0.9867530696290785
Energy: 0.9837547501076855
Energy: 0.7855286991519068
Energy: 0.9850132873952335
Energy: 0.9823174764487662
Energy: 1.0838876808835176
Energy: 0.9830136988378467
Energy: 0.984304577050023
Energy: 0.9084212370949825
Energy: 0.9811086193967404
Energy: 0.9860258524132884
Energy: 0.9517414572998789
Energy: 0.9854662653233827
Energy: 0.9812919657151172
Energy: 1.6269786900645444
Energy: 0.8697831576799271
Energy: 0.952960008862326
Energy: 0.8648900648493258
Energy: 0.8702374196684102
Energy: 0.97902325101323
Energy: 1.6232487807815612
Energy: 0.8721679171150958
Energy: 0.8706064023910765
Energy: 0.8262883822862392
Energy: 0.870794180973875
Energy: 0.8759945559257456
Energy: 0.8171768387485269
Energy: 0.8708592848027057
Energy: 0.8683783047896105
Energy: 0.8242409987565051
Energy: 0.8688447097774515
Energy: 0.9849613203555657
Energy: 1.6311802646687383
Energy: 0.8671451006144792
Energy: 0.7334872061506064
Energy: 0.8048782531168772
Energy: 0.8549057810793209
Energy: 0.8675766940995218
Energy: 1.8622468702018928
Energy: 0.7305449423858574
Energy: 0.7304384431961481
Energy: 0.7300865134480684
Energy: 0.7310675647784484
Energy: 0.9807892939233741
Energy: 1.2969661383608058
Energy: 0.7310083165172022
Energy: 0.7313404737029227
Energy: 0.7268471129062549
Energy: 0.7325766090566813
Energy: 0.8682179761943043
Energy: 1.0750295436200064
Energy: 0.7312083439444484
Energy: 0.7317957910787333
Energy: 0.7313687943170413
Energy: 0.7315345774450575
Energy: 0.983716995201984
Energy: 1.7678747244292288
Energy: 0.7310887335115721
Energy: 0.7305931275095776
Energy: 0.7279052997906041
Energy: 0.7296807773925867
Energy: 0.9753512525502095

minimum gb energy = 0.7220797776258735 eV
minimum distance =  2.29647681808094 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.18514756816424374
Energy: 0.1853799589319822
Energy: 0.4065531258546849
Energy: 0.40847281376625566
Energy: 0.4050741637174275
Energy: 0.1852988220366274
Energy: 0.18769047595826244
Energy: 0.3415609537554006
Energy: 0.34326800017528103
Energy: 0.34514629294795685
Energy: 0.34169791730930066
Energy: 0.34341290098517
Energy: 1.1893164521962287
Energy: 0.35205893927594717
Energy: 0.35758291342704746
Energy: 0.36524588981998807
Energy: 0.35482789387013886
Energy: 0.3464393223465785
Energy: 0.19581390756734796
Energy: 0.35927609538957544
Energy: 0.3575814313510153
Energy: 0.358660756993162
Energy: 0.3573167322335315
Energy: 0.19149424260771272
Energy: 0.19844450229957733
Energy: 0.3661982593244795
Energy: 0.36604214085268627
Energy: 0.367290921978242
Energy: 0.3657554804784672
Energy: 0.1955608233637695
Energy: 1.1888575791907237
Energy: 0.3536819855638899
Energy: 0.35292326147965397
Energy: 0.35743711089204383
Energy: 0.3527520683236949
Energy: 0.34716287291528786
Energy: 0.1886661985582152
Energy: 0.3448230960049531
Energy: 0.34501500068753177
Energy: 0.3598691505953031
Energy: 0.3437432274423608
Energy: 0.34664172631562445

minimum gb energy = 0.18514756816424374 eV
minimum distance =  2.43017212423647 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 1.7897928832768613
Energy: 0.6957356595066475
Energy: 0.6970734225336704
Energy: 0.85032494024734
Energy: 0.6996579453752702
Energy: 0.9293288524165296
Energy: 1.7378218954263407
Energy: 0.69997483215604
Energy: 0.6957190514866279
Energy: 0.6977413096144596
Energy: 0.6959030497531634
Energy: 0.8778505077300476
Energy: 1.3896094805296637
Energy: 0.8747051330114015
Energy: 0.6997825382012706
Energy: 0.7024964826037224
Energy: 0.7001152702342859
Energy: 0.8798664798497515
Energy: 1.3861435567638356
Energy: 0.7951641570806586
Energy: 0.6988613375063517
Energy: 0.6998941521710628
Energy: 0.7918206326651542
Energy: 0.902867386089675
Energy: 1.3937433917735726
Energy: 0.7945177252637387
Energy: 0.6994278284112208
Energy: 0.8001805001653025
Energy: 0.7936799893250732
Energy: 0.9027622573248135
Energy: 1.386265261381378
Energy: 0.8723809681450112
Energy: 0.7920146773115527
Energy: 0.8240693113023349
Energy: 0.7924433625289667
Energy: 0.8778872797127568
Energy: 1.6030505605320606
Energy: 0.9048871181686343
Energy: 0.7949208939206429
Energy: 0.8067569564761116
Energy: 0.7946981707009964
Energy: 0.9080805831889887
Energy: 1.637055651408055
Energy: 0.9068140331314454
Energy: 0.9074468190719535
Energy: 0.7943786921261892
Energy: 0.8039338243369932
Energy: 0.9266194318974746
Energy: 1.601126732318467
Energy: 0.8749276724579367
Energy: 0.795210445212847
Energy: 0.9170658185137844
Energy: 0.7979360060198014
Energy: 0.7976429096256775
Energy: 1.387898437063632
Energy: 0.934166842582667
Energy: 0.9040067829723931
Energy: 0.9127837855063916
Energy: 0.9046805261921638
Energy: 0.9491922225528573
Energy: 1.3845064747782958
Energy: 0.9279288342083382
Energy: 0.9059959801839127
Energy: 0.9243593359550564
Energy: 0.9101083228288526
Energy: 0.9284771082699629
Energy: 1.3960569947268504
Energy: 0.9310675159207941
Energy: 0.9147513283947319
Energy: 0.9116281340622244
Energy: 0.9298696214404834
Energy: 0.9313643637036298
Energy: 1.3862201054877425
Energy: 0.9367199447566221
Energy: 0.9296517806637977
Energy: 0.8862977191745381
Energy: 0.9476628783101799
Energy: 0.9602380819342139
Energy: 1.391523465759791
Energy: 0.9298721599721564
Energy: 0.9394117621239907
Energy: 0.905977371370351
Energy: 0.9302168224471304
Energy: 0.9324723145807595
Energy: 1.3488608948866205
Energy: 0.9275305912849896
Energy: 0.931907537420088
Energy: 0.9074939541176182
Energy: 0.9550746608938891
Energy: 0.9273891190158967
Energy: 1.1464478616097802
Energy: 0.9609054740434887
Energy: 0.9297866040330918
Energy: 0.9221068818659744
Energy: 0.9269412189342713
Energy: 0.9589094682885468
Energy: 1.2581052927585692
Energy: 0.9294292124687297
Energy: 0.9358670610241555
Energy: 0.9339438734114507
Energy: 0.9287511163464255
Energy: 0.9449461284838342
Energy: 1.2648243092137732
Energy: 0.9503239186709502
Energy: 0.9376728019709046
Energy: 0.9611720155830218
Energy: 0.9402284839871956
Energy: 0.9060813765187441
Energy: 1.2595198231651537
Energy: 0.943967036335145
Energy: 0.9296575247325574
Energy: 0.9313908251607833
Energy: 0.931638385186055
Energy: 0.9170498169835862
Energy: 1.0025508414046786
Energy: 0.9065937418793032
Energy: 0.9286880762041549
Energy: 0.9307889683582178
Energy: 0.9309897248039536
Energy: 0.9340181744693749
Energy: 1.0228269809278818
Energy: 0.905513063180464
Energy: 0.9504596812282052
Energy: 0.9757273761523081
Energy: 0.9042508337808784
Energy: 0.8897856914502377
Energy: 1.0044847612538224
Energy: 0.795497766894702
Energy: 0.9054884311761464
Energy: 0.9761670920338786
Energy: 0.8776009303685233
Energy: 0.7957980866836089
Energy: 0.7920416336723453
Energy: 0.9093766183567109
Energy: 0.921867729186828
Energy: 0.9283074028213013
Energy: 0.8056667115203032
Energy: 0.9072756794976797
Energy: 0.7914358194554678
Energy: 0.7956873011543987
Energy: 0.9044912021850499
Energy: 0.9060241595262449
Energy: 0.8772291420569486
Energy: 0.7957793604706557
Energy: 0.822405955966603
Energy: 0.7919869757864011
Energy: 0.8797748113654217
Energy: 0.9519055158854148
Energy: 0.8735601539522412
Energy: 0.7918656187386258
Energy: 0.7991978510462548
Energy: 0.790779695567114
Energy: 0.8777038489841779
Energy: 0.9413910599779807
Energy: 0.7919372530510287
Energy: 0.7001999374257812
Energy: 0.6979090863969493
Energy: 0.6990474977940386
Energy: 0.8754478073539835
Energy: 0.9418726341808464
Energy: 0.7920483414177489
Energy: 0.6992930656243483
Energy: 0.7003969862782556
Energy: 0.7002963535035944
Energy: 0.8789956972433246
Energy: 0.9321780641784885
Energy: 0.6954913586071549
Energy: 0.7000179799794002
Energy: 0.6989550878636427
Energy: 0.6952664049016049
Energy: 0.7017836177096124
Energy: 0.9034648457151966
Energy: 0.7904434955972991
Energy: 0.6969094819131038
Energy: 0.7012575733980271
Energy: 0.6973123712404523
Energy: 0.8216483113132025
Energy: 0.9265061014835679
Energy: 0.6972334071602238
Energy: 0.7930150638348814
Energy: 0.8164731195703546
Energy: 0.7000912595488392
Energy: 0.7979824913479953
Energy: 0.944619326677184
Energy: 0.7001369516956687
Energy: 0.6985058956205715
Energy: 0.7986239991829662
Energy: 0.7962853722414587
Energy: 0.9144364748315533
Energy: 0.9534713012140669
Energy: 0.7958236204959572
Energy: 0.796827999737236
Energy: 0.7894147815178295
Energy: 0.8018731607584765
Energy: 0.9040529873881412
Energy: 0.9274027385403706
Energy: 0.9040983462318308
Energy: 0.7970936516810343
Energy: 1.006872934499012
Energy: 0.91702505319219
Energy: 0.9028486493623498
Energy: 0.9488375078957667
Energy: 0.9057335238448717
Energy: 0.8856018324929044
Energy: 1.00620021484123
Energy: 0.9097287219140925
Energy: 0.9055571905109131
Energy: 0.9744769479136545
Energy: 0.9065678991812863
Energy: 0.9142759494597463
Energy: 1.0031901458710846
Energy: 0.9082212014802623
Energy: 0.9363223761149719
Energy: 0.9506175758908119
Energy: 0.9285899652289739
Energy: 0.9268613154251574
Energy: 1.0127416590086156
Energy: 0.9066965056685767
Energy: 0.9278091846957041
Energy: 0.9272828066539084
Energy: 0.9306424803884407
Energy: 0.9088428381181403
Energy: 1.2206630736913477
Energy: 0.9064384763649681
Energy: 0.952637313872767
Energy: 0.9653646808691015
Energy: 0.9524848182399047
Energy: 0.9043876877768555
Energy: 1.257794428140269
Energy: 0.9296894762164629
Energy: 0.9537971392346163
Energy: 0.9496666644111326
Energy: 0.9284967464379567
Energy: 0.9073892158835535
Energy: 1.2568201496236902
Energy: 0.9332005102840508
Energy: 0.9288672349980712
Energy: 0.9045504446174361
Energy: 0.9636144028164183
Energy: 0.9419723342925237
Energy: 1.3881431299717368
Energy: 0.9321482419746193
Energy: 0.9306963918600375
Energy: 0.9561729242014545
Energy: 0.936237928009538
Energy: 0.9291514543833674
Energy: 1.390273192739083
Energy: 0.9390396530976993
Energy: 0.9299257153208221
Energy: 0.9464402415622127
Energy: 0.9369869056849415
Energy: 0.9290246517700944
Energy: 1.3878105132875171
Energy: 0.9291570504820316
Energy: 0.9381589964760694
Energy: 0.9107467709230851
Energy: 0.9306467549656023
Energy: 0.956625135004874
Energy: 1.1541801832327487
Energy: 0.926579780580372
Energy: 0.9058155184042833
Energy: 0.908868577017141
Energy: 0.9085162818902196
Energy: 0.9437170592348617
Energy: 1.5022779761925376
Energy: 0.9387216815598501
Energy: 0.9433599921949886
Energy: 0.9242194711540758
Energy: 0.9462898292489536
Energy: 0.9310872991284502
Energy: 1.3931002457415262
Energy: 0.9292312621170238
Energy: 0.9059967114840648
Energy: 0.9110735705746623
Energy: 0.9082575497590094
Energy: 0.9415780901150151
Energy: 1.38977998460225
Energy: 0.908589516366563
Energy: 0.8840551605936735
Energy: 0.916715406180894
Energy: 0.9114024697036616
Energy: 0.9102137456925615
Energy: 1.3824866812863281
Energy: 0.9039466856604395
Energy: 0.8859292067215333
Energy: 0.904496067756681
Energy: 0.9035126791506838
Energy: 0.9232960045129994
Energy: 1.3824910533647587
Energy: 0.9039883884200314
Energy: 0.799352148769806
Energy: 0.7878375661821589
Energy: 0.8858302231100407
Energy: 0.9250841319947259
Energy: 1.3872583353460426
Energy: 0.8797853911107228
Energy: 0.7940260399943085
Energy: 0.8157163920999243
Energy: 0.7945108053903963
Energy: 0.9163876745059427
Energy: 1.744181398841293
Energy: 0.7003457161096596
Energy: 0.6968499548619803
Energy: 0.8249203782191913
Energy: 0.6990353154312824
Energy: 0.7973798990905522

minimum gb energy = 0.6952664049016049 eV
minimum distance =  2.29583450165992 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 1.930373767378965
Energy: 0.774814133912377
Energy: 0.7739170294802601
Energy: 0.9456365094515777
Energy: 0.7746347084101611
Energy: 1.0575153817624008
Energy: 1.0510494948561322
Energy: 0.9046075682583935
Energy: 0.7699770183712658
Energy: 0.7688283184529059
Energy: 0.7698424373286213
Energy: 1.0108828298882213
Energy: 0.930530818698179
Energy: 1.010178021999999
Energy: 0.7690639365272508
Energy: 0.7686858264932258
Energy: 0.7720231504185365
Energy: 1.019580566816109
Energy: 1.0883252063190678
Energy: 0.9072542603416182
Energy: 0.772158185062596
Energy: 0.7722533108716132
Energy: 0.8988472205126706
Energy: 1.0415089565701314
Energy: 0.9168343572842629
Energy: 0.905504904788788
Energy: 0.8953975899970644
Energy: 0.9228474061701284
Energy: 0.8965889249939827
Energy: 1.042078511986787
Energy: 1.1197712037300271
Energy: 1.0083320476995397
Energy: 0.9013266907704515
Energy: 0.9288953668637905
Energy: 0.9018171865319096
Energy: 1.018576185939106
Energy: 0.9270823983799451
Energy: 1.0478854345713253
Energy: 0.774565439912512
Energy: 0.909681989322746
Energy: 0.9088772308869689
Energy: 1.0472463345447105
Energy: 1.109072975995598
Energy: 1.0549697791843575
Energy: 0.9135766206823716
Energy: 0.9149617447364007
Energy: 0.9094886429802029
Energy: 1.0432575894507123
Energy: 0.928764838290532
Energy: 1.0093905983384832
Energy: 1.0102371335066183
Energy: 1.0777546106876508
Energy: 1.0115706283326122
Energy: 1.0636186076839438
Energy: 1.1217259682302319
Energy: 1.0999284609635067
Energy: 1.025969461168619
Energy: 1.0678461886737667
Energy: 1.0435643226258193
Energy: 1.0462213991631888
Energy: 1.0631665608040413
Energy: 1.0777880191516678
Energy: 1.0479609798544824
Energy: 1.08958840651989
Energy: 1.045750024319551
Energy: 1.045670454605784
Energy: 0.9255501542031739
Energy: 1.0837142226454708
Energy: 1.0453170474124784
Energy: 1.0229496913918636
Energy: 1.0830861871485418
Energy: 1.0461280589468491
Energy: 1.0746681465771017
Energy: 1.0462391719649802
Energy: 1.0451525359914082
Energy: 1.0215945240146678
Energy: 1.099971095788803
Energy: 0.9093943341403404
Energy: 1.0714209465113058
Energy: 1.0438587146173943
Energy: 1.0937546798527713
Energy: 1.087091715810458
Energy: 1.043459600086838
Energy: 1.011535642146925
Energy: 1.0736189921931785
Energy: 1.0098596692464301
Energy: 1.0628812324845236
Energy: 1.1019612476018426
Energy: 1.0098937405618842
Energy: 1.0097367680208682
Energy: 0.9154990380917002
Energy: 0.9097259963155178
Energy: 1.0568336320956042
Energy: 1.0169380344421575
Energy: 1.0550896039203748
Energy: 0.9503927287464103
Energy: 0.9094621388879992
Energy: 0.9088200173395293
Energy: 1.045417253548418
Energy: 1.077708127691379
Energy: 1.0219074255060616
Energy: 0.7747835239370826
Energy: 0.9253160378959324
Energy: 0.9034526166617713
Energy: 1.0184113860437327
Energy: 1.0454675893275212
Energy: 1.0086615059021506
Energy: 0.885786460568411
Energy: 0.9213566515176875
Energy: 0.8961153137570681
Energy: 1.0164227361075282
Energy: 1.0570078998629877
Energy: 0.9054509037039332
Energy: 0.8942283858150253
Energy: 0.7729479281652724
Energy: 0.7710616341964117
Energy: 1.0180256614381222
Energy: 1.0557505537618521
Energy: 0.9084855924187156
Energy: 0.7716923566099309
Energy: 0.7674013208634105
Energy: 0.7713053604139706
Energy: 1.02137925222885
Energy: 1.1060147504784708
Energy: 0.9984261825637231
Energy: 0.7690302553055598
Energy: 0.7671341352190885
Energy: 0.7698636877606038
Energy: 0.8898280591497166
Energy: 1.110312306071592
Energy: 0.9054602287884098
Energy: 0.770248969227823
Energy: 0.7738856184719045
Energy: 0.7727855683574276
Energy: 1.0544834917121995
Energy: 1.041776501013157
Energy: 0.7734742149405124
Energy: 0.7718348973818486
Energy: 0.9443361327651286
Energy: 0.8859746219917248
Energy: 0.8883825664438777
Energy: 1.0444456588186224
Energy: 0.774579048331525
Energy: 0.8856505050737734
Energy: 0.9240190116771503
Energy: 0.9046037933614268
Energy: 1.0556549020971913
Energy: 1.0808056360398999
Energy: 1.009937786085025
Energy: 0.8935162890560568
Energy: 0.9078001820535803
Energy: 0.9122159228449993
Energy: 1.04411733342198
Energy: 1.043845463888658
Energy: 1.0453541049613495
Energy: 0.9261399915094866
Energy: 1.0558716051987225
Energy: 1.0714273462803958
Energy: 1.0439111840085755
Energy: 1.044710036046257
Energy: 1.0450016018371375
Energy: 1.0108316077271151
Energy: 1.0579196816592482
Energy: 1.0227295694912466
Energy: 1.0466753424617168
Energy: 1.1051118738004502
Energy: 1.050472553393606
Energy: 1.010590229377297
Energy: 1.0723015548984434
Energy: 1.0623300763444619
Energy: 1.0463662297157401
Energy: 1.0848899759656636
Energy: 1.0450375637562046
Energy: 0.9107565050063317
Energy: 0.9248874216066058
Energy: 1.1014918767901682
Energy: 1.0430745512921182
Energy: 1.0214781783262
Energy: 1.074402934935207
Energy: 1.0959667766697625
Energy: 0.7708667053429807
Energy: 1.0442968175509075
Energy: 1.045074114101419
Energy: 1.0652365315751418
Energy: 1.1006667068387923
Energy: 1.0201145936857665
Energy: 0.9267392019249444
Energy: 1.0617795488901105
Energy: 1.0694098644256722
Energy: 1.0667305866994026
Energy: 1.0471489590748182
Energy: 1.0471796434731127
Energy: 0.9317474075122044
Energy: 1.045765581928324
Energy: 1.0216064613852651
Energy: 1.0680569109496567
Energy: 1.0603002053490993
Energy: 1.1029096111217613
Energy: 0.77438350522401
Energy: 1.0458723193177004
Energy: 1.0147903862922838
Energy: 1.064717768607332
Energy: 1.0108943651735744
Energy: 1.0560675852365833
Energy: 1.0527344566366421
Energy: 1.0439304822681776
Energy: 0.9145517017626555
Energy: 0.9094505416505855
Energy: 0.9108797487466143
Energy: 1.054312547501613
Energy: 0.9313964468955863
Energy: 1.0530039316895816
Energy: 0.9075781518119563
Energy: 0.9341262111723102
Energy: 0.9075334101358729
Energy: 1.0650031869124919
Energy: 0.9313045260710743
Energy: 0.888689786371609
Energy: 0.8887854085290119
Energy: 0.9427282536141703
Energy: 0.7733029896419805
Energy: 1.022367999753673
Energy: 1.0551991147701354
Energy: 0.7730929620791888
Energy: 0.7744417831941232
Energy: 0.7754390595746159
Energy: 0.7738532680564313
Energy: 1.0529300853944779

minimum gb energy = 0.7671341352190885 eV
minimum distance =  2.3097591403166 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.2974148789098756
Energy: 0.83061172491247
Energy: 0.8268273091680651
Energy: 0.816792777026078
Energy: 0.825725460601061
Energy: 1.1160398200585102
Energy: 0.8078761956116367
Energy: 0.984331607161155
Energy: 0.8194122030200259
Energy: 0.8147809962823985
Energy: 0.8153692543384125
Energy: 1.123708301257573
Energy: 1.008452407014034
Energy: 1.0973358193037301
Energy: 0.8146165352424595
Energy: 0.8129915401610996
Energy: 0.8166778850958781
Energy: 1.1239118367004937
Energy: 1.2021469124805124
Energy: 0.9904095866841575
Energy: 0.8239428523442983
Energy: 0.8224946264579344
Energy: 0.8247809207106918
Energy: 1.130628311681106
Energy: 1.2034519013157243
Energy: 0.9883226510586431
Energy: 0.986523727498911
Energy: 0.8224829959297351
Energy: 0.8193765876070805
Energy: 1.1311645456683008
Energy: 1.0113206414279898
Energy: 1.11049203534065
Energy: 0.9639667198614701
Energy: 0.9869426598918986
Energy: 0.983595119777713
Energy: 1.1753402085417763
Energy: 1.0297012117407847
Energy: 1.1663023714423288
Energy: 0.9879682542852752
Energy: 0.8276159911160131
Energy: 0.9923950282965502
Energy: 1.1343471086779007
Energy: 0.8111471180212907
Energy: 1.1824099212424877
Energy: 0.9914957978140845
Energy: 1.0043824491222164
Energy: 1.1831363285632646
Energy: 1.1486386080528332
Energy: 1.029417104801552
Energy: 1.1726003220057624
Energy: 1.112329332047751
Energy: 1.0922873720483994
Energy: 1.1573136625619376
Energy: 1.1735622594510655
Energy: 0.8204947174979524
Energy: 1.1776456542984757
Energy: 1.1353590074464537
Energy: 1.0098670209100526
Energy: 1.1648218765498497
Energy: 0.9897898408210655
Energy: 1.018661194694835
Energy: 1.1669081815521645
Energy: 1.1661096760480125
Energy: 0.9949216765461064
Energy: 1.134124600524216
Energy: 1.1125498207949447
Energy: 1.0002091174704368
Energy: 1.1336614741790247
Energy: 1.135168537300545
Energy: 1.126706755355158
Energy: 1.1656970991206295
Energy: 1.1106899310721992
Energy: 1.0042171567863634
Energy: 0.9872329447801642
Energy: 1.1185571378634056
Energy: 1.1191750010710295
Energy: 1.174923412442724
Energy: 0.8257329842343073
Energy: 0.8249684824170929
Energy: 0.9905398610661764
Energy: 1.171598465054315
Energy: 1.218366134481552
Energy: 1.1107533955305589
Energy: 0.985377472664294
Energy: 1.0103602070873225
Energy: 0.8214430627318572
Energy: 1.124333282313046
Energy: 1.2253649774956523
Energy: 0.9695821174799808
Energy: 0.9622313517120377
Energy: 0.8183626171271816
Energy: 0.8248089697559189
Energy: 1.1281884818486807
Energy: 1.1157966291001686
Energy: 0.9862360314822639
Energy: 0.9854122751559601
Energy: 0.8141867618269949
Energy: 0.8187791582003637
Energy: 0.9730410336981455
Energy: 1.2003759017069267
Energy: 0.9846844176732544
Energy: 0.8155184242514323
Energy: 0.8111993097500821
Energy: 0.8128240111769357
Energy: 1.1105602787361992
Energy: 1.2183859673092325
Energy: 0.9627294348890488
Energy: 0.8121947301331336
Energy: 0.8187526797860807
Energy: 0.8195170851959792
Energy: 0.988188726154124
Energy: 1.1600870285446503
Energy: 0.9890813221545023
Energy: 0.8199293111415688
Energy: 0.8286569786484999
Energy: 0.8248569417933944
Energy: 0.9905127139317308
Energy: 1.132267896324574
Energy: 0.8248285923737043
Energy: 0.8249781099676209
Energy: 0.823022269943799
Energy: 0.9644797487294002
Energy: 1.1104982475623677
Energy: 1.2199228863621123
Energy: 0.9886250261622886
Energy: 0.9620347762165646
Energy: 0.8268171587683533
Energy: 0.9845021634615101
Energy: 1.1345498671540732
Energy: 1.2196912732348038
Energy: 1.1663196620531204
Energy: 0.9888394200450713
Energy: 1.0031222394703905
Energy: 0.9909017997782275
Energy: 1.1834173424166041
Energy: 0.9851258316340983
Energy: 1.1841160191283597
Energy: 0.9929034720240654
Energy: 1.183788009761926
Energy: 1.157925439741724
Energy: 1.1683418460743877
Energy: 1.2331513392450977
Energy: 1.157248435057722
Energy: 1.1124067205169794
Energy: 1.001639075880087
Energy: 1.127353717415885
Energy: 1.1784172499923198
Energy: 0.9934454868139074
Energy: 1.1344167427379759
Energy: 1.1336301138590348
Energy: 1.0072175128260514
Energy: 1.135760671961125
Energy: 1.111003442976791
Energy: 1.2009349675403311
Energy: 1.1660333365826867
Energy: 1.1777106676448135
Energy: 1.1847878776694674
Energy: 1.1459909959506458
Energy: 1.1115532504786017
Energy: 1.0071399692062524
Energy: 1.178251397512488
Energy: 1.134156126167962
Energy: 1.18408185702872
Energy: 1.1757959753682214
Energy: 0.9921724250684676
Energy: 1.0059040933985224
Energy: 0.986344030299008
Energy: 1.1201095445648963
Energy: 1.0085134850836166
Energy: 1.157884198862238
Energy: 0.8258815106823995
Energy: 0.8280984755298336
Energy: 0.9904474938831703
Energy: 1.1672340185233614
Energy: 1.0101463320881943
Energy: 1.1128899728219193
Energy: 0.9683444192351297
Energy: 0.8170646025303803
Energy: 0.9656064538207715
Energy: 1.124147139444184
Energy: 1.2785835546332402
Energy: 0.9850037946337383
Energy: 0.8253631690906051
Energy: 0.8190345251993241
Energy: 0.9851104875284353
Energy: 1.1190999090253773

minimum gb energy = 0.8078761956116367 eV
minimum distance =  2.3074999313871 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 1.5689125003771698
Energy: 1.2783607483134325
Energy: 0.8921898272201418
Energy: 1.0817387419993194
Energy: 0.8950255312526426
Energy: 1.2779875293341074
Energy: 0.8591629065861099
Energy: 1.0969271749548917
Energy: 0.8767585716548799
Energy: 0.8758861897260789
Energy: 0.8765020385794147
Energy: 1.264069042157552
Energy: 0.8673431645047585
Energy: 1.0721255399484653
Energy: 0.8754727544270484
Energy: 0.8697006513914074
Energy: 0.8750997617607135
Energy: 1.2465471228433236
Energy: 0.8703000107608195
Energy: 1.0926583280463658
Energy: 0.8898259912096856
Energy: 0.8895400931672277
Energy: 1.0932913258437038
Energy: 1.0960516642353555
Energy: 0.8700810397037144
Energy: 1.1003011429793559
Energy: 1.0905665244556926
Energy: 0.8877194407124236
Energy: 1.0919523753416596
Energy: 1.0962626459654778
Energy: 0.8673996282321706
Energy: 1.2644345441468514
Energy: 1.0716923290270925
Energy: 0.878103161767853
Energy: 1.0712917377324795
Energy: 1.275822583938845
Energy: 0.875337463596038
Energy: 1.272920439126784
Energy: 1.0945403495218606
Energy: 0.8830089767561651
Energy: 1.0941267055817168
Energy: 1.2709265447226812
Energy: 0.8764386751537014
Energy: 1.274419023596489
Energy: 1.2739478281157455
Energy: 0.8709989145587345
Energy: 1.2753640561784696
Energy: 1.2736029874644634
Energy: 0.8889177776681634
Energy: 1.27438311365179
Energy: 1.2436219659301577
Energy: 0.880380160778756
Energy: 1.273346486332536
Energy: 1.2738317514648358
Energy: 0.8828784003101781
Energy: 1.0945346370982938
Energy: 1.2711000575209306
Energy: 0.8836563353852268
Energy: 1.2706760003111863
Energy: 1.09920852356322
Energy: 0.884943298797568
Energy: 1.071681675938965
Energy: 1.2758094514231382
Energy: 0.8680561084620055
Energy: 1.2600407606195547
Energy: 1.0712929015948727
Energy: 0.8852836019562215
Energy: 1.0882148029892194
Energy: 1.0982644029071886
Energy: 1.0997238032456245
Energy: 1.0878417105267015
Energy: 0.878928955018879
Energy: 0.8917481282118886
Energy: 1.0936809024680703
Energy: 1.2569878739412679
Energy: 1.2562725186839638
Energy: 1.0930525422009953
Energy: 0.8908375968332819
Energy: 0.8723518313365796
Energy: 0.8759309254338244
Energy: 1.272372676389473
Energy: 0.8858302177500735
Energy: 1.0708197633503518
Energy: 0.8760244196287839
Energy: 0.8731105010575329
Energy: 0.8756719139168053
Energy: 1.0703034844772565
Energy: 1.0884426951331934
Energy: 1.086892645593056
Energy: 0.8756768659092448
Energy: 0.8974014078661563
Energy: 1.0992557610006164
Energy: 1.2718812476943815
Energy: 0.8828325914517123
Energy: 1.095674389737008
Energy: 0.8939994057776299
Energy: 0.8833981590995131
Energy: 0.8816069732496843
Energy: 1.0716537101135992
Energy: 1.0874469660510735
Energy: 1.0729724839451926
Energy: 1.0866498781169527
Energy: 0.883037595328245
Energy: 1.083809019775794
Energy: 1.2871156600388798
Energy: 0.8688696331595684
Energy: 1.1006663275292707
Energy: 1.0835433615068295
Energy: 0.8817503615031699
Energy: 1.0968294978899047
Energy: 1.269959847322467
Energy: 1.1082401570999145
Energy: 1.2838566183574391
Energy: 1.0957205497257883
Energy: 0.8761594446700257
Energy: 1.2736193474914934
Energy: 1.2703940901824542
Energy: 1.107682465204837
Energy: 1.2854280158118592
Energy: 1.13322702617869
Energy: 0.881714063527072
Energy: 1.2740235220446494
Energy: 1.2723828584254946
Energy: 0.8837357752089794
Energy: 1.2740188061369717
Energy: 1.2440759818703548
Energy: 0.8718945931737635
Energy: 1.2741097413986768
Energy: 1.092250690820974
Energy: 0.8860140702773704
Energy: 1.1014990299850849
Energy: 1.2738333872434524
Energy: 0.8684680922000833
Energy: 1.2470900118137818
Energy: 1.0698087542893169
Energy: 1.0710160768106327
Energy: 1.0715221567036357
Energy: 1.276641258779894
Energy: 0.8606064343271441
Energy: 1.0935654681299793
Energy: 1.09376862784617
Energy: 0.8870278060866639
Energy: 1.0932861510054503
Energy: 1.2566627594785522

minimum gb energy = 0.8591629065861099 eV
minimum distance =  2.32706897285227 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 1.9274977586937059
Energy: 1.4004302602286227
Energy: 1.4646354066793579
Energy: 1.2324522377534164
Energy: 1.4585484879154578
Energy: 1.402985678751549
Energy: 0.9261323918540195
Energy: 1.1929457970481296
Energy: 0.9595483803824574
Energy: 0.9602798917636314
Energy: 0.9589769216428884
Energy: 1.378091569917579
Energy: 0.9846215124457378
Energy: 1.194747794140349
Energy: 0.9403884366654497
Energy: 0.9420946132931848
Energy: 0.9404152063609397
Energy: 1.3901715662525396
Energy: 0.9780422891029952
Energy: 1.2086403358044893
Energy: 0.985431889837614
Energy: 0.9876904153230857
Energy: 0.9827243662226263
Energy: 1.208399240545349
Energy: 0.9796265786791726
Energy: 1.204468324550664
Energy: 1.2060866518270732
Energy: 0.9909864937226057
Energy: 1.2059591888692864
Energy: 1.2026681637021066
Energy: 0.9852834722659171
Energy: 1.3781634960392661
Energy: 1.2012236027625687
Energy: 0.931245861025682
Energy: 1.1985091377069303
Energy: 1.2073534225875127
Energy: 0.9924546899117461
Energy: 1.2053952147502194
Energy: 1.2119660352931545
Energy: 0.9890126220935611
Energy: 1.2096759016414822
Energy: 1.205716997176688
Energy: 0.9884295917018345
Energy: 1.1945592245370538
Energy: 1.381295740260785
Energy: 0.9895278902419142
Energy: 1.1953349322640807
Energy: 1.1951055680093057
Energy: 0.9903613172989347
Energy: 1.210946677739356
Energy: 1.3751201048744568
Energy: 1.37393140941469
Energy: 1.210914806670164
Energy: 1.2417801461932236
Energy: 0.9803176062300105
Energy: 0.9641594315502583
Energy: 1.1954677996601877
Energy: 0.9266065895565364
Energy: 1.1973670840608466
Energy: 0.9643017402298061
Energy: 0.9357884306593568
Energy: 0.9359793474178424
Energy: 1.3792992600323886
Energy: 0.9850250050795251
Energy: 0.9367483123409681
Energy: 0.9363281353804075
Energy: 0.9826299362202677
Energy: 0.9774691685133515
Energy: 1.202672731013075
Energy: 1.1862429734424818
Energy: 1.2037226189615937
Energy: 0.9774989103598172
Energy: 0.9894364683367928
Energy: 1.2113712102849634
Energy: 1.2109169169301088
Energy: 1.186482352638922
Energy: 1.2093134647788655
Energy: 1.237841075655727
Energy: 0.92722458898123
Energy: 1.2003840927517382
Energy: 1.3805428459678697
Energy: 0.9852431903953145
Energy: 1.200290096396768
Energy: 0.9268556291334344
Energy: 0.9912173843633404
Energy: 1.2075662094095745
Energy: 1.2111791136358276
Energy: 0.9909785306482519
Energy: 1.2079570876177252
Energy: 1.2074662358504777
Energy: 1.0133961323630039
Energy: 1.3786218768956795
Energy: 1.2008072621275023
Energy: 1.1996334725653532
Energy: 1.1999804257462694
Energy: 1.232856553392651
Energy: 0.9279422954466567
Energy: 1.206534795358945
Energy: 1.210137135762591
Energy: 0.9930724618135741
Energy: 1.2074892862441304
Energy: 1.3744362009989315

minimum gb energy = 0.9261323918540195 eV
minimum distance =  2.30220697988383 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 2.187257666972631
Energy: 1.011275046253175
Energy: 1.086197867872616
Energy: 0.9683352137747926
Energy: 0.9788055915843659
Energy: 1.2980406267422497
Energy: 1.0190786215683327
Energy: 0.9874536477226789
Energy: 0.9894440721503505
Energy: 0.9861611044317972
Energy: 0.988092832454402
Energy: 1.3594045900795428
Energy: 0.9946879068690622
Energy: 1.2612023649873674
Energy: 0.9886790354890284
Energy: 0.993030870075113
Energy: 0.9893658948867765
Energy: 1.0912718352125357
Energy: 1.2377013356989066
Energy: 1.3272772016087548
Energy: 1.0001964664580465
Energy: 0.9942633327532036
Energy: 1.0036216090123202
Energy: 1.2701514378611574
Energy: 0.9916844773761009
Energy: 1.3269462658291744
Energy: 1.2575122686661513
Energy: 0.9952195732240529
Energy: 1.2567241301991314
Energy: 1.273031814395969
Energy: 0.9976643562347849
Energy: 0.989655463420596
Energy: 1.4402180872883554
Energy: 1.2020499127197213
Energy: 1.4478301473746313
Energy: 1.0019365314659707
Energy: 1.0106037345791659
Energy: 0.9936202811680598
Energy: 1.331198516758972
Energy: 1.060683024620877
Energy: 0.9970514505226326
Energy: 0.9916302721480837
Energy: 0.987042625812292
Energy: 0.9848162424163329
Energy: 0.9864429857916762
Energy: 1.0038275561506016
Energy: 0.9868517544380374
Energy: 0.9844694987678686
Energy: 0.9901313856503303
Energy: 1.0052079357261625
Energy: 1.023404326078532
Energy: 1.338851611159724
Energy: 1.0012782479534958
Energy: 1.0030919146930926
Energy: 1.2054350883839762
Energy: 0.9861023850089242
Energy: 0.9874874636611934
Energy: 1.2833882476415859
Energy: 0.9848804383579116
Energy: 0.9863826088142489
Energy: 1.203039586619222
Energy: 1.1513420326828898
Energy: 1.1147259136608374
Energy: 1.0581355872660887
Energy: 0.9844655244249624
Energy: 0.9864121183557577
Energy: 1.209993912958955
Energy: 0.9973066040418103
Energy: 0.9607901233358473
Energy: 1.0986471868694534
Energy: 1.1116262587309036
Energy: 0.998401053159089
Energy: 1.139085925155625
Energy: 1.1803643786001345
Energy: 0.9586600654339097
Energy: 1.0346007385582123
Energy: 1.0309719027765376
Energy: 1.0402932851701623
Energy: 1.8669355376678318
Energy: 1.1856683542700397
Energy: 1.3150835925291835
Energy: 0.9338960410259652
Energy: 1.1809332665119994
Energy: 1.1626749738802882
Energy: 1.3020160916140677
Energy: 1.1111747281394075
Energy: 0.9692912116930078
Energy: 0.9620201276013686
Energy: 0.9584019134760112
Energy: 1.1122108982572556
Energy: 1.2153118696342997
Energy: 0.9600025471902719
Energy: 0.9582404058377756
Energy: 0.9619766307642872
Energy: 0.9583849626890177
Energy: 1.178311891342909
Energy: 1.0153736704839307
Energy: 1.1187748303566376
Energy: 0.9717896085438639
Energy: 0.9622278785291899
Energy: 0.9654566517992292
Energy: 1.389176075982908
Energy: 1.0134285127707028
Energy: 1.1202604247424774
Energy: 1.0695164836717694
Energy: 1.396276538093948
Energy: 1.119819306608735
Energy: 1.3882404034892115
Energy: 1.2489181632716493
Energy: 1.3015209130865217
Energy: 1.3218662677550803
Energy: 1.016767868844436
Energy: 1.3243512695650241
Energy: 0.9464934952959089
Energy: 1.2437596684797987
Energy: 0.9378342292594471
Energy: 1.1188330037555312
Energy: 1.3896554656660787
Energy: 1.1203353052295684
Energy: 0.9394537933868377
Energy: 1.277942126499375
Energy: 0.9331674062342117
Energy: 1.3696834044086992
Energy: 1.23044745287665
Energy: 0.9403537079204151
Energy: 0.933946966329123
Energy: 1.1614137072792454
Energy: 0.9406781244919084
Energy: 0.9345922953612275
Energy: 0.9344069479968561
Energy: 0.935780515648297
Energy: 0.9335727122154017
Energy: 1.0514335414346607
Energy: 0.937211554377632
Energy: 0.9378001304837389
Energy: 1.0406827438986916
Energy: 0.936147064872269
Energy: 0.9388921976135751
Energy: 1.0479972496280838
Energy: 0.9340436747259351
Energy: 0.9392951893584827
Energy: 1.2210055196121385
Energy: 0.9533212346666079
Energy: 0.9332915364799264
Energy: 1.0413310347916482
Energy: 0.9411777186780373
Energy: 1.3553042821545265
Energy: 1.247773262843474
Energy: 1.2784872997200254
Energy: 0.9418929335463143
Energy: 1.0496548168351165
Energy: 1.3947299420330612
Energy: 1.3953418099269983
Energy: 0.9387291947822088
Energy: 1.395004827277574
Energy: 1.3877313129247548
Energy: 0.9651947934407954
Energy: 1.4096214094161388
Energy: 1.4175899718367588
Energy: 1.0139994230011091
Energy: 1.4092847012668894
Energy: 1.1630897248480565
Energy: 0.9611922810508263
Energy: 1.3163713662932028
Energy: 1.0192769519639209
Energy: 1.0147036588599703
Energy: 1.0180828311718806
Energy: 1.2873859028118868
Energy: 1.0861057631199147
Energy: 1.008114564907154
Energy: 1.0037946389529895
Energy: 1.0058512168835334
Energy: 1.0033095230283993
Energy: 1.417520560161855
Energy: 1.0117418356962868
Energy: 1.0079325978484002
Energy: 1.0175923299818979
Energy: 1.024194897004371
Energy: 1.0059797808789364
Energy: 0.9351793696439762
Energy: 1.0116493628507868
Energy: 1.0124154554403366
Energy: 1.090128358854332
Energy: 1.0416396902700151
Energy: 1.0918331433080994
Energy: 1.0183035052454898
Energy: 1.1752425318131963
Energy: 1.1509464617771468
Energy: 1.1510227516646123
Energy: 1.149992480838314
Energy: 1.1505794686886641
Energy: 1.0890151393564846
Energy: 1.1788148764157655
Energy: 1.0959069445270313
Energy: 1.0098464959662097
Energy: 1.206323138646385
Energy: 1.0097173952211975
Energy: 1.0959955268192172
Energy: 1.5920145369263572
Energy: 1.361692482263226
Energy: 1.1328090089073828
Energy: 1.086438888022467
Energy: 1.3600568641975308
Energy: 1.3591420931025262
Energy: 1.17876663869857
Energy: 1.0974523949499773
Energy: 1.0885879446970823
Energy: 1.1640283172876553
Energy: 1.095824423897644
Energy: 1.1006038679568646
Energy: 0.9559185444581504
Energy: 0.9452637827242094
Energy: 1.1011088243879976
Energy: 1.1359095474014194
Energy: 1.0906109860329969
Energy: 0.9442651942453073
Energy: 0.9394906859018681
Energy: 0.9391449111481177
Energy: 1.0979870709840314
Energy: 1.064418929255764
Energy: 0.9571612769619918
Energy: 0.9393957136112588
Energy: 0.9484635790863473
Energy: 0.9454516774575983
Energy: 0.9431269914687369
Energy: 1.205877541157461
Energy: 1.0089095251489053
Energy: 0.9456147820841785
Energy: 0.942807869712155
Energy: 0.9503663390328944
Energy: 1.42240810825688
Energy: 1.3093207779713376
Energy: 0.9428402949817255
Energy: 0.9871477549309998
Energy: 1.435504869610932
Energy: 1.1566567369059417
Energy: 1.0819380600274664
Energy: 1.2234357358774175
Energy: 0.9425642722013303
Energy: 0.9417344289758517
Energy: 1.177620312619482
Energy: 1.0125594865283838
Energy: 0.9958014534865314
Energy: 1.2086401370997226
Energy: 0.9950381156780154
Energy: 1.0130511031678275
Energy: 1.1935934173817686
Energy: 1.2319562307266874
Energy: 0.986724969853429
Energy: 0.9878022411701459
Energy: 0.9862158201672263
Energy: 1.028240992046409
Energy: 1.1288139584772732
Energy: 0.990772864914946
Energy: 0.9884517884586709
Energy: 1.2279315481155566
Energy: 0.9877326441989431
Energy: 0.9566535615333202

minimum gb energy = 0.9331674062342117 eV
minimum distance =  2.26372296544964 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 1.7889006039350024
Energy: 0.9748721924226698
Energy: 1.0157450837506083
Energy: 1.2577159421034372
Energy: 1.025962128250735
Energy: 0.9687985174051673
Energy: 1.2210806357505086
Energy: 0.9978479135142796
Energy: 0.9975942706165706
Energy: 1.0037192723200838
Energy: 0.9982078306040205
Energy: 1.3035293767817944
Energy: 1.0683215027947708
Energy: 1.146803096097035
Energy: 0.9985445373371715
Energy: 1.0003656991745589
Energy: 1.000638245388825
Energy: 1.1686593508579306
Energy: 1.4489010995595795
Energy: 1.2705934202699285
Energy: 1.0060930813404474
Energy: 1.004075768190198
Energy: 1.1819505966162767
Energy: 1.2681844665636182
Energy: 1.0608821792228869
Energy: 1.149696340415334
Energy: 1.2001652173190331
Energy: 1.3106514759366192
Energy: 1.1386820174158632
Energy: 1.1456454199035855
Energy: 1.039188346140666
Energy: 1.1699736607488667
Energy: 1.4447986489758229
Energy: 1.130507383221533
Energy: 1.4382902101410806
Energy: 1.0436915465991883
Energy: 1.0442683791709426
Energy: 1.0323430585041962
Energy: 1.1385693617990087
Energy: 1.3742947062523627
Energy: 1.0430244211351138
Energy: 1.030468635574112
Energy: 1.0365900399086534
Energy: 1.028304219218549
Energy: 1.2093642362722485
Energy: 1.3832305647186798
Energy: 1.139146599816367
Energy: 1.0289241544752485
Energy: 1.0383397001875914
Energy: 1.0433391169961024
Energy: 1.1938766018717473
Energy: 1.1070009756183343
Energy: 1.2250511074049706
Energy: 1.0444542490267898
Energy: 1.0608997199427197
Energy: 1.2234742254078206
Energy: 1.2180103502715325
Energy: 1.2452461147223843
Energy: 1.21802788159649
Energy: 1.2255453236607472
Energy: 1.1951928351303889
Energy: 1.212526050615769
Energy: 0.8965522782353714
Energy: 1.4401557208159559
Energy: 1.2104003518661886
Energy: 1.207906455813909
Energy: 1.0574126192307127
Energy: 1.2284716797652702
Energy: 0.8936316071500621
Energy: 1.2577220908598907
Energy: 0.8935471119930347
Energy: 1.0613025827659013
Energy: 1.0591098181543026
Energy: 0.8930168323989106
Energy: 0.8942262304352543
Energy: 0.8986792670606175
Energy: 0.893346895585365
Energy: 1.0627849727239267
Energy: 1.6435854792857187
Energy: 1.1599594643709599
Energy: 0.9238739348491399
Energy: 1.0862683001796973
Energy: 0.8959691517193824
Energy: 1.1612134739778346
Energy: 1.0618168435233903
Energy: 0.8948586593374911
Energy: 0.8926618886540357
Energy: 0.8958114268515455
Energy: 0.8946380329776367
Energy: 0.8930419078973937
Energy: 1.2281798174972958
Energy: 1.1655153099248432
Energy: 0.893825743056429
Energy: 0.8952194408317838
Energy: 0.8939429222073569
Energy: 1.0611918052291558
Energy: 1.4489719229675058
Energy: 1.4080291339472342
Energy: 0.8972691583800672
Energy: 1.1267264674362412
Energy: 0.8939310601429148
Energy: 1.4008096012431626
Energy: 1.0898732429136877
Energy: 1.1581422258043006
Energy: 1.1580008612751787
Energy: 1.355914354189751
Energy: 1.1601715761416833
Energy: 1.1588026570786927
Energy: 1.0386260685675552
Energy: 1.2681819277273816
Energy: 1.4440741580316228
Energy: 1.203203380536934
Energy: 1.3914208101307808
Energy: 1.0629932295279825
Energy: 1.0483651793029762
Energy: 1.0321430550760797
Energy: 1.1581826093907652
Energy: 1.3583015577428776
Energy: 1.1559242864923402
Energy: 1.0313872309231344
Energy: 1.0337375956592294
Energy: 1.029353141537363
Energy: 1.3530707395548116
Energy: 1.3582940673941768
Energy: 1.0296533431080865
Energy: 1.0296215924795893
Energy: 1.054254711198245
Energy: 1.0467802250413196
Energy: 1.195596393333637
Energy: 1.1315952455303273
Energy: 1.1650526554641654
Energy: 1.0404035621122463
Energy: 1.083189571481693
Energy: 1.1727022561597782
Energy: 1.1618022859551995
Energy: 1.2455612571887422
Energy: 1.1576322811522117
Energy: 1.168504340729101
Energy: 1.1935075528060677
Energy: 1.2615539747494375
Energy: 1.015081571040137
Energy: 1.3635923637020848
Energy: 1.1565386841462526
Energy: 1.2593401453236874
Energy: 1.0789147523521627
Energy: 1.1785336133268527
Energy: 0.997487347885992
Energy: 1.3709618100696204
Energy: 0.9985028955410834
Energy: 1.1851187389572047
Energy: 1.0849131018688922
Energy: 1.2637773768698732
Energy: 1.2661767958371928
Energy: 0.9989576073554974
Energy: 1.2639091753328309
Energy: 1.1846086871591035
Energy: 1.7864293950827745
Energy: 1.0028710038235267
Energy: 1.0043065253035415
Energy: 1.0385745330627347
Energy: 1.0015382100146173
Energy: 0.9389715710126967

minimum gb energy = 0.8926618886540357 eV
minimum distance =  2.29640792974599 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 1.9297013311446825
Energy: 1.0286328721812263
Energy: 1.033655773683631
Energy: 1.0319282998895087
Energy: 1.0327069530329882
Energy: 1.4355553617061105
Energy: 1.100972280559269
Energy: 1.0163810848532013
Energy: 1.0154780897243245
Energy: 1.01439257418555
Energy: 1.0162131357316928
Energy: 1.2198122499945292
Energy: 1.140981231240727
Energy: 1.093258651956957
Energy: 1.0153953529295567
Energy: 1.015100924561914
Energy: 1.0161679216027646
Energy: 1.015282633727384
Energy: 1.2728504231108542
Energy: 1.4000720935561195
Energy: 1.01565936975795
Energy: 1.025334596123461
Energy: 1.259719679925326
Energy: 1.3997096753690121
Energy: 1.3080200360407321
Energy: 1.2318543266757576
Energy: 1.235231389713118
Energy: 1.0997088518242344
Energy: 1.4122873668333378
Energy: 1.230775820603251
Energy: 0.9637229078346585
Energy: 0.9638680763338394
Energy: 1.4297213632353842
Energy: 0.9590297940493284
Energy: 1.4183428992306675
Energy: 0.9635955714568899
Energy: 0.9768503893516357
Energy: 0.9665862738069075
Energy: 1.232911928571609
Energy: 1.14363068110697
Energy: 0.9645601666071483
Energy: 0.9667334113894864
Energy: 0.9719659406754222
Energy: 0.9649908666888278
Energy: 1.4064706802693432
Energy: 1.1376303277504332
Energy: 0.9646533011724713
Energy: 0.9645153307826149
Energy: 0.9629601667818497
Energy: 0.9624185382618006
Energy: 1.4175359658974058
Energy: 1.2264846871058444
Energy: 1.418024837631999
Energy: 0.9628214189094402
Energy: 1.4115556206003803
Energy: 1.2331857963465211
Energy: 1.4119753195872453
Energy: 1.14661757590451
Energy: 1.4123889035338235
Energy: 1.232523806062065
Energy: 1.516382761326815
Energy: 1.39993162757204
Energy: 1.015677258251833
Energy: 1.0255941530812653
Energy: 1.364456219884905
Energy: 1.3513611207638543
Energy: 1.139893716887166
Energy: 1.2344557735799246
Energy: 1.0170914520337686
Energy: 1.0150759488343801
Energy: 1.01830048708019
Energy: 1.025629002458137
Energy: 1.1417358557956052
Energy: 1.0154135954036099
Energy: 1.0144933769637612
Energy: 1.0148440370012592
Energy: 1.0153139594141816
Energy: 1.1964940682452263
Energy: 1.7168720729467852
Energy: 1.228793007552033
Energy: 1.025084305015054
Energy: 1.0247433869764744
Energy: 1.0274545867934535
Energy: 1.408444108738365
Energy: 1.1408430022883662
Energy: 1.218236715955966
Energy: 1.0146796200333135
Energy: 1.3045609452344462
Energy: 1.0149101624222112
Energy: 1.2183094091500395
Energy: 1.1523003199933655
Energy: 1.0154923033041472
Energy: 1.2177037718135912
Energy: 1.0180228871886416
Energy: 1.2180583287604858
Energy: 1.0182604947379401
Energy: 1.2670842261812703
Energy: 1.01414313867322
Energy: 1.0181261436896005
Energy: 1.1496394988329008
Energy: 1.193595123827345
Energy: 1.0142891789823627
Energy: 1.3000174997343281
Energy: 1.014347822992138
Energy: 1.2174931062489092
Energy: 1.1320077431507884
Energy: 1.0176722487109564
Energy: 1.0145588361223903
Energy: 1.0357804352099667
Energy: 1.0334873207432356
Energy: 1.0618986548955516
Energy: 1.935723834482226
Energy: 1.0292295535050457
Energy: 1.0345514944263916
Energy: 1.014414127879494
Energy: 1.0160643782674457
Energy: 1.0171531218894536
Energy: 1.131880531336662
Energy: 1.0169132039602178
Energy: 1.0153464257520104
Energy: 1.0235388940815948
Energy: 1.01582003548314
Energy: 1.2385145311333277
Energy: 1.1328419175507225
Energy: 1.0163489293386614
Energy: 1.0154310919113618
Energy: 1.0148354983699468
Energy: 1.0146448366036107
Energy: 1.4012659213919045
Energy: 1.2299580339325014
Energy: 1.4003406532050962
Energy: 1.0151830684371899
Energy: 1.100523497355786
Energy: 1.4126278944878603
Energy: 1.2335139548984393
Energy: 1.3039329129718895
Energy: 1.2320686555085183
Energy: 1.4060604456005201
Energy: 1.508225899557493
Energy: 1.4179121626575975
Energy: 0.962817612703498
Energy: 0.9651452435986931
Energy: 1.237811194432938
Energy: 1.429526551229304
Energy: 1.14324788250515
Energy: 1.2355657678554144
Energy: 0.9667849446010308
Energy: 0.9648747529698538
Energy: 0.9667936510062495
Energy: 1.3180939731436652
Energy: 1.1374821646095397
Energy: 1.2368431081720714
Energy: 0.9648364922173398
Energy: 0.9733569808952619
Energy: 0.9655493828419609
Energy: 1.162436126990976
Energy: 1.7268496075599835
Energy: 1.4176217706356595
Energy: 0.9620260676633651
Energy: 0.9635694493180127
Energy: 0.964836603638177
Energy: 1.3980243521175577
Energy: 1.1003805784828666
Energy: 1.4121959073281252
Energy: 1.2314039464947013
Energy: 1.3055508356755066
Energy: 1.2326702080575458
Energy: 1.41223671806968
Energy: 1.0158076696729978
Energy: 1.0189064599862117
Energy: 1.400978127100729
Energy: 0.9609105208573538
Energy: 1.400368809995862
Energy: 1.0154328020318868
Energy: 1.0291424571712935
Energy: 1.0175996870410282
Energy: 1.2326957253196338
Energy: 1.1397280061880686
Energy: 1.0166621186752824
Energy: 1.0167706111503112
Energy: 1.0141766414898217
Energy: 1.0149291060563896
Energy: 1.014539199919363
Energy: 1.1321970198514362
Energy: 1.0158441055955612
Energy: 1.0145364190533808
Energy: 1.0243146473102591
Energy: 1.0306960353967864
Energy: 1.4083277940171186
Energy: 1.6441277666708949
Energy: 1.2277729461626987
Energy: 1.025206367099152
Energy: 1.30340851101735
Energy: 1.0152315038204736
Energy: 1.0173130062696751
Energy: 1.1304879771729797
Energy: 1.2177418913232423
Energy: 1.014723484737732
Energy: 1.069026204833936
Energy: 1.2173651212412475
Energy: 1.0195619052645577
Energy: 1.151926999120291
Energy: 1.2969826136223137
Energy: 1.217805225994593
Energy: 1.1545597029989714
Energy: 1.0196517907040745
Energy: 1.014316672718863
Energy: 1.0141427606266882
Energy: 1.0142070395083982
Energy: 1.018209698075259
Energy: 1.1317765333922678
Energy: 1.217697727265805
Energy: 1.014489540907904
Energy: 1.0189414366709602
Energy: 1.0142005594056454
Energy: 1.0162730455655689

minimum gb energy = 0.9590297940493284 eV
minimum distance =  2.2688244610843 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.9394416394358746
Energy: 0.9391640060419697
Energy: 0.9502587251546453
Energy: 0.9521195189983678
Energy: 1.4008460775113638
Energy: 0.939168164015972
Energy: 0.9392232350007874
Energy: 0.9501832261248718
Energy: 0.9508466159662311
Energy: 0.9507422555105468
Energy: 0.9511170345849217
Energy: 1.105121869827171
Energy: 1.1070020851904971
Energy: 1.1049947970405578
Energy: 0.950836855056812
Energy: 0.9507927198825314
Energy: 0.9506913049046554
Energy: 1.106098276187926
Energy: 1.1020524461840673
Energy: 1.1043398351508864
Energy: 0.9507491335475968
Energy: 0.950485096794963
Energy: 1.1043058518218118
Energy: 1.099881649968556
Energy: 1.1044711177357478
Energy: 1.1068693415122959
Energy: 0.9501750063012069
Energy: 0.9392712443398946
Energy: 0.9504527783726578
Energy: 1.104211180591423
Energy: 0.9507636543734982
Energy: 0.9503658334306678
Energy: 0.9391111301864099
Energy: 0.9416925045214769
Energy: 1.1035579042755672
Energy: 0.9504575723981097
Energy: 0.950951015749358
Energy: 0.9506590826983233
Energy: 1.103840562171996
Energy: 0.9504348257838071
Energy: 1.1089546450519878
Energy: 0.9510425360116155
Energy: 0.9508512995340571
Energy: 0.9508729569204055
Energy: 1.104116663439639
Energy: 1.1074110053717485
Energy: 1.103897540100002
Energy: 0.9509396574469583
Energy: 0.9500965191342946
Energy: 0.950253305272297
Energy: 1.1043414089350132
Energy: 1.1009058203362385
Energy: 1.1036441672073318
Energy: 0.950758321183696
Energy: 0.9390948241728484
Energy: 0.9498225519390476
Energy: 1.1034258691099297
Energy: 1.1038204683774857
Energy: 1.1071447871977873
Energy: 0.9502114379268334

minimum gb energy = 0.9390948241728484 eV
minimum distance =  2.30442499835737 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 1.9385413282211674
Energy: 1.0601588336783867
Energy: 0.9756483209025746
Energy: 0.9824860260315031
Energy: 0.9806872744648844
Energy: 1.0781664359431156
Energy: 0.9507089990287964
Energy: 1.1648986690395071
Energy: 1.163823585537319
Energy: 1.170955539229351
Energy: 1.1666810204473583
Energy: 1.163608343746229
Energy: 0.9660334041149811
Energy: 0.9600144367237861
Energy: 1.1654816223780358
Energy: 1.1704412249702372
Energy: 1.1689614667431703
Energy: 1.1753801301728823
Energy: 1.166545636057482
Energy: 1.1655779466879477
Energy: 1.1702654490085274
Energy: 0.9587926041309085
Energy: 1.074582796795311
Energy: 1.1668302886926925
Energy: 1.1736126972785994
Energy: 1.1656522476607123
Energy: 1.3605908472096124
Energy: 1.1681949563846132
Energy: 1.173937292469729
Energy: 1.1752088646978205
Energy: 1.020161370218772
Energy: 1.019644141019609
Energy: 1.0772808539032799
Energy: 1.075240389542482
Energy: 1.1497530568088272
Energy: 1.0193385036626954
Energy: 1.484196332412729
Energy: 1.1651998889092545
Energy: 1.32292732868684
Energy: 0.965669253188966
Energy: 1.1694792452219833
Energy: 1.1751982135726022
Energy: 1.4794772825595297
Energy: 1.1654010419464258
Energy: 0.9504644929582816
Energy: 0.9509305051987332
Energy: 0.9525794212204489
Energy: 1.165113377988142
Energy: 0.9429783416527137
Energy: 0.951459402883306
Energy: 0.9497726208214109
Energy: 0.95364610294348
Energy: 0.9501392067409347
Energy: 1.394184193017749
Energy: 1.220980174672001
Energy: 1.2733135713840902
Energy: 0.9511711776644605
Energy: 0.956121223052257
Energy: 0.952056902850571
Energy: 1.2597129090520547
Energy: 1.7183241261166489
Energy: 1.37572063641819
Energy: 1.0043664713190597
Energy: 0.9644217067263626
Energy: 1.2551883026461688
Energy: 1.0527578712263161
Energy: 0.9527877551105421
Energy: 1.2547438748891944
Energy: 1.2725513618594304
Energy: 1.0521784828513172
Energy: 1.2731146418478312
Energy: 1.1977294451960137
Energy: 1.042686299261796
Energy: 1.0450612806898893
Energy: 1.2727185268448569
Energy: 1.0515709632208952
Energy: 1.2570792283613317
Energy: 1.0424617264106446
Energy: 1.038680265569591
Energy: 1.0378411345470515
Energy: 1.1382489784150278
Energy: 0.9629972785594525
Energy: 1.0402794437967906
Energy: 1.0407934822722351
Energy: 1.0507801807001491
Energy: 1.0406677640696342
Energy: 0.9422033154083596
Energy: 1.2782989598712566
Energy: 0.9421061008032642
Energy: 1.0459538012114213
Energy: 0.9340024815320971
Energy: 1.0510829120890497
Energy: 0.9413453715913481
Energy: 0.9587687498915105
Energy: 0.9415148669218527
Energy: 0.942274564929783
Energy: 1.8473943042140875
Energy: 0.9344732539355238
Energy: 0.9757661869709271
Energy: 0.9731331908136474
Energy: 0.9751021607394635
Energy: 0.9349093595671643
Energy: 1.3180413746395405
Energy: 1.1205653785262344
Energy: 0.9416521440633078
Energy: 1.0364940218661685
Energy: 0.9430957476905467
Energy: 1.1531344250733733
Energy: 0.933980519670501
Energy: 1.1203328981861005
Energy: 0.9412865573222571
Energy: 0.9430384305800162
Energy: 0.9432599655179476
Energy: 1.2598461053465513
Energy: 1.260177699398261
Energy: 1.2483141308316343
Energy: 0.9419255701616064
Energy: 1.0363883062340054
Energy: 1.1220742059092201
Energy: 1.2477586784153858
Energy: 1.2541674612465612
Energy: 1.2471597064093014
Energy: 1.1632276858249466
Energy: 0.9724668585267097
Energy: 1.2554339518647546
Energy: 1.2481774966334283
Energy: 0.933712746700383
Energy: 0.9422465141080276
Energy: 1.0581536717489721
Energy: 1.3117976005212781
Energy: 1.256950399733324
Energy: 0.9426834832744261
Energy: 1.219461983575137
Energy: 1.3924162953889119
Energy: 1.4505442130444903
Energy: 1.1200860912919792
Energy: 1.4497324090887156
Energy: 1.3925727843413174
Energy: 1.4679580801602423
Energy: 1.4488925017277579
Energy: 0.9547346153287113
Energy: 0.9529466135018836
Energy: 1.1618091786314086
Energy: 1.2554720499359318
Energy: 1.1765025655253136
Energy: 1.0647907621235837
Energy: 0.9494702707559988
Energy: 0.9493278235694688
Energy: 0.9498404633893035
Energy: 1.3938728030599516
Energy: 1.0295066931881425
Energy: 0.9516002683346247
Energy: 0.9497930438764085
Energy: 0.9492160730531258
Energy: 0.950171115188151
Energy: 0.9682991470372616
Energy: 1.714381974282546
Energy: 1.0755706640772718
Energy: 0.9676954830042501
Energy: 0.9659144249003173
Energy: 0.9684410327707663
Energy: 1.053432450549184
Energy: 1.1219089995169178
Energy: 1.0783220754326797
Energy: 1.1345235978395762
Energy: 1.1230160501610813
Energy: 1.0780874452557758
Energy: 1.0776125610118097
Energy: 0.9746442650642837
Energy: 0.9610647534492757
Energy: 1.0803795998417822
Energy: 1.3367179158111606
Energy: 1.1323898598974336
Energy: 0.9684709145868035
Energy: 0.9582224240735937
Energy: 0.9585726135848166
Energy: 1.0725359190926989
Energy: 1.0179794834550189
Energy: 0.962355894494945
Energy: 0.9585606013040104
Energy: 0.9588172993089166
Energy: 0.958465067590083
Energy: 1.1680544311195422
Energy: 1.1692568129656289
Energy: 1.1264429995447072
Energy: 0.9584550501840283
Energy: 0.9674121259385392
Energy: 0.96178253662791
Energy: 1.5255375951688637
Energy: 1.4754814027719334
Energy: 1.1663404026007527
Energy: 0.9684564258917601
Energy: 0.9498576529869892
Energy: 1.1630577092512207
Energy: 1.1834418731925873
Energy: 1.2164261403411962
Energy: 1.1654742961549953
Energy: 1.0512980844150812

minimum gb energy = 0.933712746700383 eV
minimum distance =  2.24354841653146 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 1.592402370319232
Energy: 0.9764127426730326
Energy: 1.1084843215121762
Energy: 1.1257980579662756
Energy: 1.1086238957174395
Energy: 0.9758803951117775
Energy: 1.0742696221585226
Energy: 1.203781783253083
Energy: 1.2105764073734904
Energy: 1.2063755240178013
Energy: 1.2026816925553843
Energy: 1.2713368358441048
Energy: 1.0927906335938329
Energy: 0.9869073933552567
Energy: 1.2004464158205421
Energy: 1.198138320014578
Energy: 1.2012793081663546
Energy: 1.185270695376294
Energy: 1.1754275868098427
Energy: 1.1836273344565058
Energy: 1.1174235303101079
Energy: 1.120407408634795
Energy: 0.9927949937678323
Energy: 1.1889033740359984
Energy: 1.1903929115842578
Energy: 1.183120485185182
Energy: 1.5189534708998933
Energy: 1.100908398864144
Energy: 1.1844510416434246
Energy: 1.182889878030528
Energy: 1.108057636786413
Energy: 1.0980356093954287
Energy: 1.0429273014506266
Energy: 1.9501086687444913
Energy: 1.407905229420891
Energy: 1.1088152778465068
Energy: 1.4139781321769018
Energy: 1.1853186857252238
Energy: 1.2326324812923914
Energy: 0.8965644441980686
Energy: 1.3664952420010785
Energy: 1.1840299944123092
Energy: 1.6036902206079002
Energy: 1.1858159039908862
Energy: 1.0432613174248557
Energy: 1.0463366755537813
Energy: 1.0323436510194233
Energy: 1.3192861493373644
Energy: 1.102361653842319
Energy: 1.0384877278900382
Energy: 1.0344976659563099
Energy: 1.0320830927523699
Energy: 1.0348498362988383
Energy: 1.2114302652327253
Energy: 1.3032697667158741
Energy: 0.9788835511507961
Energy: 1.0319861735102436
Energy: 1.0349675661663509
Energy: 1.0328685940827396
Energy: 0.8909676977802915
Energy: 1.384794783540551
Energy: 0.8902251951257492
Energy: 1.033436171190844
Energy: 1.0692004517941418
Energy: 0.9815442748250176
Energy: 0.8896361912905283
Energy: 1.1088902737018687
Energy: 0.8954473483292228
Energy: 0.8897641905303719
Energy: 1.2322828356927804
Energy: 0.9713705647518524
Energy: 0.9360653689064456
Energy: 0.9305979293196671
Energy: 0.8916304899296127
Energy: 0.8898349330503048
Energy: 1.2323301827982098
Energy: 0.8955591821806249
Energy: 0.8960090291676105
Energy: 1.2114240353728865
Energy: 0.8905285388134805
Energy: 1.1042619112157386
Energy: 1.2406320031242484
Energy: 0.8896977135016441
Energy: 0.8898775439421178
Energy: 1.1441745280943378
Energy: 0.8914773105817121
Energy: 1.3026655758047168
Energy: 1.3053157028782116
Energy: 1.302445284003295
Energy: 0.890770616734713
Energy: 0.9338755111476658
Energy: 1.3034545028387863
Energy: 1.3032173194014316
Energy: 1.3004377270871572
Energy: 1.3036074692105208
Energy: 1.0003590192845746
Energy: 1.9555971470935873
Energy: 1.251602770113097
Energy: 1.2137202488601617
Energy: 1.2227637031110672
Energy: 1.3050243442898122
Energy: 1.038680923863418
Energy: 1.1212361983805164
Energy: 1.245413344689898
Energy: 1.167365733752112
Energy: 1.201356088369478
Energy: 1.4945944601005876
Energy: 1.2471886181724254
Energy: 0.9314113660739304
Energy: 0.912050449172236
Energy: 1.320056059186341
Energy: 1.5980117572066002
Energy: 1.4745992220667739
Energy: 0.9231297451885409
Energy: 0.9230191153942242
Energy: 0.9123216042996904
Energy: 1.49533304142546
Energy: 1.3456455783977015
Energy: 0.9127712010716589
Energy: 0.9116354662518072
Energy: 0.9159115203350873
Energy: 0.9103505826932972
Energy: 1.1714707196017788
Energy: 1.2816621966135096
Energy: 0.909519183795875
Energy: 0.9105796440604633
Energy: 0.927906372795859
Energy: 0.9119997403083988
Energy: 1.2022121183277745
Energy: 1.199903947306405
Energy: 1.2034722465671266
Energy: 0.9115541096629909
Energy: 1.075094917038808
Energy: 1.2687501587276768
Energy: 1.203955823990758
Energy: 1.3909949272738988
Energy: 1.2023734709978247
Energy: 1.2745864606008186

minimum gb energy = 0.8896361912905283 eV
minimum distance =  2.2464194505122 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 1.9300844202417462
Energy: 0.8236412804302631
Energy: 1.0356855829934162
Energy: 1.047174484447416
Energy: 1.0359858419944117
Energy: 1.7034320556004703
Energy: 0.9989702456392565
Energy: 1.3228338320624806
Energy: 1.3223062761025601
Energy: 1.2087400170829412
Energy: 1.3243035145763404
Energy: 1.3226958560427609
Energy: 0.9859409814175913
Energy: 0.9862851691613654
Energy: 1.3261260145234337
Energy: 1.131317003829439
Energy: 1.3220640826611476
Energy: 0.9777931411286237
Energy: 0.977515513599042
Energy: 0.984052261213454
Energy: 1.2103160120216063
Energy: 1.2119584355628112
Energy: 0.98279217277047
Energy: 0.9838113337977998
Energy: 0.9794253113205339
Energy: 0.9862885631853409
Energy: 0.9863463986559792
Energy: 1.220736427423693
Energy: 0.9872873848621823
Energy: 0.9793711658891555
Energy: 1.0495010759345098
Energy: 0.8215378965326052
Energy: 1.0392086598157628
Energy: 1.6038014175408517
Energy: 0.992286366974869
Energy: 0.8233848069694032
Energy: 1.2434925542393411
Energy: 0.9843851366547108
Energy: 1.0517922923171348
Energy: 0.8293776388586159
Energy: 1.2148593170553974
Energy: 1.136702669999922
Energy: 1.2455916112657366
Energy: 1.233795644640204
Energy: 0.9847988552379242
Energy: 0.9892719789582967
Energy: 0.9838718407738537
Energy: 1.137314092298457
Energy: 1.2237062981948286
Energy: 0.9829326026557168
Energy: 0.9889398127715595
Energy: 0.978385036591539
Energy: 0.9850051070735193
Energy: 1.2155081792555242
Energy: 1.208353374236478
Energy: 1.3212141238860862
Energy: 0.9839254581600836
Energy: 0.982753904853497
Energy: 0.9846440262114061
Energy: 1.3198194405819381
Energy: 1.3103189844938372
Energy: 1.3320896328329175
Energy: 0.9841559396970306
Energy: 0.9919159016831085
Energy: 1.3228952376662984
Energy: 1.3225410465148202
Energy: 1.2181744578578186
Energy: 1.2106347129463966
Energy: 1.2249355828181516
Energy: 0.816911006867857
Energy: 1.324044455923845
Energy: 1.2107894312551502
Energy: 1.249305429547902
Energy: 1.0388392315335904
Energy: 1.2251127938831798
Energy: 1.0436819658814165
Energy: 1.2111189564442078
Energy: 1.0380175546615278
Energy: 1.4890646943408548
Energy: 1.3262478914831173
Energy: 0.8217835919337116
Energy: 0.8344254762179718
Energy: 1.3264335050100107
Energy: 1.4990081444785597
Energy: 1.2508303966972323
Energy: 0.8230011326364105
Energy: 0.8285185597661445
Energy: 0.8254986934929964
Energy: 0.8269222715167727
Energy: 1.2223150736673236
Energy: 1.2506538462710308
Energy: 0.821636013855165
Energy: 0.8222869314194328
Energy: 0.8228203741182865
Energy: 0.8218004415219311
Energy: 1.036152108905331
Energy: 1.3071876448239668
Energy: 1.3236903651936587
Energy: 0.8204473349578333
Energy: 0.8224692852114416
Energy: 0.8220224032268076
Energy: 1.321717801506502
Energy: 1.246544751383308
Energy: 1.322932503143355
Energy: 1.322900722393679
Energy: 0.8258280008382008
Energy: 1.3239028390669394
Energy: 1.2103139533613076
Energy: 1.2575181202321346
Energy: 1.0358147780033227
Energy: 0.8218348856400285
Energy: 1.1335273112954467
Energy: 1.0358795735330286
Energy: 1.0361626432426325
Energy: 1.2085168725060687
Energy: 1.3234917974240943
Energy: 1.3229728009283215
Energy: 0.9982395707769074
Energy: 1.3239734110195143
Energy: 1.209456169283935
Energy: 1.132484538361946
Energy: 1.3218182806934904
Energy: 0.9788835837501191
Energy: 0.987337500040902
Energy: 1.0813446393554973
Energy: 1.320213219757521
Energy: 1.21161375888188
Energy: 1.0477100514827815
Energy: 0.9847128512448967
Energy: 0.9788385204416608
Energy: 0.9843013761708006
Energy: 1.2091837035774065
Energy: 1.2202961628281572
Energy: 0.987299722330161
Energy: 0.9846011207108437
Energy: 0.9791039457189804
Energy: 0.9850076085688284
Energy: 1.219254099123768
Energy: 1.7118773174191382
Energy: 1.3068816566597174
Energy: 0.8232833224411111
Energy: 0.8318134436668876
Energy: 0.8210894287824881
Energy: 1.6056331015975192
Energy: 1.0363671972196882
Energy: 1.2184755428347582
Energy: 0.9849405518992731
Energy: 1.2451343716532803
Energy: 0.9842669392854009
Energy: 1.0500877466295289
Energy: 1.002365358539121
Energy: 0.9851356816976083
Energy: 1.1365039974961997
Energy: 1.4876581467121648
Energy: 1.2186632706425429
Energy: 0.9903497519669193
Energy: 0.9797095763580846
Energy: 0.9871257316326253
Energy: 0.984830889324636
Energy: 1.2237783522807955
Energy: 0.9847055165089756
Energy: 0.9858810677803779
Energy: 0.9795646422063926
Energy: 0.9873610107723227
Energy: 1.3229632074621203
Energy: 1.2085175785459397
Energy: 1.0712675514840437
Energy: 0.9862760007123811
Energy: 0.9915711872101924
Energy: 1.1866733248989036
Energy: 1.3240758497999778
Energy: 1.3116131124497803
Energy: 1.3228366797817774
Energy: 0.9840388083289588
Energy: 1.2288692743121181
Energy: 1.3242711665403943
Energy: 1.2090863479914646
Energy: 1.2114436466256364
Energy: 1.2231490736489223
Energy: 0.9792230801868138
Energy: 1.2289185139341479
Energy: 1.210386378400827
Energy: 1.0373992412754913
Energy: 1.2463005245598855
Energy: 1.037464561336364
Energy: 0.9790623359477084
Energy: 0.8238918195115934
Energy: 1.3235080742241419
Energy: 1.3231137113374265
Energy: 1.245476066140302
Energy: 1.3237262082782966
Energy: 0.823872580144794
Energy: 0.826056126287386
Energy: 0.8227265166332627
Energy: 1.3232894460441547
Energy: 1.2504180674020708
Energy: 0.9808331933008816
Energy: 0.823693011952232
Energy: 0.8209672582541165
Energy: 0.8213578387918319
Energy: 1.2504758153837519
Energy: 1.248856526658802
Energy: 0.8217452139515701
Energy: 0.8222088234511662
Energy: 0.8218741987150984
Energy: 0.8257879765691964
Energy: 1.3220875095299693
Energy: 1.0372233670871818
Energy: 0.8225933907091706
Energy: 0.8229484820245526
Energy: 0.8239801666877306
Energy: 1.3221019888012646
Energy: 1.3226851751442588
Energy: 1.2504884875309246
Energy: 1.3231665188084976
Energy: 0.8228507600926374
Energy: 1.9347661512821561
Energy: 1.1781889106338064
Energy: 1.0377535001433549
Energy: 1.0485268931147622
Energy: 1.036245289380561
Energy: 1.1316127099583404

minimum gb energy = 0.816911006867857 eV
minimum distance =  2.24479618311317 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 1.5013528746942493
Energy: 1.4915755628442278
Energy: 0.8979186019947593
Energy: 0.901320219997403
Energy: 0.89839133793683
Energy: 1.4948634475073308
Energy: 1.1793857838619646
Energy: 0.6800119398849215
Energy: 0.6818487277336184
Energy: 0.9081861805689337
Energy: 0.6782531138001145
Energy: 0.9020159212160562
Energy: 0.9000225278922636
Energy: 0.6807791338229491
Energy: 0.6773672554876884
Energy: 0.6088827651193605
Energy: 0.6790788226403045
Energy: 0.9016049705161597
Energy: 1.061186116611132
Energy: 1.072559932228618
Energy: 0.9039080147898092
Energy: 0.9045470418102873
Energy: 0.6792788136954765
Energy: 1.068000171398005
Energy: 0.9001805146202654
Energy: 0.9018995826696254
Energy: 1.0701682426222068
Energy: 0.8991421029961897
Energy: 1.0705968968115194
Energy: 0.9010220178610066
Energy: 0.9006029915769606
Energy: 0.8968596063761096
Energy: 1.3753452315480585
Energy: 1.0547986672868206
Energy: 1.3734282031500569
Energy: 0.8975754132607302
Energy: 1.177014249405749
Energy: 1.0778345740950066
Energy: 1.3748714035510692
Energy: 0.9053345044538122
Energy: 1.0697206965697976
Energy: 1.1787327370945084
Energy: 1.1775106538108737
Energy: 1.0738808009235608
Energy: 0.8999326095478871
Energy: 0.9035064441790671
Energy: 0.9025175978093131
Energy: 1.4926004778378077
Energy: 0.9029440084867888
Energy: 1.3752859849643844
Energy: 0.6766432881309207
Energy: 0.6088891236848681
Energy: 0.6784682980319693
Energy: 0.9010662461858161
Energy: 0.902148314508922
Energy: 0.6803768326211982
Energy: 0.6764759503088162
Energy: 0.9023208398706654
Energy: 0.6793697962701529
Energy: 0.9001992664419057
Energy: 0.9035168846216819
Energy: 1.0738971480828767
Energy: 0.9006700569058526
Energy: 0.9011114689334967
Energy: 1.0697443587501212
Energy: 1.0704994252662945
Energy: 0.904449713157879
Energy: 0.9010314432528779
Energy: 0.902348141219735
Energy: 1.057958850196735
Energy: 0.903529791406423
Energy: 0.8994952743838077
Energy: 0.9049578616176295
Energy: 0.9011442852249661
Energy: 0.9024991370410681
Energy: 0.8986533487011472
Energy: 0.9041380603220152
Energy: 0.8971833892309684
Energy: 1.1776555623243488
Energy: 1.0732732051699632
Energy: 0.8974199918454618
Energy: 0.9024318810581973
Energy: 1.3759282976365872
Energy: 1.4921013672779957

minimum gb energy = 0.6088827651193605 eV
minimum distance =  2.28147227339693 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.8175111742714813
Energy: 0.9515400086850186
Energy: 1.1108797232257408
Energy: 1.1187822126150142
Energy: 1.1110771260073136
Energy: 1.6703878809489014
Energy: 0.950407837510911
Energy: 1.2132312350178365
Energy: 1.0091816727060483
Energy: 1.0227165052301856
Energy: 1.1789541614319181
Energy: 1.219930859541718
Energy: 0.9659110294336058
Energy: 0.9679193270185094
Energy: 1.5367310944908212
Energy: 0.9902606191072293
Energy: 1.373866945241797
Energy: 0.9655909833477613
Energy: 0.9695451773208288
Energy: 0.968418847996623
Energy: 1.2098482491630047
Energy: 1.0235501176822919
Energy: 0.9678755697173534
Energy: 0.9675801725711837
Energy: 0.9673856868284624
Energy: 0.9676955841133702
Energy: 1.157499758660698
Energy: 1.008244456168543
Energy: 0.9682593121968309
Energy: 0.9668755304537988
Energy: 0.9658116961388787
Energy: 1.1045923306954055
Energy: 1.5293483454596242
Energy: 1.0082762261794544
Energy: 1.5312529412669151
Energy: 0.9661941570810592
Energy: 0.9495428890755859
Energy: 0.9456246845019703
Energy: 1.009576707496151
Energy: 1.0085176377453098
Energy: 0.9602222117257816
Energy: 1.2647793107447702
Energy: 0.9488649256455208
Energy: 1.5398640218327055
Energy: 0.9466536802820813
Energy: 0.966491342023365
Energy: 1.2888059456327043
Energy: 1.4424198090689806
Energy: 0.9662828703437452
Energy: 1.3531891341976043
Energy: 1.0084401529038372
Energy: 0.951376708559224
Energy: 1.0082239716393717
Energy: 0.9668261810191033
Energy: 0.9668213421903323
Energy: 1.037455169234943
Energy: 1.0078443590005208
Energy: 0.9513817688048902
Energy: 1.1045935547337327
Energy: 0.9665241599157093
Energy: 1.0410421264101821
Energy: 1.0386874031388678
Energy: 0.9457920760114175
Energy: 0.9683810458153095
Energy: 1.038187411815813
Energy: 1.0380810365182351
Energy: 1.0404919975137543
Energy: 1.1220482076032605
Energy: 0.9675988210719539
Energy: 0.967760605543036
Energy: 1.2655666552311737
Energy: 1.0367498418135357
Energy: 1.0315479958458977
Energy: 0.9658598286733725
Energy: 0.9659045898938278
Energy: 0.9660725640277242
Energy: 0.9661217211499513
Energy: 1.0281407594790006
Energy: 0.9923128176563101
Energy: 1.2579967078713081
Energy: 0.945058466752919
Energy: 0.9465109200872042
Energy: 0.9458016541056706
Energy: 1.3604266055710093
Energy: 1.0330035411435856
Energy: 1.2533541609009542
Energy: 0.9464155829439008
Energy: 0.9446091241792942
Energy: 1.154010988929601
Energy: 1.155003495848866
Energy: 1.0337066766892955
Energy: 1.0319179397911364
Energy: 0.943861010667008
Energy: 1.7152554834813791
Energy: 0.9456464207329511
Energy: 1.0321585348098985
Energy: 1.0341335109971428
Energy: 0.9459967157316655
Energy: 1.451249170888809
Energy: 0.9445613276211717
Energy: 1.3474553270808212
Energy: 0.9461123241315227
Energy: 0.9907124782650146
Energy: 1.4481116594440187
Energy: 0.9446626401346461
Energy: 0.9482136377080161
Energy: 1.2058521765870311
Energy: 1.4403473972820255
Energy: 1.033686268893112
Energy: 1.2851103355503337
Energy: 0.9669904186280364
Energy: 0.9459411798104453
Energy: 1.0199907367612076
Energy: 1.1645632769087968
Energy: 1.032923911205794
Energy: 1.1683238748109346
Energy: 1.0598054684195386
Energy: 1.0235515149384524
Energy: 1.0614468077301469
Energy: 1.0368685337390187
Energy: 1.0357540833633747
Energy: 1.5130578531603327
Energy: 1.019431307494683
Energy: 0.9657700446121864
Energy: 1.028915533383349
Energy: 1.5081328682625046
Energy: 1.0316147112840666
Energy: 1.0334630895823889
Energy: 1.017260917072268
Energy: 0.9507115532708182
Energy: 1.1099073524679954
Energy: 1.0339079218747396
Energy: 0.9670400303310176
Energy: 0.9675452121717075
Energy: 1.4435225686657986
Energy: 1.0512346619029407
Energy: 0.9666315773172179
Energy: 0.9669738233790384
Energy: 0.9500917432054014
Energy: 1.1007898064048516
Energy: 1.6459545348752447
Energy: 0.9458272024564756
Energy: 1.0859353772139937
Energy: 1.0566447387774285
Energy: 0.9501881591437468
Energy: 1.2028830212204624
Energy: 0.9673417816837315
Energy: 1.0174775087550418
Energy: 0.9666265980174353
Energy: 1.0534033224269235
Energy: 0.9683351905645488
Energy: 1.0178963932886826
Energy: 1.0165073799920128
Energy: 1.018364959481122
Energy: 1.0171719976242979
Energy: 0.9667622629750603
Energy: 0.967010284406544
Energy: 1.167541585223729
Energy: 1.017185302104519
Energy: 1.0186245505634077
Energy: 1.1331937629241626
Energy: 0.9678702494732532
Energy: 0.9674851745325203
Energy: 0.9694333287645475
Energy: 1.2781430724315732
Energy: 1.0344440013704344
Energy: 0.9695080383157109
Energy: 0.9681286040142121
Energy: 0.9686611810377154
Energy: 0.9673634486105995
Energy: 1.0248809308709506
Energy: 1.0620145319890624
Energy: 0.9676721891434679
Energy: 0.9664014780584428
Energy: 0.969741647081373
Energy: 1.2127236199065476
Energy: 1.1692977840592138
Energy: 1.0603326525902386
Energy: 1.2286762279743617
Energy: 0.9669866721357612
Energy: 1.8175358333437082
Energy: 1.3242190074703635
Energy: 1.0174827268918536
Energy: 1.103267547343619
Energy: 1.079962438933177
Energy: 1.392809989259325

minimum gb energy = 0.943861010667008 eV
minimum distance =  2.25663678746011 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.7693142556411896
Energy: 1.6690277264855873
Energy: 1.1166884534963684
Energy: 1.1167460053716858
Energy: 1.1166022273679213
Energy: 1.6681587516220733
Energy: 1.0325656579169833
Energy: 1.134857171282636
Energy: 1.140218720833314
Energy: 1.0497224334635384
Energy: 1.1099566287235731
Energy: 1.110600758232271
Energy: 1.052439264294344
Energy: 1.1611151393693062
Energy: 1.111284266562417
Energy: 1.0339894461411614
Energy: 1.1096386522194972
Energy: 1.0505428780156998
Energy: 1.0504026457095799
Energy: 1.0503817885444617
Energy: 1.0511620706325713
Energy: 1.0526587669562553
Energy: 1.0519652830736932
Energy: 1.0502140273498861
Energy: 1.0508004938488682
Energy: 1.0500772424850506
Energy: 1.0506647217223013
Energy: 1.0507471629209113
Energy: 1.0499717675224907
Energy: 1.050597451807408
Energy: 1.050003401003635
Energy: 1.163433201478258
Energy: 1.3850769108837613
Energy: 1.0514296735476794
Energy: 1.4221437920614142
Energy: 1.0508398985152072
Energy: 1.0832852662326091
Energy: 1.110381467645226
Energy: 1.0502839976937002
Energy: 1.0499237271820396
Energy: 1.0501638952944292
Energy: 1.110911617325333
Energy: 1.4018004400562931
Energy: 1.0504280057671482
Energy: 1.050625857893741
Energy: 1.1155138680270704
Energy: 1.0501034394618787
Energy: 1.1129442968750332
Energy: 1.0515784756409323
Energy: 1.0511601555118597
Energy: 1.389107262883128
Energy: 1.032802715987902
Energy: 1.3852764488382738
Energy: 1.0499675235801356
Energy: 1.0497695811162757
Energy: 1.0503740334273741
Energy: 1.11735197789728
Energy: 1.0324434967092389
Energy: 1.1111314962283443
Energy: 1.0541749000571765
Energy: 1.0337119146491478
Energy: 1.1122638391679975
Energy: 1.1618796875777297
Energy: 1.0494949453323128
Energy: 1.1120052155145694
Energy: 1.1103664335214931
Energy: 1.0336862733182826
Energy: 1.1124259470182127
Energy: 1.0503929356038135
Energy: 1.0510883800434927
Energy: 1.0517805917546965
Energy: 1.1102110647057393
Energy: 1.0498918294976605
Energy: 1.0525316582804067
Energy: 1.0515761357644682
Energy: 1.0509138613218167
Energy: 1.0503125950133219
Energy: 1.049756012365058
Energy: 1.0514126964543589
Energy: 1.1116127495008168
Energy: 1.1635655021008577
Energy: 1.0527932900608579
Energy: 1.1610062219557418
Energy: 1.386200548022755
Energy: 1.0519717075916255
Energy: 1.050610376112857
Energy: 1.1373331045351722
Energy: 1.0491875829770834
Energy: 1.113054439980474
Energy: 1.0513491365282388
Energy: 1.1162680030902592
Energy: 1.117704566600104
Energy: 1.1168443367218464
Energy: 1.0849893237176638
Energy: 1.117526352141044
Energy: 1.115799120864007
Energy: 1.032646739997376
Energy: 1.0502729905474208
Energy: 1.138125498265956
Energy: 1.0508368159251469
Energy: 1.1124158952977141
Energy: 1.0504266776236737

minimum gb energy = 1.0324434967092389 eV
minimum distance =  2.29467437850669 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.9388602122761047
Energy: 1.0919281811292927
Energy: 1.1608607443933032
Energy: 1.1613306869487086
Energy: 1.1606029388173191
Energy: 1.6716843110047164
Energy: 1.0857072370686514
Energy: 1.1885402328230663
Energy: 1.1480253585872253
Energy: 1.1684834459514746
Energy: 1.14860024119925
Energy: 1.1345994077407657
Energy: 1.1291819616264664
Energy: 1.13025697601165
Energy: 1.3774450699994372
Energy: 1.1342814588252108
Energy: 1.1627113507142508
Energy: 1.1310549707667361
Energy: 1.1340654190416746
Energy: 1.1287525057839332
Energy: 1.0650851067739628
Energy: 1.1436845622878475
Energy: 1.2716920579913362
Energy: 1.1322361200922155
Energy: 1.1286249231488004
Energy: 1.2732546029781076
Energy: 1.1736948635660576
Energy: 1.1415076167928564
Energy: 1.208960033369499
Energy: 1.2410624425189771
Energy: 1.134699043298075
Energy: 1.103042621180886
Energy: 1.0730870111543354
Energy: 1.0730355261127766
Energy: 1.0770470018422997
Energy: 1.1339170638909088
Energy: 1.1369664756287696
Energy: 1.162973793709756
Energy: 1.1640016770888382
Energy: 1.1116506252951723
Energy: 1.1944123454651678
Energy: 1.167150645666894
Energy: 1.1358790352851493
Energy: 1.262030239989292
Energy: 1.1582769374882727
Energy: 1.0725478923106306
Energy: 1.045561594510286
Energy: 1.137058120681382
Energy: 1.1033468783160643
Energy: 1.1068162536612203
Energy: 1.2102690296465135
Energy: 1.1281113870955002
Energy: 1.1083021528818569
Energy: 1.1064496318269907
Energy: 1.1042635844286546
Energy: 1.1036946382833595
Energy: 1.0167203278088306
Energy: 1.1014718345958252
Energy: 1.0655039070825796
Energy: 1.1050320778302511
Energy: 1.0648454783847061
Energy: 1.0199019131210922
Energy: 1.0771291918830377
Energy: 1.0728556699879577
Energy: 1.0413615344457388
Energy: 1.3731959507588065
Energy: 1.0631886865948437
Energy: 1.070060790611436
Energy: 1.0443522314260802
Energy: 1.0747814135808926
Energy: 1.0699239787886567
Energy: 1.0681415034901405
Energy: 1.0682520336793322
Energy: 1.0657385980978376
Energy: 1.1235407949704284
Energy: 1.109298566336755
Energy: 1.3618001077407154
Energy: 1.0674972491743886
Energy: 1.065222320686888
Energy: 1.1193600938004353
Energy: 1.1156728333605108
Energy: 1.0675248574931064
Energy: 1.198781068555513
Energy: 1.0682200750335786
Energy: 1.1344557963350674
Energy: 1.3039565901482837
Energy: 1.2420840323005535
Energy: 1.0735485209247841
Energy: 1.2383325215918317
Energy: 1.2694800961048505
Energy: 1.1349777938573498
Energy: 1.2102175119563783
Energy: 1.2590336398533646
Energy: 1.2451339917925517
Energy: 1.2623528056325057
Energy: 1.1367711212626224
Energy: 1.1394605849656583
Energy: 1.0679048035304015
Energy: 1.097879028449119
Energy: 1.0963686347669144
Energy: 1.0971118836638059
Energy: 1.2223666378360574
Energy: 1.1457261691581044
Energy: 1.5394361840422301
Energy: 1.0692268709158608
Energy: 1.070283159319442
Energy: 1.2286906474497674
Energy: 1.541325750532138
Energy: 1.1379408549414332
Energy: 1.1473181116111182
Energy: 1.2403241714504383
Energy: 1.1367041217405889
Energy: 1.1615110852911816
Energy: 1.1410946419943409
Energy: 1.1674509576794059
Energy: 1.1688683857128928
Energy: 1.1705242080329037
Energy: 1.1616534799464564
Energy: 1.1735628531675697
Energy: 1.1698584720794638
Energy: 1.0854570777608148
Energy: 1.1904587126351185
Energy: 1.170604964928878
Energy: 1.135554595247008
Energy: 1.1488291021336443
Energy: 1.1463256072223578

minimum gb energy = 1.0167203278088306 eV
minimum distance =  2.28952739844346 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.4422048274713228
Energy: 1.0709829238532094
Energy: 1.1339902577876566
Energy: 1.1355346966236632
Energy: 1.132914855346879
Energy: 1.6676725590322243
Energy: 1.0832848118028144
Energy: 1.2246578960754027
Energy: 1.0986166021231178
Energy: 1.0849159671355428
Energy: 1.2269548144331284
Energy: 1.087387132591852
Energy: 1.0774597907568044
Energy: 1.0565319319871818
Energy: 1.066814849766489
Energy: 1.0553866863336594
Energy: 1.0582302405769022
Energy: 1.0547690705665045
Energy: 1.058929786710765
Energy: 1.058318443232134
Energy: 1.214778609444026
Energy: 1.0845582989862872
Energy: 1.1857017189878796
Energy: 1.0569298988410125
Energy: 1.052403847801959
Energy: 1.2011292129806843
Energy: 1.154859245508528
Energy: 1.101967442672175
Energy: 1.196649300071116
Energy: 1.2000635556799737
Energy: 1.0586321483470222
Energy: 1.1393079069923082
Energy: 1.136641816645271
Energy: 1.0840006309352894
Energy: 1.1371586786343995
Energy: 1.1655626743593126
Energy: 1.074977221214674
Energy: 1.1981558171937603
Energy: 1.182695164293783
Energy: 1.0853011869374274
Energy: 1.2031368792613708
Energy: 1.136522698146354
Energy: 1.0755490954474687
Energy: 1.2144302480350744
Energy: 1.1543416482187236
Energy: 1.0842079892113639
Energy: 1.2045752798875144
Energy: 1.0549193694555035
Energy: 1.056608829161009
Energy: 1.0550602309538577
Energy: 1.057329766068864
Energy: 1.0591546116057062
Energy: 1.0589808044987052
Energy: 1.05682845281275
Energy: 1.0753504970176826
Energy: 1.0842083539641503
Energy: 1.121400321859005
Energy: 1.058087355776793
Energy: 1.0851287973422588
Energy: 1.054757621109298
Energy: 1.0560374591833817
Energy: 1.0857522005584561
Energy: 1.1338741069841234
Energy: 1.1344597346910645
Energy: 1.134797520048482
Energy: 1.3763594966467672
Energy: 1.1354116272214305
Energy: 1.0985757032857901
Energy: 1.1339379282191633
Energy: 1.133022150512445
Energy: 1.0875383379521464
Energy: 1.1009144020681398
Energy: 1.1315901045132881
Energy: 1.056882912367323
Energy: 1.054500277944381
Energy: 1.0515941881292916
Energy: 1.0847404027824379
Energy: 1.0550647936004665
Energy: 1.1322386440943264
Energy: 1.0851044383426618
Energy: 1.0549713994211618
Energy: 1.0523321486301407
Energy: 1.1013324134954325
Energy: 1.0869563790303989
Energy: 1.052883598090318
Energy: 1.0853864958336417
Energy: 1.0555876283148442
Energy: 1.0554077064003897
Energy: 1.085931229344093
Energy: 1.0571488973539018
Energy: 1.0547794930451835
Energy: 1.0565149536683045
Energy: 1.062172217062465
Energy: 1.060941570894927
Energy: 1.0601392274618742
Energy: 1.19531035614154
Energy: 1.1004387869101981
Energy: 1.154176505264629
Energy: 1.2706744185921701
Energy: 1.0520884514308608
Energy: 1.2118268565044146
Energy: 1.180193442303118
Energy: 1.0835926037960497
Energy: 1.1841619490204216
Energy: 1.1966064692774105
Energy: 1.0602998242772763
Energy: 1.1591687758292193
Energy: 1.138073502533585
Energy: 1.0869441799216246
Energy: 1.1834346868261367
Energy: 1.1584119646137065
Energy: 1.058585462255111
Energy: 1.1588553289207266
Energy: 1.1375758761725532
Energy: 1.1004008420990634
Energy: 1.1546420030377118
Energy: 1.2660218659100502
Energy: 1.0551554929616527
Energy: 1.2611038794697993
Energy: 1.1800769449301527
Energy: 1.087923255472948
Energy: 1.0555536814550308
Energy: 1.0589999109258217
Energy: 1.0605324042593538
Energy: 1.0561011779452731
Energy: 1.1738080667108652
Energy: 1.0520806395269806
Energy: 1.0556092154860286
Energy: 1.0563010474453978
Energy: 1.0763220819921258
Energy: 1.0556212041248492
Energy: 1.05551094337121
Energy: 1.0552820867007389
Energy: 1.054521773311222
Energy: 1.0548623028149924
Energy: 1.1359969964913497
Energy: 1.0997583480038857
Energy: 1.0549677015599686
Energy: 1.1319683452513933
Energy: 1.133038393015129
Energy: 1.2124002702181271
Energy: 1.0553379611036506
Energy: 1.085025046325966
Energy: 1.1356124321206855
Energy: 1.0658746852311578
Energy: 1.225676290357749
Energy: 1.0881005822364038
Energy: 1.0547425747411687
Energy: 1.0846274935689904
Energy: 1.0541038139796604

minimum gb energy = 1.0515941881292916 eV
minimum distance =  2.31251746218784 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.3990282293858458
Energy: 1.065758354819972
Energy: 1.1613333326437885
Energy: 1.1620975591524552
Energy: 1.1614198256718138
Energy: 1.369085918727355
Energy: 1.0399450819207086
Energy: 1.0512351779214435
Energy: 1.167173612455536
Energy: 1.175911983551146
Energy: 1.1508271139000552
Energy: 1.0873514859556996
Energy: 1.0511147467741384
Energy: 1.0511084415765772
Energy: 1.0290307437312385
Energy: 1.0328099610690806
Energy: 1.0552479138792723
Energy: 1.051514646036391
Energy: 1.0505415126232815
Energy: 1.0511827118227055
Energy: 1.144198371432223
Energy: 1.0639610089851894
Energy: 1.1444301339761418
Energy: 1.0509304212975155
Energy: 1.0312662177181564
Energy: 1.0476324717189667
Energy: 1.1366737710307282
Energy: 1.0476509746871625
Energy: 1.1382845191682593
Energy: 1.1390503619250658
Energy: 1.0555456999443888
Energy: 1.1508405932049974
Energy: 1.04811202982091
Energy: 1.0574018001931085
Energy: 1.0481877468747864
Energy: 1.1522030241087577
Energy: 1.064464425191545
Energy: 1.1899777772308433
Energy: 1.1820760527138228
Energy: 1.1459794696439327
Energy: 1.1919117607787075
Energy: 1.1629937297338298
Energy: 1.0644406083776745
Energy: 1.162986411421778
Energy: 1.2186351818867385
Energy: 1.0482843805155833
Energy: 1.1861995459937649
Energy: 1.0554189851016123
Energy: 1.05623653557313
Energy: 1.1199501412408184
Energy: 1.0904904217237334
Energy: 1.038577390894258
Energy: 1.122229361237681
Energy: 1.089565355656052
Energy: 1.0637759454380156
Energy: 1.119599483743119
Energy: 1.2176035938329006
Energy: 1.0369853930886161
Energy: 1.0526345083773454
Energy: 1.0543105042534493
Energy: 1.0333485757763579
Energy: 1.0464988625373968
Energy: 1.0369760742058385
Energy: 1.036915892992182
Energy: 1.0429622602874273
Energy: 1.0253162919599714
Energy: 1.0308253348308716
Energy: 1.040009942083178
Energy: 1.0321513495382193
Energy: 1.0378313776065484
Energy: 1.020259557558454
Energy: 1.0642861312376826
Energy: 1.097438986698534
Energy: 1.0677925451412014
Energy: 1.3687479258405897
Energy: 1.0626896295279822
Energy: 1.0875689972686275
Energy: 1.069372338193941
Energy: 1.0147141315747241
Energy: 1.0574980157485256
Energy: 1.0161840353905816
Energy: 1.1180528717186875
Energy: 1.014887889123526
Energy: 1.0569029631539606
Energy: 1.0345114046344093
Energy: 1.0161020273993837
Energy: 1.0388052243707253
Energy: 1.0390100106904883
Energy: 1.0385599427360783
Energy: 1.0171192307998473
Energy: 1.0469966334767922
Energy: 1.0174184459696882
Energy: 1.0172687412658008
Energy: 1.0385842087447577
Energy: 1.0163349096011116
Energy: 1.0143663584833762
Energy: 1.0137902509436296
Energy: 1.0223748679054496
Energy: 1.0359549240846235
Energy: 1.0652312383046223
Energy: 1.0606030029136504
Energy: 1.0486763688958207
Energy: 1.0581890499284836
Energy: 1.030545071585909
Energy: 1.1106696009121013
Energy: 1.065316158353129
Energy: 1.01442031636136
Energy: 1.0307540805505793
Energy: 1.031194487498674
Energy: 1.2789329515861991
Energy: 1.1244441904183387
Energy: 1.043553350744627
Energy: 1.1249159657353964
Energy: 1.2786210321884925
Energy: 1.0580751499701455
Energy: 1.1604638957045796
Energy: 1.0440287845711944
Energy: 1.0462593893811767
Energy: 1.0433633189639868
Energy: 1.1608943568867776
Energy: 1.0583498853195943
Energy: 1.1800995507955765
Energy: 1.193570074915993
Energy: 1.0396847707674122
Energy: 1.188990438575094
Energy: 1.1524279012102683
Energy: 1.0554904195616246
Energy: 1.1864438402190167
Energy: 1.179154422491012
Energy: 1.0436902864255524
Energy: 1.1797545521741781
Energy: 1.1808681139343706
Energy: 1.058730709849991
Energy: 1.0587865749002074
Energy: 1.0587580333365332
Energy: 1.0441156339605422
Energy: 1.1440034908544885
Energy: 1.0594625216306224
Energy: 1.0548730647772822
Energy: 1.0594699841814703
Energy: 1.2606637014125048
Energy: 1.0439028394734058
Energy: 1.142278832282756
Energy: 1.059065338935716
Energy: 1.1173975630386104
Energy: 1.043612693635776
Energy: 1.0671308795040593
Energy: 1.0473445326413267
Energy: 1.0446112027157424
Energy: 1.0583085901095886
Energy: 1.0335261350829943
Energy: 1.0481226232713485
Energy: 1.0443494967992126
Energy: 1.043971759249841
Energy: 1.0445918286234723
Energy: 1.0467176500993838
Energy: 1.0608652115898582
Energy: 1.05563233141951
Energy: 1.0510229352260607
Energy: 1.1183276835432858
Energy: 1.087280575176827
Energy: 1.0508601404552285
Energy: 1.1018651766145342
Energy: 1.052396966184809
Energy: 1.037941164210408
Energy: 1.03257979617444
Energy: 1.104135892874474
Energy: 1.1023436525267578
Energy: 1.1515690970603643
Energy: 1.151744914156883
Energy: 1.1439160042466994
Energy: 1.1620217468800984
Energy: 1.1485643362921518
Energy: 1.0449706497521611

minimum gb energy = 1.0137902509436296 eV
minimum distance =  2.30093371392046 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 1.574556557573155
Energy: 0.9934996129765248
Energy: 1.0389357593465522
Energy: 1.0531339149823096
Energy: 1.0393488798296668
Energy: 1.0184417735033262
Energy: 1.039501412912353
Energy: 1.0009393525062416
Energy: 1.0416154759187195
Energy: 1.067423480389982
Energy: 1.006965766691842
Energy: 1.0402607032559787
Energy: 1.0058370219519204
Energy: 1.0010253541457552
Energy: 1.0219255793863582
Energy: 0.9938457967159152
Energy: 1.0032127152133385
Energy: 1.0009527938363687
Energy: 1.01163932018739
Energy: 1.0000031980677477
Energy: 1.100186734857538
Energy: 1.0142835281320002
Energy: 1.0976246529856324
Energy: 1.0102206248867815
Energy: 1.3623835513604583
Energy: 1.0000225238032758
Energy: 1.001647486753157
Energy: 1.000058489715839
Energy: 0.9983794912740914
Energy: 1.1484605835687063
Energy: 1.01100815502365
Energy: 1.1301813123949274
Energy: 0.9974439588716256
Energy: 0.9979915019285327
Energy: 0.9984773597089467
Energy: 1.1007951104094829
Energy: 1.0128893911473875
Energy: 1.1322740092959875
Energy: 1.1408200051193313
Energy: 1.1214655039126655
Energy: 1.128772604377209
Energy: 1.075487355969156
Energy: 1.006437239034023
Energy: 1.076713411737563
Energy: 1.1777757009526397
Energy: 0.9990695700152404
Energy: 1.1527843622738698
Energy: 1.0029668228338617
Energy: 1.0115949570654952
Energy: 1.1243591329733802
Energy: 1.1292486342772008
Energy: 0.9976134990243117
Energy: 1.128949303682397
Energy: 1.0771633683285777
Energy: 1.013275969126449
Energy: 1.130313400743939
Energy: 1.136011506351352
Energy: 0.9975801893686427
Energy: 1.1408265567948541
Energy: 1.0964407663315034
Energy: 0.999356328282031
Energy: 1.0905663844671012
Energy: 1.0016829409420933
Energy: 1.0019835249815323
Energy: 1.0943263214998418
Energy: 1.0898999076262847
Energy: 1.0053203549962755
Energy: 1.096870289567955
Energy: 1.0897989020361791
Energy: 0.9973165827677166
Energy: 1.090542729921025
Energy: 1.000338800623279
Energy: 1.0046693785113865
Energy: 1.002874592123949
Energy: 1.000167707416624
Energy: 0.9978146144279235
Energy: 1.0007321970795413
Energy: 1.0073504685795078
Energy: 1.0000100738950433
Energy: 0.9982175208543953
Energy: 1.0003218345565197
Energy: 0.9977867827490268
Energy: 1.0005816447844929
Energy: 1.0009436393749804
Energy: 1.059169737120972
Energy: 1.071253033925201
Energy: 0.9971132397888495
Energy: 1.0522605264048999
Energy: 1.0532493155766176
Energy: 1.0250081161939277
Energy: 1.0609453499344441
Energy: 1.002806227204572
Energy: 0.9999642640821418
Energy: 1.0383104509961674
Energy: 1.039880821005799
Energy: 1.044817739920477
Energy: 1.0371274813687916
Energy: 1.0004334225254625
Energy: 0.9936655409902642
Energy: 0.9933766175569098
Energy: 1.0045250834381017
Energy: 1.0384258404464355
Energy: 1.0642290707228117
Energy: 1.040772287987866
Energy: 0.9997520200408739
Energy: 1.0088040609740958
Energy: 1.0066856014015741
Energy: 1.04030820034121
Energy: 0.9940274932014903
Energy: 0.9984780423710874
Energy: 1.0000372745256247
Energy: 0.9997043100839015
Energy: 1.0005081088947367
Energy: 0.9927557095521935
Energy: 1.0197821657757995
Energy: 1.082370827049932
Energy: 1.0127502873526726
Energy: 1.0116342985503064
Energy: 1.0001565538169428
Energy: 1.0974242997417072
Energy: 0.9971354570002703
Energy: 1.08878089250602
Energy: 1.0960248841893372
Energy: 1.1241237685796055
Energy: 1.0007018366873515
Energy: 0.9977472651512079
Energy: 0.9975782275313146
Energy: 0.99816391614834
Energy: 1.1300191423989432
Energy: 1.0117574913553185
Energy: 1.000102007315206
Energy: 0.9977958772155537
Energy: 0.9982682422819369
Energy: 1.1408196353191054
Energy: 1.1307310287780945
Energy: 1.012335861903784
Energy: 1.128515904175717
Energy: 1.141260175078573
Energy: 0.9975141209621938
Energy: 1.1676137049171282
Energy: 1.0773822468043428
Energy: 1.011785766754369
Energy: 1.074864230696822
Energy: 1.1804514345836754
Energy: 0.9971405446901176
Energy: 1.1296751945540922
Energy: 1.0746374287146228
Energy: 1.0086690111229586
Energy: 1.1230882560037216
Energy: 1.128891261019192
Energy: 0.9977661840900918
Energy: 1.1418277629239446
Energy: 1.1335700345323139
Energy: 1.0118783283877535
Energy: 1.129391660953898
Energy: 1.140459198595813
Energy: 0.9981960185294231
Energy: 0.9983616870150018
Energy: 1.0909959288584843
Energy: 1.0051933314828476
Energy: 1.0921032239543642
Energy: 0.9980882495294928
Energy: 0.9966868227777934
Energy: 1.088451338236219
Energy: 1.0955406716347815
Energy: 1.0002972040431777
Energy: 1.089189880851943
Energy: 1.0883514036864834
Energy: 0.9975004133091134
Energy: 1.0014108301983604
Energy: 1.0291232502871617
Energy: 1.0124933041905961
Energy: 1.0008860760266578
Energy: 1.00035696694069
Energy: 0.9970891627890799
Energy: 0.9994327614611878
Energy: 1.000642240217918
Energy: 1.0012550713914135
Energy: 1.1979190480834965
Energy: 1.0005034453270973
Energy: 1.0513629804096678
Energy: 0.9989339593110099
Energy: 1.0049166357141854
Energy: 1.0578676837999872
Energy: 1.0402878359963315
Energy: 0.9977395700877824
Energy: 1.0378434903769578
Energy: 1.1975844140141443
Energy: 0.9999277147881848
Energy: 1.0612256945493717
Energy: 1.070452889389857
Energy: 1.0003218793145807
Energy: 0.9914201148024064
Energy: 1.0402411439484724
Energy: 0.9999253483648426
Energy: 1.0379604942150182
Energy: 1.1970165443790974
Energy: 0.992189872796398

minimum gb energy = 0.9914201148024064 eV
minimum distance =  2.3007872854446 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.015014877323361972
Energy: 0.015861102063185164
Energy: 0.08275796714323097
Energy: 0.08304218843909045
Energy: 0.0841851999906408
Energy: 0.0155693479518311
Energy: 0.015553154265163198
Energy: 0.11322815367961109
Energy: 0.11355943285125276
Energy: 0.11358787294892408
Energy: 0.11410236661048057
Energy: 0.11366233129323058
Energy: 0.5608013355907756
Energy: 0.08610034671427778
Energy: 0.015659697848921846
Energy: 0.01684603047291611
Energy: 0.08371555246457858
Energy: 0.08266798829807855
Energy: 0.11352498947803281
Energy: 0.11322815368032414
Energy: 0.11355943285125276
Energy: 0.11358787294892408
Energy: 0.11410236661048057
Energy: 0.11366233129323058

minimum gb energy = 0.015014877323361972 eV
minimum distance =  2.44369048340388 Angstroms
sigma value = 1