Model name: model_name=EAM_Dynamo_MendelevKramerHao_2012_Ni__MO_832600236922_005
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.518121153116226
cohesive_energy=4.385853675380362
mass=58.6934
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=[2.5086881735172e-19, 3.3309732873850196e-19, 3.959667398566619e-19, 4.4820090247833e-19, 4.8908043929484e-19, 5.20600060215522e-19, 5.45991355511154e-19, 5.67596707420644e-19, 5.8677315955299e-19, 6.040045692516599e-19, 6.19380658408158e-19, 6.330199880933999e-19, 6.451340456230739e-19, 6.5584940295126595e-19, 6.65294234208696e-19, 6.737425115997779e-19, 6.81434561619612e-19, 6.88258231903818e-19, 6.9372485857902595e-19, 6.973217451223559e-19, 6.994686618119159e-19, 7.010580210328439e-19, 7.022163947392259e-19, 7.02636165017334e-19, 7.02184351206546e-19, 7.00753607472384e-19, 6.982285770971999e-19, 6.944923011867119e-19, 6.89439036083076e-19, 6.82955027245278e-19, 6.748255830043619e-19, 6.64640546142024e-19, 6.516805393495979e-19, 6.34739123621682e-19, 6.118312021087499e-19, 5.79781260722214e-19, 5.33539238711706e-19, 4.6451907149562e-19, 3.5786858167677597e-19, 1.8800421276346198e-19, -9.016505356096439e-20, -5.57160128826768e-19, -1.3584086634901678e-18, -2.7622326258477e-18, -5.27785822419012e-18, -9.8780598192636e-18, -1.8342519194349e-17, -3.4577375026670996e-17, -6.75714791036232e-17, -1.398777105960432e-16]
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: 0.017858715664669064
Energy: 0.018958221075485733
Energy: 0.018277353527983983
Energy: 0.018063934248387384
Energy: 0.7186569127247033
Energy: 0.01833092714727447
Energy: 0.018958221075154616
Energy: 0.15001142140383864
Energy: 0.15199846988921073
Energy: 0.15006941185826383
Energy: 0.15019028580549526
Energy: 0.15175105055613827
Energy: 0.018277353527983983
Energy: 0.15199846988921073
Energy: 0.15091760980139995
Energy: 0.0182771902537606
Energy: 0.14999107195167788
Energy: 0.1504501817022065
Energy: 0.018063934248718497
Energy: 0.15006941185826383
Energy: 0.018277190253135154
Energy: 0.01813848280353745
Energy: 0.15017528295868718
Energy: 0.01836625822225939
Energy: 0.7186569127259911
Energy: 0.15019028580549526
Energy: 0.14999107195167788
Energy: 0.15017528296126256
Energy: 0.15027043461674394
Energy: 0.15015297308559392
Energy: 0.018330927146943354
Energy: 0.15175105055451948
Energy: 0.15045018170058772
Energy: 0.01836625822130283
Energy: 0.15015297308592504
Energy: 0.01807117052577863

minimum gb energy = 0.017858715664669064 eV
minimum distance =  2.48629450420093 Angstroms
sigma value = 1


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

Energy: 1.745696609108291
Energy: 1.1617403780494813
Energy: 1.1949548128331688
Energy: 1.1575882443027128
Energy: 1.1454439860328145
Energy: 1.2157492034012705
Energy: 1.684814848139445
Energy: 1.1455449995093123
Energy: 1.181192771440881
Energy: 1.1814166154076402
Energy: 1.1458518623278755
Energy: 1.1747654115063006
Energy: 1.55903356722544
Energy: 1.145606716436714
Energy: 1.1549597123433561
Energy: 1.182879636607297
Energy: 1.1448444555440644
Energy: 1.1372166918711293
Energy: 1.8095407087872295
Energy: 1.1442001859075808
Energy: 1.1441084684518688
Energy: 1.136736539679298
Energy: 1.1450966585856002
Energy: 1.1367775264414137
Energy: 1.6498591317131848
Energy: 1.1811884389793872
Energy: 1.1798571480218856
Energy: 1.1834668042959826
Energy: 1.1741127128801443
Energy: 1.1824616148316838
Energy: 1.5830678672676926
Energy: 1.1793492392500313
Energy: 1.179038040675659
Energy: 1.1779830059297272
Energy: 1.1797883492619987
Energy: 1.1765962450799077
Energy: 1.6113336102974773
Energy: 1.1802676990233183
Energy: 1.1783795664739052
Energy: 1.1701299593385117
Energy: 1.1802130861049787
Energy: 1.1707501746569327
Energy: 1.5231843158641512
Energy: 1.1813596988821384
Energy: 1.1867312609226541
Energy: 1.1751706832920505
Energy: 1.1804468557558656
Energy: 1.180221289134275
Energy: 1.273457045355206
Energy: 1.1761764251727316
Energy: 1.1774077312380868
Energy: 1.1799344241558147
Energy: 1.1851639700764596
Energy: 1.1755993804289175
Energy: 1.2738325089489813
Energy: 1.1815435324897339
Energy: 1.1807579051761297
Energy: 1.1756335440205714
Energy: 1.1845036210206354
Energy: 1.1834253555382275
Energy: 1.2633661995356598
Energy: 1.1477301213997761
Energy: 1.1567505682288688
Energy: 1.197552687582853
Energy: 1.1505604075197287
Energy: 1.1193945045790625
Energy: 1.1448753781466987
Energy: 1.151956275449175
Energy: 1.1447411733218875
Energy: 1.1447341463684233
Energy: 1.1839569339731526
Energy: 1.1472436964458292
Energy: 1.1458605176388394
Energy: 1.1765221201149354
Energy: 1.1760843591706625
Energy: 1.145992832474933
Energy: 1.1814999979302323
Energy: 1.1858579032272927
Energy: 1.2738321277334386
Energy: 1.1367783144914956
Energy: 1.1362585904268392
Energy: 1.191995235235423
Energy: 1.1368240024808685
Energy: 1.1240924316271281
Energy: 1.179673094213259
Energy: 1.1821283383804595
Energy: 1.1806066284966208
Energy: 1.1458128261567597
Energy: 1.1838871483276314
Energy: 1.1867551039649498
Energy: 1.1786122156187255
Energy: 1.1449203292084844
Energy: 1.144998407138625
Energy: 1.1555877523403855
Energy: 1.1595746577680222
Energy: 1.1436379782244823
Energy: 1.5209063797427878
Energy: 1.168477600201875
Energy: 1.170418818678633
Energy: 1.1359121513106418
Energy: 1.1680717605798272
Energy: 1.1444727871396132
Energy: 1.4302619303545208
Energy: 1.1883153546629575
Energy: 1.1860317313050128
Energy: 1.187726111120248
Energy: 1.1874536774849083
Energy: 1.1875064613180937
Energy: 1.435082199861504
Energy: 1.1879578755449367
Energy: 1.1911477963479813
Energy: 1.181018877460412
Energy: 1.1872259838975963
Energy: 1.1859514504594837
Energy: 1.6725512282764317
Energy: 1.1873407628390145
Energy: 1.1872878642486018
Energy: 1.1875190712847496
Energy: 1.1882631751408363
Energy: 1.1870822247905974
Energy: 1.6921633379000518
Energy: 1.1523344478474573
Energy: 1.1659160680143126
Energy: 1.1508680135573581
Energy: 1.1355136398958474
Energy: 1.1518114890204825
Energy: 1.6221656942059584
Energy: 1.1553691757497735
Energy: 1.1549179243036123
Energy: 1.1792460627975758
Energy: 1.152381297643166
Energy: 1.137480878123222
Energy: 1.685005468197392
Energy: 1.145525674867361
Energy: 1.1855975865543096
Energy: 1.1781402513153116
Energy: 1.14545681839548
Energy: 1.1812323436182481

minimum gb energy = 1.1193945045790625 eV
minimum distance =  2.2662669870361 Angstroms
sigma value = 33


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

Energy: 1.9061247610403755
Energy: 1.2079251438322127
Energy: 1.208297766857598
Energy: 1.2107008742989651
Energy: 1.147134254747963
Energy: 1.2078524156593382
Energy: 1.3670165030368164
Energy: 1.1457236405587101
Energy: 1.1452834614885394
Energy: 1.1836985970084963
Energy: 1.1456579327396519
Energy: 1.1878839325313084
Energy: 1.5566988116707412
Energy: 1.145872501039773
Energy: 1.1447058364818306
Energy: 1.2228423170091824
Energy: 1.1459695424152088
Energy: 1.1464873858831903
Energy: 1.618892327000663
Energy: 1.1456829122050134
Energy: 1.145544639187186
Energy: 1.1783337790924293
Energy: 1.1462530291508257
Energy: 1.1785217707929643
Energy: 1.5033091356320532
Energy: 1.1455590013133627
Energy: 1.186133977637084
Energy: 1.2141133997086748
Energy: 1.1474669058235796
Energy: 1.1853823484477903
Energy: 1.5686430820529995
Energy: 1.1879944693678468
Energy: 1.1877502944711305
Energy: 1.1732775797210353
Energy: 1.1473080661036135
Energy: 1.1857273735247718
Energy: 1.5650727740858343
Energy: 1.18916045752863
Energy: 1.1864496935234579
Energy: 1.1742120703939973
Energy: 1.1926589968159058
Energy: 1.1859361411181941
Energy: 1.507573388959215
Energy: 1.2067553879856479
Energy: 1.2086233618143385
Energy: 1.1879497719726904
Energy: 1.206428566866845
Energy: 1.2087714198071677
Energy: 1.252853276425145
Energy: 1.2054674887372092
Energy: 1.2235570140508583
Energy: 1.1867313098247692
Energy: 1.1811521457446488
Energy: 1.1883898023847288
Energy: 1.2525183190438614
Energy: 1.2157718706912897
Energy: 1.2125444182388498
Energy: 1.1474019680126155
Energy: 1.217896212468179
Energy: 1.1856212041067364
Energy: 1.2882561150783394
Energy: 1.1316175163231703
Energy: 1.1313792984092408
Energy: 1.2191842821156735
Energy: 1.1326485687406194
Energy: 1.1316171308696021
Energy: 1.145922444271051
Energy: 1.2085346258188896
Energy: 1.1863476081774367
Energy: 1.14599980985896
Energy: 1.2057793280977969
Energy: 1.145919758546906
Energy: 1.1459442284714498
Energy: 1.2168476761818312
Energy: 1.210994985105951
Energy: 1.1458040259232147
Energy: 1.2162100784530754
Energy: 1.1447048880167654
Energy: 1.336832076247509
Energy: 1.1787585946852175
Energy: 1.1785932291819254
Energy: 1.1453426918462088
Energy: 1.1781814395590073
Energy: 1.178088825354345
Energy: 1.2528115580550003
Energy: 1.212146340964539
Energy: 1.210760256916129
Energy: 1.1473942668728434
Energy: 1.2143695229919944
Energy: 1.1863515849705084
Energy: 1.254920078737277
Energy: 1.175995830017166
Energy: 1.1860599362478654
Energy: 1.1875578983997392
Energy: 1.1781106372408285
Energy: 1.1880388900321033
Energy: 1.5074638009634074
Energy: 1.1853900292047228
Energy: 1.1856071059678421
Energy: 1.1459211068948512
Energy: 1.1826037158071216
Energy: 1.1862247092208305
Energy: 1.3672345372156933
Energy: 1.1880588995407613
Energy: 1.1866414728702115
Energy: 1.2061635644219157
Energy: 1.1877356744665353
Energy: 1.2062743799659363
Energy: 1.3675098218892283
Energy: 1.1855087858324536
Energy: 1.1885810980661358
Energy: 1.2052638884725049
Energy: 1.1859108323444438
Energy: 1.1859505569633642
Energy: 1.4996743303850226
Energy: 1.189625160877652
Energy: 1.1861966253195375
Energy: 1.1820152263230963
Energy: 1.1901750399262858
Energy: 1.2117478552908454
Energy: 1.3661083216182883
Energy: 1.1885011931509668
Energy: 1.130632332488733
Energy: 1.130738224013551
Energy: 1.1455445809466451
Energy: 1.1311561611899703
Energy: 1.365921114820053
Energy: 1.1455440863797823
Energy: 1.1449010528337975
Energy: 1.2057727609352804
Energy: 1.1457654178772463
Energy: 1.1890215503819854
Energy: 1.5753913003290978
Energy: 1.1460971391540737
Energy: 1.1447036267919708
Energy: 1.2171598210403645
Energy: 1.145999712305163
Energy: 1.1463040609950628
Energy: 1.634088466041942
Energy: 1.1445680867979118
Energy: 1.144748619050458
Energy: 1.1829211210562967
Energy: 1.160807782142869
Energy: 1.2226661028394616
Energy: 1.574844625794756
Energy: 1.1444151544414198
Energy: 1.186802123771603
Energy: 1.2173729756089535
Energy: 1.1464171033531558
Energy: 1.184673503632957
Energy: 1.5653728329311374
Energy: 1.1855179799053288
Energy: 1.188442625342963
Energy: 1.1895468870532973
Energy: 1.1857651037308596
Energy: 1.1859812855906757
Energy: 1.6220592464527483
Energy: 1.185116102296986
Energy: 1.1853842318590262
Energy: 1.1826164985876153
Energy: 1.1466140770900317
Energy: 1.185377922441642
Energy: 1.5027549078085662
Energy: 1.2053716815283373
Energy: 1.2069240606523162
Energy: 1.186931592690764
Energy: 1.2051145787466724
Energy: 1.1862751830019715
Energy: 1.2535632321743595
Energy: 1.2054700526339097
Energy: 1.206803818863495
Energy: 1.1882771227355549
Energy: 1.2055346889428733
Energy: 1.1866023300224138
Energy: 1.2540857747138154
Energy: 1.2111918968610436
Energy: 1.2093902711150566
Energy: 1.188335069959889
Energy: 1.2151803915440527
Energy: 1.1866620284868958
Energy: 1.3690660544387498
Energy: 1.1304353446171436
Energy: 1.1315833028957116
Energy: 1.1446738996028678
Energy: 1.1247621227585507
Energy: 1.1306605780178347
Energy: 1.145421215475571
Energy: 1.1768689991265158
Energy: 1.1323205995592216
Energy: 1.1454448722808936
Energy: 1.2151143727401046
Energy: 1.1877659277320918
Energy: 1.1477503992563487
Energy: 1.2126131342283513
Energy: 1.2122742962768691
Energy: 1.148169556943113
Energy: 1.215619018310368
Energy: 1.1444749960935756
Energy: 1.1454446927789008
Energy: 1.1833198327853038
Energy: 1.183348867494884
Energy: 1.1454282938932019
Energy: 1.179025359861831
Energy: 1.1822900268262073
Energy: 1.2524248866632257
Energy: 1.2160308505160493
Energy: 1.214034838700065
Energy: 1.1466623823538977
Energy: 1.2177940727692105
Energy: 1.186264467775486
Energy: 1.2507546269868188
Energy: 1.1878190241856788
Energy: 1.1865604462034272
Energy: 1.18888183097572
Energy: 1.1894197814187417
Energy: 1.1887420397107766
Energy: 1.2516714583645006
Energy: 1.185729429533748
Energy: 1.1852346617175997
Energy: 1.1449779093403836
Energy: 1.1863570777590515
Energy: 1.185139675940154
Energy: 1.3671899724479464
Energy: 1.1864027061429687
Energy: 1.1895107755696182
Energy: 1.1817650720232162
Energy: 1.1855628502879043
Energy: 1.2226740848743551
Energy: 1.3668562210054254
Energy: 1.1877453040813069
Energy: 1.1861392348029358
Energy: 1.206166726838286
Energy: 1.1878800123460844
Energy: 1.207470687241293
Energy: 1.5044354115232395
Energy: 1.1851798108440394
Energy: 1.1877428997664283
Energy: 1.2116425834397335
Energy: 1.1854508135166215
Energy: 1.1858136451317678
Energy: 1.3666452984113557
Energy: 1.1446258773587052
Energy: 1.130765996442104
Energy: 1.1241118316763146
Energy: 1.144820271101061
Energy: 1.1311720007609865

minimum gb energy = 1.1241118316763146 eV
minimum distance =  2.32125356479163 Angstroms
sigma value = 51


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

Energy: 1.7967154919396835
Energy: 1.2089521811716921
Energy: 1.189655985830664
Energy: 1.2253323687575388
Energy: 1.1848151391497852
Energy: 1.2367864110238713
Energy: 1.6541566684986748
Energy: 1.184927288250585
Energy: 1.1846377171862958
Energy: 1.2529735713768024
Energy: 1.1851931880868591
Energy: 1.1846843751841847
Energy: 1.5234732394943584
Energy: 1.1842636821733492
Energy: 1.1843931091116349
Energy: 1.2025438856470858
Energy: 1.1843001353853206
Energy: 1.1842402397500529
Energy: 1.6370002700423623
Energy: 1.1843421370345746
Energy: 1.1855466098525613
Energy: 1.1948620654285502
Energy: 1.1837129394789052
Energy: 1.1935091051138482
Energy: 1.5104902883498146
Energy: 1.24063015357154
Energy: 1.2423172860125673
Energy: 1.2523566287467207
Energy: 1.2383760960170533
Energy: 1.2412015543659838
Energy: 1.386292004463339
Energy: 1.240732155249282
Energy: 1.2407864250439746
Energy: 1.239699808028047
Energy: 1.2402148525126493
Energy: 1.2400260521897164
Energy: 1.385681862575416
Energy: 1.2534595745046222
Energy: 1.2410412569286136
Energy: 1.2392720449454304
Energy: 1.2533792207866472
Energy: 1.2410856066329543
Energy: 1.3845325110907039
Energy: 1.162962962417453
Energy: 1.1629150472113998
Energy: 1.18560296982878
Energy: 1.1540962836696678
Energy: 1.162756800138345
Energy: 1.184907521437098
Energy: 1.1627675107190871
Energy: 1.1628096459553072
Energy: 1.1849609497118732
Energy: 1.1646382327091114
Energy: 1.1847883550622276
Energy: 1.1857696568212803
Energy: 1.1854301119560504
Energy: 1.1885144242613368
Energy: 1.1856628476548394
Energy: 1.253279258065574
Energy: 1.1851122723431176
Energy: 1.2613407873373417
Energy: 1.1826197920434167
Energy: 1.1827159382180583
Energy: 1.2614921441496534
Energy: 1.1955600781699802
Energy: 1.1828955610055933
Energy: 1.2246335428156097
Energy: 1.1854212902113885
Energy: 1.1842039103868442
Energy: 1.185006795325913
Energy: 1.237190592255347
Energy: 1.1858000508600897
Energy: 1.22339791918855
Energy: 1.2020759542321515
Energy: 1.19788339216595
Energy: 1.1964128520113204
Energy: 1.2131559147386934
Energy: 1.1975739807728005
Energy: 1.224808915547704
Energy: 1.2018383905727494
Energy: 1.2012095980556492
Energy: 1.1850217475299394
Energy: 1.2018185450550796
Energy: 1.2010296229138582
Energy: 1.483196166169624
Energy: 1.2027080983533487
Energy: 1.2014311273733769
Energy: 1.228150995858167
Energy: 1.2020753038657925
Energy: 1.20096317856496
Energy: 1.4824566678873563
Energy: 1.2015033349390438
Energy: 1.2014324875656777
Energy: 1.229302469875411
Energy: 1.2014941529465932
Energy: 1.2273125161858942
Energy: 1.510368336163831
Energy: 1.2030283088000409
Energy: 1.2020556578950203
Energy: 1.2378197342678565
Energy: 1.2031389013786802
Energy: 1.2019729156936934
Energy: 1.785309383501299
Energy: 1.1851198619051724
Energy: 1.1953631381950878
Energy: 1.1536877832940169
Energy: 1.1849881749698783
Energy: 1.1954126533323568

minimum gb energy = 1.1536877832940169 eV
minimum distance =  2.30185362654258 Angstroms
sigma value = 19


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

Energy: 1.5258277156048183
Energy: 1.1301513655245026
Energy: 1.1303844291568237
Energy: 1.2871284835126127
Energy: 1.0759585400933735
Energy: 1.2873125997024948
Energy: 1.4407057243182633
Energy: 1.0989685347251337
Energy: 1.0984744512314637
Energy: 1.1399192103320195
Energy: 1.0989506681904875
Energy: 1.0986867702464005
Energy: 1.3038684728785446
Energy: 1.0982760143104255
Energy: 1.0984315219716179
Energy: 1.1391382851714056
Energy: 1.098271956558722
Energy: 1.0987965286740264
Energy: 1.295729536663924
Energy: 1.098604515373277
Energy: 1.09863475875971
Energy: 1.134587362801314
Energy: 1.0981902473384313
Energy: 1.0983954447367457
Energy: 1.2515428014162908
Energy: 1.0982731108885082
Energy: 1.098524019605647
Energy: 1.1391140342764325
Energy: 1.0979861832167468
Energy: 1.1404286632754959
Energy: 1.3041134650333703
Energy: 1.0643498114118108
Energy: 1.1386554165461873
Energy: 1.140037519768873
Energy: 1.064260699597931
Energy: 1.1385858237082007
Energy: 1.3038435820496086
Energy: 1.0768230978916193
Energy: 1.1400063192787508
Energy: 1.1396277092111553
Energy: 1.076153403226077
Energy: 1.1399367318460576
Energy: 1.251084966024237
Energy: 1.0646895214564098
Energy: 1.064580172055083
Energy: 1.25171565561616
Energy: 1.0648994087043657
Energy: 1.0640117727047822
Energy: 1.0983688481985883
Energy: 1.0649500711332243
Energy: 1.0645594716047209
Energy: 1.0984371176922219
Energy: 1.0651068373221748
Energy: 1.0645170377266133
Energy: 1.0988830820784978
Energy: 1.1406552745353673
Energy: 1.0985812956608045
Energy: 1.0992925405480896
Energy: 1.1391186203528132
Energy: 1.0986092435773536
Energy: 1.0966362613526257
Energy: 1.1349995753885993
Energy: 1.1365960945434816
Energy: 1.0974514391652517
Energy: 1.134604791414306
Energy: 1.0983561798731643
Energy: 1.251809384825738
Energy: 1.1391244384574923
Energy: 1.1387133747797455
Energy: 1.0984346760053398
Energy: 1.1396271780022897
Energy: 1.0980943537680838
Energy: 1.0639155187743008
Energy: 1.1385464200438915
Energy: 1.1402665227927176
Energy: 1.0643154765640406
Energy: 1.139597436505817
Energy: 1.140487517379767
Energy: 1.2522466045565135
Energy: 1.1405073479637857
Energy: 1.139821530849656
Energy: 1.0983437967236414
Energy: 1.1403788176038336
Energy: 1.1390704735638717
Energy: 1.5296900144954828
Energy: 1.098326585018428
Energy: 1.098306801167398
Energy: 1.0647773042042903
Energy: 1.0984200307392802
Energy: 1.0646853469841053
Energy: 1.531131473509419
Energy: 1.0987858363481955
Energy: 1.0639805895926335
Energy: 1.0653254551528755
Energy: 1.0988517617712024
Energy: 1.0642250296773161
Energy: 1.250744449511713
Energy: 1.0987459616355422
Energy: 1.098510944546445
Energy: 1.139848266334907
Energy: 1.0986469800101886
Energy: 1.098769125615606
Energy: 1.2926410474786185
Energy: 1.09857706511728
Energy: 1.0987747244458668
Energy: 1.1572496654019735
Energy: 1.0984383156515705
Energy: 1.0986877032521045
Energy: 1.2923294245940762
Energy: 1.0987205105852473
Energy: 1.0986827412904168
Energy: 1.1512857920758446
Energy: 1.0984745068162882
Energy: 1.0982353298016045
Energy: 1.3043905671403768
Energy: 1.0644046192457066
Energy: 1.1406496578725145
Energy: 1.1388793223669353
Energy: 1.0641374352357813
Energy: 1.1388297727452021
Energy: 1.3015711615110672
Energy: 1.0985707455180949
Energy: 1.138764134248769
Energy: 1.1398029812839587
Energy: 1.0981545557755146
Energy: 1.1401139579523223
Energy: 1.3034750707953888
Energy: 1.1396738481592754
Energy: 1.1391192893235695
Energy: 1.1393596281540372
Energy: 1.0758608462642139
Energy: 1.138958452992322
Energy: 1.2523181797740472
Energy: 1.0648293468938395
Energy: 1.0645234237161407
Energy: 1.2527045805298465
Energy: 1.0646845455060243
Energy: 1.0651307114997797
Energy: 1.0991735096248403
Energy: 1.0992142944702925
Energy: 1.0988462709971953
Energy: 1.0992479646888402
Energy: 1.1193982026680525
Energy: 1.098560820869176
Energy: 1.0981912536974041
Energy: 1.1383076528763807
Energy: 1.0987081813059585
Energy: 1.098231139098522
Energy: 1.1390995156963877
Energy: 1.0987343460177832
Energy: 1.2533771420403357
Energy: 1.1340102933894092
Energy: 1.1512583728669943
Energy: 1.0985763472792465
Energy: 1.1345319348353342
Energy: 1.098230080337876
Energy: 1.3043015644247031
Energy: 1.1390585895926564
Energy: 1.1394013709495698
Energy: 1.0978875008543816
Energy: 1.1393844903865524
Energy: 1.1388345996236862
Energy: 1.0643798354696465
Energy: 1.1394085511603305
Energy: 1.1402125400222949
Energy: 1.064259964806068
Energy: 1.1399155599705322
Energy: 1.1380346994958006
Energy: 1.251258344270775
Energy: 1.1391293196577135
Energy: 1.1411395632505026
Energy: 1.0762810237297342
Energy: 1.1396424279469417
Energy: 1.1387202992213068
Energy: 1.5293224354249038
Energy: 1.0983381927017168
Energy: 1.0641589730754104
Energy: 1.0645070511770645
Energy: 1.0982076024686123
Energy: 1.0639849181796444

minimum gb energy = 1.0639155187743008 eV
minimum distance =  2.32974473710609 Angstroms
sigma value = 27


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

Energy: 1.3074604033354078
Energy: 1.2188417615397427
Energy: 1.2186670031962112
Energy: 1.1635617587123304
Energy: 1.1700767248009896
Energy: 1.2187543281594488
Energy: 1.1805040072227153
Energy: 1.1458815319556992
Energy: 1.145428250900267
Energy: 1.0978038923183198
Energy: 1.1461797368540958
Energy: 1.1457366617651352
Energy: 1.1835892937742434
Energy: 1.1433969489496567
Energy: 1.1432279063848396
Energy: 1.1418559446923138
Energy: 1.1432790467532687
Energy: 1.1444098995872283
Energy: 1.0487077959941569
Energy: 1.1421026641559224
Energy: 1.1420011010222
Energy: 1.09904727737462
Energy: 1.1423716079621389
Energy: 1.10523488828755
Energy: 1.3070813886127184
Energy: 1.029759866625564
Energy: 1.1056361956149914
Energy: 1.1451120749627495
Energy: 1.0307770201673587
Energy: 1.1059247683389437
Energy: 1.1447975441640266
Energy: 1.1693482027956483
Energy: 1.030381447704671
Energy: 1.1449520715325998
Energy: 1.165497883645544
Energy: 1.0473048466327488
Energy: 1.146467061114611
Energy: 1.1052414488933364
Energy: 1.1069609598318906
Energy: 1.1465856431448038
Energy: 1.097370423329285
Energy: 1.1449215497680776
Energy: 1.2107950630377464
Energy: 1.1451861174387337
Energy: 1.0733754363314565
Energy: 1.2105845190981173
Energy: 1.144188746502142
Energy: 1.1126087210655795
Energy: 1.1842223090256403
Energy: 1.091539674126208
Energy: 1.128056182024897
Energy: 1.1458267487513298
Energy: 1.0914424704598116
Energy: 1.1047468616467397
Energy: 1.185676878671899
Energy: 1.102630887234262
Energy: 1.098837909621431
Energy: 1.120940684708544
Energy: 1.0926901504319444
Energy: 1.0991903636052829
Energy: 1.1835339913662293
Energy: 1.1161740918916971
Energy: 1.1192633039386435
Energy: 1.0916042788445055
Energy: 1.1151712659368378
Energy: 1.1171417375769774
Energy: 1.1836911963923593
Energy: 1.1220873026651337
Energy: 1.1000912378074765
Energy: 1.1009305120324264
Energy: 1.1476767151837306
Energy: 1.0995843342026006

minimum gb energy = 1.029759866625564 eV
minimum distance =  2.29707973393045 Angstroms
sigma value = 9


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

Energy: 2.119634426176461
Energy: 1.0885501532374104
Energy: 0.9495089993968071
Energy: 1.0490869880481961
Energy: 1.2462372854741894
Energy: 1.0454372304391724
Energy: 0.9500859470621772
Energy: 1.016390610742208
Energy: 1.0141067594897344
Energy: 0.9971198080336594
Energy: 1.0160688061566403
Energy: 1.062746725848728
Energy: 1.0266904672915136
Energy: 1.008789785857807
Energy: 1.0068560721767705
Energy: 1.0355615178902144
Energy: 1.014095106832254
Energy: 0.9909195783560019
Energy: 1.0258060153035022
Energy: 1.0423723729948757
Energy: 1.0129252135291025
Energy: 1.0040051141991915
Energy: 1.091934610263864
Energy: 0.9896855754473423
Energy: 1.0250329557573112
Energy: 1.067593505325976
Energy: 1.024851377529951
Energy: 1.0698722313513662
Energy: 1.0680855571942915
Energy: 0.9985475119363783
Energy: 1.0700314095214463
Energy: 0.9767257990344195
Energy: 1.0184368339774377
Energy: 1.0700610035989329
Energy: 0.9813600130411371
Energy: 1.0691917873093482
Energy: 1.0690616647026798
Energy: 1.014557055715548
Energy: 1.0120791179582886
Energy: 1.0703092766876254
Energy: 1.0742653365789294
Energy: 1.0711721062310835
Energy: 1.0891597521145844
Energy: 1.00891537636215
Energy: 1.0903749523256994
Energy: 1.08899878581134
Energy: 1.0013584355216802
Energy: 1.0915231175353597
Energy: 1.181312263529945
Energy: 1.0729708657036905
Energy: 1.0111026336873061
Energy: 1.090925380561668
Energy: 1.0730364248629478
Energy: 0.9972803852097365
Energy: 0.9491194165544107
Energy: 1.1113017610013554
Energy: 1.0664393058487647
Energy: 0.9803890517025642
Energy: 1.0895209631356424
Energy: 1.0851943653776004
Energy: 0.9496254127585823
Energy: 1.0687764605632784
Energy: 1.0682186990536044
Energy: 1.039198256223731
Energy: 1.068621095831368
Energy: 1.0702912223322365
Energy: 1.1808889473096262
Energy: 1.0702174402929525
Energy: 1.070211936988092
Energy: 1.0240390602240996
Energy: 1.070322188767171
Energy: 1.02195782526325
Energy: 1.3344395923952674
Energy: 1.0750635258271193
Energy: 1.0583530262115155
Energy: 1.025206437810773
Energy: 1.0762103337854527
Energy: 1.009197880314608
Energy: 1.1812327328024506
Energy: 1.0701204365139712
Energy: 0.9822095400741608
Energy: 1.0611162416959115
Energy: 1.0707402316109076
Energy: 1.000531304474625
Energy: 1.0150115692549417
Energy: 1.0158355041988465
Energy: 1.019914061794775
Energy: 1.0153674861481388
Energy: 1.016679972881294
Energy: 1.0621960062342723
Energy: 1.0146639744538541
Energy: 0.9823447066186242
Energy: 0.994397009600119
Energy: 1.0160293832035148
Energy: 1.0409021728881909
Energy: 1.0140347209647886
Energy: 1.0133138388893408
Energy: 1.0093934441528287
Energy: 0.9938141515131467
Energy: 1.0134664781625375
Energy: 1.0202468752188878
Energy: 1.0633124703879993
Energy: 1.1254930056468326
Energy: 1.0323497120708254
Energy: 1.024384874144045
Energy: 1.0156739085699513
Energy: 1.0341823346241472
Energy: 1.0694355836112381
Energy: 1.0274866935022966
Energy: 0.99268728254614
Energy: 0.9887193395954544
Energy: 1.0137046888955874
Energy: 1.040047649880215
Energy: 0.9924360517884172
Energy: 1.024831576631904
Energy: 0.9893746615921944
Energy: 0.9953591903588136
Energy: 0.9875721086144112
Energy: 0.9882028846386735
Energy: 0.9808611135514727
Energy: 1.0266626639280074
Energy: 0.9876345960196012
Energy: 0.9825091473228658
Energy: 1.059890928388506
Energy: 0.9880078104736755
Energy: 0.9891047190590628
Energy: 1.0810275545019767
Energy: 1.0154977938478558
Energy: 1.0653418559643628
Energy: 1.0667005090115285
Energy: 1.014839103308286
Energy: 1.0289847156626923
Energy: 1.0788258685258951
Energy: 1.0135429403126204
Energy: 1.0108606230015043
Energy: 1.0665793825095908
Energy: 1.013187531719969
Energy: 0.9589054689507511
Energy: 1.0259168542674195
Energy: 1.01498210781785
Energy: 1.0161650909800948
Energy: 1.05538260730395
Energy: 1.0138562700594826
Energy: 0.9904182952063826
Energy: 1.345389068707087
Energy: 1.0152127268546833
Energy: 1.0626506722090487
Energy: 1.004625601515273
Energy: 1.014449103336825
Energy: 1.0593426379505677
Energy: 1.0247608831660633
Energy: 1.0142055342438459
Energy: 0.9907208150282765
Energy: 1.071415280037727
Energy: 1.0135359356546603
Energy: 1.001374174941684
Energy: 1.0110763658052182
Energy: 0.9302263403386705
Energy: 1.0443719508780904
Energy: 1.0111819144325995
Energy: 0.9295314671419684
Energy: 0.9840341119027811
Energy: 1.0716364966212
Energy: 1.0120790524930223
Energy: 0.996166483035838
Energy: 1.0713960444411674
Energy: 1.0249544285656271
Energy: 1.0700452587160638
Energy: 1.070911562393007
Energy: 1.0486118395592052
Energy: 1.000214573370822
Energy: 1.070312883992592
Energy: 1.0722469748567884
Energy: 1.0705791504639866
Energy: 1.030786792110853
Energy: 1.0105470671055257
Energy: 1.020313613479298
Energy: 1.059257130709528
Energy: 1.0016006692732327
Energy: 1.0900172248952318
Energy: 0.950019104031658
Energy: 1.069074514404847
Energy: 1.008142253360736
Energy: 1.0560548409233752
Energy: 1.0722757094942732
Energy: 1.0107320116520762
Energy: 0.955899400111664
Energy: 1.0700445058586017
Energy: 1.070104542623553
Energy: 0.9803161878680405
Energy: 1.0897440087230537
Energy: 1.0945809931584534
Energy: 1.1799168843139478
Energy: 1.0699498593806034
Energy: 1.070106840161422
Energy: 1.0736831680197656
Energy: 1.0711765995538438
Energy: 1.069905269872605
Energy: 1.0198720550791283
Energy: 1.0694588003968184
Energy: 1.0694357729204653
Energy: 1.0357325309670564
Energy: 1.0695883515287576
Energy: 1.013703019404169
Energy: 1.0156555557012408
Energy: 1.0702817455934732
Energy: 1.0706319525054744
Energy: 1.0539540103908962
Energy: 1.0707054372858036
Energy: 1.0105149341391864
Energy: 1.024747255397272
Energy: 1.020696228183911
Energy: 0.9935323362518109
Energy: 1.032647308868846
Energy: 1.022012009661488
Energy: 1.0277668534321807
Energy: 1.0355842058042346
Energy: 1.041484980506979
Energy: 0.9903637647090782
Energy: 1.0374456426423002
Energy: 1.0536521111535775
Energy: 1.0130449225618838
Energy: 1.0136319471693547
Energy: 0.9939590385647493
Energy: 0.994982057784605
Energy: 1.0135826278349505
Energy: 0.9937113605568638
Energy: 1.008536737716971
Energy: 1.0804941926552736
Energy: 0.9972406733202329
Energy: 1.0019441926618453
Energy: 1.0803911504916224
Energy: 0.9961882426070887
Energy: 1.1684682979936163
Energy: 1.0255895874844014
Energy: 0.9871464063596668
Energy: 0.9912606261336442
Energy: 1.0133346131576584
Energy: 0.9872598967892016
Energy: 0.9965261892755344
Energy: 1.0243979628313797
Energy: 0.9961382396780901
Energy: 0.9813948796655372
Energy: 0.9847623614698008
Energy: 0.9917133470065945
Energy: 0.9906118642347138
Energy: 1.0429150563885963
Energy: 0.9908250101334757
Energy: 0.995088090790172
Energy: 1.010678937042457
Energy: 0.9894078423874936
Energy: 0.9790529827794202
Energy: 1.0788880029660994
Energy: 1.0161650747629525
Energy: 1.0101069974241883
Energy: 1.0666482643609398
Energy: 1.0133049689405103
Energy: 0.9519313424698872

minimum gb energy = 0.9295314671419684 eV
minimum distance =  2.27023969309953 Angstroms
sigma value = 57


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

Energy: 0.5656584220679727
Energy: 0.5784026812515733
Energy: 0.6296289717340027
Energy: 0.568525538732871
Energy: 0.5900359358251747
Energy: 0.5680585383453705
Energy: 0.5670094362155061
Energy: 0.5953455895469866
Energy: 0.5966654284315704
Energy: 0.6265803345742478
Energy: 0.6304027548673177
Energy: 0.6212718279578404
Energy: 0.6863087206060197
Energy: 0.6316674003393871
Energy: 0.5956443790036706
Energy: 0.6292608672736444
Energy: 0.628086806904085
Energy: 0.6172354109469481
Energy: 0.6860104004931269
Energy: 0.6319510439594664
Energy: 0.5953974164220838
Energy: 0.6303469612156499
Energy: 0.633349582121208
Energy: 0.6163925974358255
Energy: 0.6839590705814148
Energy: 0.5699150796968457
Energy: 0.6038272417356995
Energy: 0.6880622792518315
Energy: 0.567179466712994
Energy: 0.6163586746341043
Energy: 0.6272022672923389
Energy: 0.5680095987933829
Energy: 0.5690895450634931
Energy: 0.5918813452525348
Energy: 0.5669868698192057
Energy: 0.5685597185440715
Energy: 0.6227859750984132
Energy: 0.5953237498454833
Energy: 0.6263200074679313
Energy: 0.624663559031613
Energy: 0.5945508009775018
Energy: 0.6238673322998814
Energy: 0.6270522013330615
Energy: 0.5938023565886648
Energy: 0.594016270740458
Energy: 0.6274056621334787
Energy: 0.5953282424416424
Energy: 0.5980568845855636
Energy: 0.6836999433385941
Energy: 0.5821510389336875
Energy: 0.6234968137825072
Energy: 0.6298269073923674
Energy: 0.6299222766514057
Energy: 0.628176299609895
Energy: 0.5664522040930686
Energy: 0.6403704963498587
Energy: 0.5687776409637739
Energy: 0.5667176898287198
Energy: 0.6312844490318157
Energy: 0.6011981388620035
Energy: 0.5664669504936253
Energy: 0.5970788219600921
Energy: 0.6161883104341126
Energy: 0.5666974332217763
Energy: 0.5954534195237867
Energy: 0.5680010544738299
Energy: 0.6864211165711231
Energy: 0.6434395821128627
Energy: 0.6151248982479958
Energy: 0.6265930864065347
Energy: 0.6278104063939529
Energy: 0.615329948940618
Energy: 0.6863006712151434
Energy: 0.6591239220307046
Energy: 0.6407779237074795
Energy: 0.5955168597932399
Energy: 0.687185965181958
Energy: 0.5910181684110722
Energy: 0.6847776870647293
Energy: 0.6404545507777895
Energy: 0.6152519023290728
Energy: 0.6298499367462989
Energy: 0.6300440067825622
Energy: 0.6164932302648392
Energy: 0.686205153946366
Energy: 0.5675867681398405
Energy: 0.5681869108819979
Energy: 0.6294993944486278
Energy: 0.5719951263180526
Energy: 0.5692800883080339
Energy: 0.6257085414252669
Energy: 0.6192891466850837
Energy: 0.6182676486292663
Energy: 0.6264931211308623
Energy: 0.5676132883529665
Energy: 0.635380971434435
Energy: 0.6269054863647785
Energy: 0.5818502889785487
Energy: 0.5813029703824675
Energy: 0.6274357166486381
Energy: 0.6295474630946298
Energy: 0.5974803376359222
Energy: 0.6861296818351644
Energy: 0.5940559954348174
Energy: 0.6166444979874202
Energy: 0.686666115228469
Energy: 0.5954037923942905
Energy: 0.5959878150055076
Energy: 0.5666737838329484
Energy: 0.5961068699664761
Energy: 0.6248207236652632
Energy: 0.5667880556443098
Energy: 0.632359908115267
Energy: 0.617818797932918

minimum gb energy = 0.5656584220679727 eV
minimum distance =  2.34152601667757 Angstroms
sigma value = 11


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

Energy: 1.5039699114651006
Energy: 0.9303875922741616
Energy: 0.8992600769774151
Energy: 1.0763962298142566
Energy: 0.8921598291214343
Energy: 0.9986563507793493
Energy: 0.9202393404271776
Energy: 0.9220824294840934
Energy: 0.9143070890593259
Energy: 0.8922341562625926
Energy: 0.9003916661498368
Energy: 0.9158015624850977
Energy: 0.8964232453814285
Energy: 0.9090711484735644
Energy: 0.9116459833264577
Energy: 0.8986122453015849
Energy: 0.9060361500908383
Energy: 0.914440533053351
Energy: 0.8965425019425988
Energy: 0.9169385721556657
Energy: 0.9197238471626746
Energy: 0.8990106802895187
Energy: 0.8991418409660509
Energy: 0.9117556100560797
Energy: 0.900318882978887
Energy: 0.9977176740949469
Energy: 0.9941156244905598
Energy: 0.9005341149942935
Energy: 0.9701892557853399
Energy: 0.9673594729981566
Energy: 1.1529208567974931
Energy: 0.9631243055164203
Energy: 0.9530176163523794
Energy: 0.901504774894085
Energy: 0.8944027768756516
Energy: 0.9932050608009388
Energy: 0.9515731042168246
Energy: 0.914941040988564
Energy: 0.9156986774557242
Energy: 0.9026810599246979
Energy: 0.8927516179288862
Energy: 0.9107558230536584
Energy: 0.9241329770354376
Energy: 0.9896572051064003
Energy: 0.9855746391187914
Energy: 0.9298381102206581
Energy: 0.9906615243093861
Energy: 0.986546072085548
Energy: 1.153146904216553
Energy: 0.9160759825014514
Energy: 0.9672132352122168
Energy: 0.906011346283766
Energy: 0.9087751828484315
Energy: 0.9658459683147737
Energy: 1.16688085707997
Energy: 0.9505309968831215
Energy: 0.9995137493093611
Energy: 0.8902939924772432
Energy: 0.9085894326478573
Energy: 0.9540701155918334
Energy: 1.2074465661381648
Energy: 0.94742289347358
Energy: 0.9966442867612829
Energy: 0.8945557538095771
Energy: 0.9516259709436354
Energy: 0.9955069427559864
Energy: 1.0485216675010216
Energy: 0.87458987583454
Energy: 0.9092474448549215
Energy: 0.9879475330725496
Energy: 0.8788840179827778
Energy: 0.915684823296896
Energy: 1.116596957633501
Energy: 0.8755296496368282
Energy: 1.0186669234994161
Energy: 1.1169767017502794
Energy: 0.8780133194295121
Energy: 0.9864868399124214
Energy: 1.017493839565237
Energy: 0.9980452980290052
Energy: 0.9975480470756944
Energy: 0.9597208205494956
Energy: 0.9989822781738917
Energy: 0.9966432452186569
Energy: 1.0200466926531695
Energy: 0.9195072939295644
Energy: 1.1865771500022564
Energy: 1.0189464502226866
Energy: 0.9175639757230788
Energy: 0.9501955424185347
Energy: 1.4095798409855702
Energy: 0.9985211690592861
Energy: 0.9961504651991215
Energy: 0.9163459342386118
Energy: 0.9680965712292517
Energy: 0.9957258101357165
Energy: 1.3150648226767425
Energy: 0.9458880494447787
Energy: 0.8762606323031021
Energy: 0.8781009815222605
Energy: 1.1934077361345024
Energy: 0.8990914045567877
Energy: 1.4272738163935914
Energy: 0.9448470584991241
Energy: 0.996352383200633
Energy: 0.9339958355581357
Energy: 0.921737763265341
Energy: 0.9962405619866567
Energy: 1.2101678961670677
Energy: 0.9090056551758333
Energy: 0.966834345369892
Energy: 0.9074739480083763
Energy: 0.9890079259232463
Energy: 0.9561731456846175
Energy: 1.1170225228202288
Energy: 0.9936891523732753
Energy: 0.986833244100334
Energy: 0.9002097117207237
Energy: 1.16552497162655
Energy: 0.9920790303507875
Energy: 1.4100481067380204
Energy: 1.0002740490310527
Energy: 0.9964882883420478
Energy: 0.9166035755249184
Energy: 0.9975527766681302
Energy: 0.9487557413796687
Energy: 0.8912885088640656
Energy: 0.8974159686430543
Energy: 0.8875761669082076
Energy: 0.8994809022972718
Energy: 0.9269053928495607
Energy: 1.0031674945749172
Energy: 0.8981390588274336
Energy: 0.9708561447738729
Energy: 0.9675215316678224
Energy: 0.8941062314723806
Energy: 0.914092042643195
Energy: 0.9466500653000736
Energy: 0.9870553541669673
Energy: 0.9115221914834419
Energy: 0.9871816759340367
Energy: 0.9883444320939999
Energy: 0.9042542230639636
Energy: 0.986628233072992
Energy: 0.990296578055717
Energy: 0.9080006248224052
Energy: 0.93284086864701
Energy: 0.9597057764328728
Energy: 0.9010023865240161
Energy: 0.914048422289393
Energy: 1.3761387865617705
Energy: 0.9016747145319249
Energy: 0.9666546304385543
Energy: 0.882080004138466
Energy: 0.900873689710171
Energy: 0.9941316748505488

minimum gb energy = 0.87458987583454 eV
minimum distance =  2.2966560910898 Angstroms
sigma value = 41


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

Energy: 1.652559042506531
Energy: 1.0627943988735202
Energy: 1.0628692969254103
Energy: 1.3039398278877914
Energy: 1.1768520733074088
Energy: 1.3045137448874493
Energy: 1.0015731757729522
Energy: 0.9855209343906778
Energy: 0.9879255582259676
Energy: 0.9739839312060171
Energy: 0.9724104877253171
Energy: 0.9749556177604382
Energy: 0.9689370420149095
Energy: 0.9784028497290249
Energy: 0.9770478008065672
Energy: 0.9701764702386327
Energy: 0.9778493867443486
Energy: 0.9727309350952993
Energy: 0.9684053046851613
Energy: 0.9836420264055539
Energy: 0.979402892251276
Energy: 0.9693091285446136
Energy: 0.9782448602754791
Energy: 0.979421438576265
Energy: 0.9734235420797333
Energy: 0.9830337567702571
Energy: 0.9881743069069646
Energy: 0.9736077715679962
Energy: 0.9799550300833594
Energy: 0.9821899958907525
Energy: 1.0599430958555103
Energy: 0.9786805347166756
Energy: 0.9676776036771971
Energy: 0.9737821251384121
Energy: 0.9747471691248569
Energy: 0.9674627471557795
Energy: 1.053931562092349
Energy: 0.9817551178189717
Energy: 0.9857383362634481
Energy: 0.9705222482294492
Energy: 0.9872580996006827
Energy: 0.9849811263272347
Energy: 0.9994087913288832
Energy: 1.1218885312449394
Energy: 1.1219312231152232
Energy: 0.9803391543010965
Energy: 1.1216461321359852
Energy: 0.9389971533445849
Energy: 1.3065341494451472
Energy: 0.9854336955825939
Energy: 0.9865388016307072
Energy: 0.9891942594748524
Energy: 0.9863487445918965
Energy: 0.9814440924658077
Energy: 1.3067139378945467
Energy: 1.1183956899302685
Energy: 1.116247686404188
Energy: 0.9652079692846289
Energy: 0.9968223132423236
Energy: 1.1165494340712292
Energy: 1.0508327919022122
Energy: 0.9917090526344979
Energy: 0.9881458598100852
Energy: 0.9666107684468459
Energy: 1.0854087730375583
Energy: 0.9814462596196903
Energy: 1.3083608158074707
Energy: 0.9500326289054297
Energy: 0.9342287328530128
Energy: 0.9988403680428134
Energy: 0.9363452849354637
Energy: 0.9807320347630398
Energy: 1.086599166304732
Energy: 0.9351894087571496
Energy: 0.934034992011313
Energy: 1.0851657536385657
Energy: 0.9327385498235984
Energy: 1.0035629649077682
Energy: 1.0774110857924624
Energy: 0.9895710996225722
Energy: 0.9817878990744693
Energy: 0.9801943310847392
Energy: 0.9859087204132942
Energy: 0.981371484165323
Energy: 1.1217216620303416
Energy: 1.1240868299790419
Energy: 1.123204994394272
Energy: 1.1228713613518517
Energy: 1.1120036487726077
Energy: 1.1228432701669488
Energy: 0.971510478764235
Energy: 0.9930001141406413
Energy: 0.9861307566702339
Energy: 0.9880905555661924
Energy: 0.9711130013388044
Energy: 0.9851171491464309
Energy: 1.6149572128795342
Energy: 0.9751088668126352
Energy: 0.945760501220744
Energy: 0.9310878930650436
Energy: 0.9903931696274486
Energy: 0.9889646813406618
Energy: 1.0026100729355878
Energy: 0.990414985937803
Energy: 0.9896040816934427
Energy: 0.948182231992783
Energy: 0.9730123197654829
Energy: 0.9558601765151071
Energy: 0.9685945087716595
Energy: 0.9777570024339224
Energy: 0.9780444817315066
Energy: 0.9696545047469803
Energy: 0.9781357245522204
Energy: 0.9725343513045764
Energy: 0.9693971795342287
Energy: 0.9785049570035784
Energy: 0.9739353357120627
Energy: 0.970910218088276
Energy: 0.9768986805096604
Energy: 0.9767821205713919
Energy: 0.9727685874099713
Energy: 0.9795421425132733
Energy: 0.9746004008271824
Energy: 0.9728431038021371
Energy: 0.98384220605288
Energy: 0.9807157268909106
Energy: 1.26575911375449
Energy: 0.9770858933205527
Energy: 0.9678993954799594
Energy: 1.1824756112399415
Energy: 0.9644988088004369
Energy: 1.1339231898972206
Energy: 1.3063289773912243
Energy: 0.9850423528381992
Energy: 0.9823518924709805
Energy: 0.971656193459459
Energy: 0.9884853058941191
Energy: 0.9818105086779949
Energy: 0.9992455980557176
Energy: 1.1137535974091168
Energy: 1.1124005956919063
Energy: 1.0111810577291862
Energy: 1.1238246438524055
Energy: 0.9372478035037005
Energy: 1.0535962007169648
Energy: 0.9805574677009162
Energy: 0.9802133249320111
Energy: 0.9934167420170973
Energy: 0.9813352650274294
Energy: 0.9805977739647103
Energy: 1.0512499385446965
Energy: 0.9931562637058711
Energy: 1.0685374492212474
Energy: 0.9670522010202205
Energy: 0.98982735032931
Energy: 0.9811264667420052
Energy: 1.305886034820061
Energy: 1.1187924006512078
Energy: 1.1163787101980533
Energy: 0.9660448427799995
Energy: 1.0856790944215053
Energy: 1.1153864762500447
Energy: 1.3060746614668066
Energy: 0.9664142978740743
Energy: 0.9984589801062775
Energy: 0.9776095474696537
Energy: 0.9604807035205547
Energy: 0.9945766223409463
Energy: 1.0847814724217397
Energy: 1.2763233837889187
Energy: 1.2774251626796613
Energy: 1.0863943689526188
Energy: 0.9330699532176607
Energy: 1.27773148812287
Energy: 1.0800228403328265
Energy: 0.9824032235661356
Energy: 1.0684527848864445
Energy: 0.9820226464370908
Energy: 0.9801330383151123
Energy: 0.9943789748846656
Energy: 1.1092305672800609
Energy: 0.980095904503988
Energy: 1.1418436826573695
Energy: 1.109241332241899
Energy: 0.9778912578207342
Energy: 1.1088761625902286
Energy: 0.9691885936876179
Energy: 0.9972942726036861
Energy: 0.9782522625696912
Energy: 0.9710512020856864
Energy: 0.9703246495434359
Energy: 0.9786782105879902
Energy: 1.1049363592522359
Energy: 0.9752929138229468
Energy: 0.946903277507991
Energy: 0.9331451335802214
Energy: 0.9806229630744026
Energy: 0.9467435150258379

minimum gb energy = 0.9310878930650436 eV
minimum distance =  2.2873642409895 Angstroms
sigma value = 33


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

Energy: 1.1688343043486242
Energy: 1.0867783036726888
Energy: 1.0883093643333468
Energy: 1.124109796417532
Energy: 1.085059222263665
Energy: 1.0877402026499412
Energy: 1.0914920125346719
Energy: 1.0504395032032685
Energy: 1.0482235715194619
Energy: 1.0488986266650029
Energy: 1.0462551673300404
Energy: 1.0282978262251965
Energy: 1.0485135152249039
Energy: 1.0312125299289232
Energy: 1.0293868354960163
Energy: 1.0536203375186441
Energy: 1.0276638531871465
Energy: 1.0303314386980154
Energy: 1.0433066956978436
Energy: 1.0441512656620278
Energy: 1.0266949629697237
Energy: 1.0453581897557656
Energy: 1.0281670672792806
Energy: 1.026643606727269
Energy: 1.0476413756981424
Energy: 1.0250336332186665
Energy: 1.0047497237729226
Energy: 1.0471158367747795
Energy: 1.0502618308872065
Energy: 1.003498024990841
Energy: 1.0939029279401962
Energy: 1.0246306066219426
Energy: 1.0234844250762056
Energy: 1.048159326701817
Energy: 1.0484517180789663
Energy: 1.0250401020594717
Energy: 1.0917817703693997
Energy: 1.0211936391700924
Energy: 1.0303992618739157
Energy: 1.0442976534480122
Energy: 1.0287250037288473
Energy: 1.0267347952010828
Energy: 1.0843352062448879
Energy: 1.0392857230575347
Energy: 1.0084451114106217
Energy: 0.9967458418283389
Energy: 1.0390901700504953
Energy: 0.9991352056821678
Energy: 1.0892715597367228
Energy: 1.0032020785447666
Energy: 1.0033951583780716
Energy: 1.095954873995014
Energy: 1.0055462675355924
Energy: 1.0001378535594623
Energy: 1.1599752451385075
Energy: 1.0054748267798732
Energy: 1.030646886041646
Energy: 1.0507197881802768
Energy: 1.0054017149429693
Energy: 1.0294698766633408
Energy: 1.0922555932674203
Energy: 1.0318365545810309
Energy: 1.0291572194984038
Energy: 1.0442308673455352
Energy: 1.0291152718826282
Energy: 1.0254775103760452
Energy: 1.0929630653801543
Energy: 0.9945078079513922
Energy: 0.9946493664850246
Energy: 1.048139290313326
Energy: 0.9991005976456798
Energy: 0.994546416365919
Energy: 1.0474717162273695
Energy: 0.9942316706753502
Energy: 0.9949806667887034
Energy: 1.0484511769267002
Energy: 1.0014273390302297
Energy: 0.9947100642238442
Energy: 1.0410364240061443
Energy: 1.030753845897442
Energy: 1.0264421752793529
Energy: 1.0427621061481358
Energy: 1.0674112733326875
Energy: 1.0260100464569297
Energy: 1.0055055426303008
Energy: 1.0297713171728786
Energy: 1.0276610902491086
Energy: 1.0291344611478164
Energy: 1.0766927241743955
Energy: 1.0262660582826
Energy: 1.0470876482876381
Energy: 1.0496669272402364
Energy: 1.027066824697361
Energy: 1.0686954315238284
Energy: 1.0464578660664856
Energy: 1.0266813365238192
Energy: 1.157353207174954
Energy: 1.048645472727692
Energy: 1.0275877815711405
Energy: 1.0486374571788835
Energy: 1.0481502913854746
Energy: 1.0281615152294152
Energy: 1.0878219057449716
Energy: 1.0647794012806524
Energy: 1.0028395135678145
Energy: 1.0419995390125714
Energy: 1.04652097722438
Energy: 1.0040464811080785
Energy: 1.0424856961866433
Energy: 0.9940369160824547
Energy: 0.9941961170501524
Energy: 1.013790304847181
Energy: 1.1059875801681516
Energy: 1.0276920966284446
Energy: 1.005387425997677
Energy: 0.9988196843315911
Energy: 0.9943549424194502
Energy: 1.0053679615147493
Energy: 0.9985611068934411
Energy: 1.0274299003805059
Energy: 1.0045868860998386
Energy: 1.002973726870104
Energy: 1.0040809539599684
Energy: 1.0058796750859462
Energy: 1.0309255605907142
Energy: 0.9994068772034679
Energy: 1.042015017244181
Energy: 1.0268524707809115
Energy: 1.006365763612359
Energy: 1.0417466673463998
Energy: 1.029653314995498
Energy: 1.0306209252629488
Energy: 1.046878896656044
Energy: 1.0477847943996628
Energy: 1.02902348600295
Energy: 1.0053462432473925
Energy: 1.064067582381621
Energy: 1.0066520926046783
Energy: 1.0853035634670598
Energy: 1.1024006298340163
Energy: 1.0144706295791466
Energy: 0.9950626457203062
Energy: 1.1146290921589952
Energy: 1.034555531919078
Energy: 1.0857543082035344
Energy: 1.073403930691838
Energy: 1.0504470941372228
Energy: 1.0155007310055097
Energy: 1.047121334844368
Energy: 1.0321300215232243
Energy: 1.0441330574928205
Energy: 1.029924550554901
Energy: 1.0278115814344582
Energy: 1.047315568205015
Energy: 1.0493516669293304
Energy: 1.0282549117977275
Energy: 1.0474686295648756
Energy: 1.0284329319190784
Energy: 1.0256133334400501
Energy: 1.044835223357328
Energy: 1.0471416141742032
Energy: 1.027711103862128
Energy: 1.045839256172593
Energy: 1.004763360052193
Energy: 1.0045874161114594
Energy: 1.0460462913914268
Energy: 1.0453273364784865
Energy: 1.0334254310256992
Energy: 1.0947961087591993
Energy: 1.0256764481243925
Energy: 1.026011095413814
Energy: 1.0481720431358248
Energy: 1.0282063817332119
Energy: 1.02853837180304
Energy: 1.0893124276426769
Energy: 1.0209089716153774
Energy: 1.0050583949638474
Energy: 1.046269219358494
Energy: 1.028946324660156
Energy: 1.0287599067332283
Energy: 1.1672160318731652
Energy: 1.0134522832047181
Energy: 1.0099142582928575
Energy: 0.9960031774736302
Energy: 1.042825635723422
Energy: 1.0078985642130769
Energy: 1.0918039421062662
Energy: 1.021323392964796
Energy: 0.9996804631134192
Energy: 1.0643230511353847
Energy: 1.0073358584213716
Energy: 1.004387374124208
Energy: 1.1640742544700198
Energy: 1.0026499692198372
Energy: 1.0315738889629211
Energy: 1.0495672317695295
Energy: 1.0065077665547235
Energy: 1.026747457802528
Energy: 1.0941268860883768
Energy: 1.0218091463297432
Energy: 1.030653294505506
Energy: 1.0474062343439718
Energy: 1.014422472933272
Energy: 1.0262124282196268
Energy: 1.093440728189362
Energy: 0.9947148323049447
Energy: 0.994507593467155
Energy: 1.0479391555194102
Energy: 0.9992587831930639
Energy: 0.9996743539309438
Energy: 1.0476400011073734
Energy: 0.9946103432591648
Energy: 0.9952762246286618
Energy: 1.0478859510089251
Energy: 0.994588600937368
Energy: 1.0358662371162355
Energy: 1.0424487987130422
Energy: 1.047208120373862
Energy: 1.027392566526747
Energy: 1.043913787010476
Energy: 1.050174569818487
Energy: 1.027450418324889
Energy: 1.0328214344974096
Energy: 1.027310534578535
Energy: 1.0268558950073519
Energy: 1.0137703787695151
Energy: 1.0287947657771745
Energy: 1.0263349045697459
Energy: 1.0435356612493931
Energy: 1.048860159802257
Energy: 1.026299970296722
Energy: 1.0495017218721685
Energy: 1.044770715586341
Energy: 1.0255555040251758
Energy: 1.1569412646178123
Energy: 1.0482065735081758
Energy: 1.0301043719137755
Energy: 1.0415789960983388
Energy: 1.0477946460585392
Energy: 1.0267500174634243
Energy: 1.158614233149192
Energy: 1.0471165927996269
Energy: 1.0033198734867768
Energy: 1.0431538167287062
Energy: 1.04761691787636
Energy: 1.004861590973608
Energy: 1.0409980060742725
Energy: 0.996926641369394
Energy: 0.9944731389038084
Energy: 1.0123923278032563
Energy: 1.0948222085288382
Energy: 1.0260306717935908
Energy: 1.0060706535285835
Energy: 0.9946677287812288
Energy: 0.9942815433470796
Energy: 1.006263566748635
Energy: 0.9979426167678371
Energy: 0.9946273687226105
Energy: 1.0026515758677552
Energy: 1.0042389100828857
Energy: 0.9999952108385489
Energy: 1.003954540671996
Energy: 1.0072078956362973
Energy: 1.020187883404013
Energy: 1.040284354889352
Energy: 1.0069463916757209
Energy: 1.0211849431605688
Energy: 1.0402732769545644
Energy: 1.0284186549910816
Energy: 1.040095698632204
Energy: 1.0452248063845158
Energy: 1.0271611462065806
Energy: 1.026499312397803
Energy: 1.0438763544440646
Energy: 1.0469145389062355
Energy: 1.0284707749853448
Energy: 1.2245998758568348
Energy: 1.048386173796216
Energy: 1.015407724461631
Energy: 1.0027265370874516
Energy: 1.0519665635112017
Energy: 0.9939342550744438

minimum gb energy = 0.9939342550744438 eV
minimum distance =  2.29088672148821 Angstroms
sigma value = 67


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

Energy: 1.3099380118532842
Energy: 1.0784389073723593
Energy: 1.0775556111066225
Energy: 1.0772548450085546
Energy: 1.1510279320813064
Energy: 1.0777321956203672
Energy: 1.1827968762494878
Energy: 1.0830102617648398
Energy: 1.0833969515829283
Energy: 1.1163394732279945
Energy: 1.0853108180314512
Energy: 1.0822324269050843
Energy: 1.1171551686037127
Energy: 1.0505531821488374
Energy: 1.08452628990994
Energy: 1.0853788626819079
Energy: 1.0494898513870803
Energy: 1.083959087561879
Energy: 1.1170629519982092
Energy: 1.0836292399820453
Energy: 1.083037071085534
Energy: 1.1171540681230288
Energy: 1.0835455893690438
Energy: 1.0827005848921827
Energy: 1.115067425636103
Energy: 1.0845451551406666
Energy: 1.084506510597853
Energy: 1.115302533189232
Energy: 1.0839795264769927
Energy: 1.085802506750546
Energy: 1.118802962873184
Energy: 1.0886107789886457
Energy: 1.0851101534675245
Energy: 1.1185577535655904
Energy: 1.0881020861540338
Energy: 1.1179937435136036
Energy: 1.1845907440918255
Energy: 1.0840178210904927
Energy: 1.0843910308050153
Energy: 1.1791837076588667
Energy: 1.086680631258488
Energy: 1.083682661633765

minimum gb energy = 1.0494898513870803 eV
minimum distance =  2.3159103502346 Angstroms
sigma value = 3


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

Energy: 1.6525316531041347
Energy: 1.2862324939765797
Energy: 1.2211217054267196
Energy: 1.266925812928335
Energy: 1.3298272593204845
Energy: 1.2209700819694669
Energy: 1.191414319123218
Energy: 1.2022008070301464
Energy: 1.2015313490417576
Energy: 1.200929498369688
Energy: 1.2527467191728539
Energy: 1.1858552236765736
Energy: 1.2177130137629648
Energy: 1.1893237351025878
Energy: 1.1889339453914978
Energy: 1.2183988229796008
Energy: 1.190758745310315
Energy: 1.229427444877977
Energy: 1.2200077188810057
Energy: 1.2017054571817936
Energy: 1.208053162410335
Energy: 1.2220055626608453
Energy: 1.1913858549012548
Energy: 1.2086123295448288
Energy: 1.1799520681542468
Energy: 1.203784505593187
Energy: 1.2020675372602527
Energy: 1.1806238447708062
Energy: 1.2034773742928706
Energy: 1.2086355686011707
Energy: 1.1743839845005946
Energy: 1.194824490433403
Energy: 1.1949198168787118
Energy: 1.1989304026604517
Energy: 1.20315721354765
Energy: 1.2100888055525565
Energy: 1.1775685387157993
Energy: 1.2489561451179223
Energy: 1.2169765922848021
Energy: 1.1627068846843966
Energy: 1.2425503189858467
Energy: 1.203837662215762
Energy: 1.5639440647173697
Energy: 1.2412638247792827
Energy: 1.2477806883742064
Energy: 1.2193751523513252
Energy: 1.2800591523906761
Energy: 1.2436278237071081
Energy: 1.1753457949850672
Energy: 1.195043532751118
Energy: 1.2019724145203337
Energy: 1.1639002680346304
Energy: 1.2369947077480687
Energy: 1.224754597097349
Energy: 1.2793741708718114
Energy: 1.243875061008408
Energy: 1.2437720807291908
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Energy: 1.2306917570917584
Energy: 1.2044376467601396
Energy: 1.2402908497003504
Energy: 1.207813224999255
Energy: 1.2076820129728036
Energy: 1.2448026896074962
Energy: 1.2159530610620772
Energy: 1.190919615360141
Energy: 1.241507052902207
Energy: 1.207911804075352
Energy: 1.2060221501599955
Energy: 1.2199851394255599
Energy: 1.1921705061785743
Energy: 1.2092816142297003
Energy: 1.1887256495710428
Energy: 1.2064060213334378
Energy: 1.2085992146652733
Energy: 1.1911206694275187
Energy: 1.1756845948612042
Energy: 1.202068568724503
Energy: 1.1724807712876812
Energy: 1.182693392584233
Energy: 1.176992798780523
Energy: 1.1969867417464712
Energy: 1.1792158212272206
Energy: 1.1780974509865185
Energy: 1.239595539445631
Energy: 1.2188945740935808
Energy: 1.277842930658385
Energy: 1.1956977706224865
Energy: 1.2197387848431034
Energy: 1.2183932457667368
Energy: 1.3534272037389286
Energy: 1.2226063261671742
Energy: 1.2217638871926533
Energy: 1.3543409552042034
Energy: 1.2044127877735962
Energy: 1.220892139847946
Energy: 1.3288539654045184
Energy: 1.2168078339497705
Energy: 1.23265615920036
Energy: 1.329711211744097
Energy: 1.208952833859213
Energy: 1.2448618381047514
Energy: 1.2867877746369147
Energy: 1.2159401014993316
Energy: 1.2362321354155108
Energy: 1.2833079192210766
Energy: 1.2144538632466686
Energy: 1.2192922375535307
Energy: 1.4019841341546189
Energy: 1.2360073966397105
Energy: 1.2179772354800567
Energy: 1.2305458676659666
Energy: 1.2114672276270861
Energy: 1.2259407684024208
Energy: 1.2851936724632924
Energy: 1.2293216384835086
Energy: 1.2391990290446662
Energy: 1.2275676836097023
Energy: 1.2248746845605416
Energy: 1.2259270154855328
Energy: 1.183131501825192
Energy: 1.1910118922261876
Energy: 1.1938282856362048
Energy: 1.1926435030522111
Energy: 1.1807201046247155
Energy: 1.1936035794773154
Energy: 1.1757176886590814
Energy: 1.1947105871353692
Energy: 1.20478757232563
Energy: 1.1951902117039528
Energy: 1.19600345354579
Energy: 1.2049733816582924
Energy: 1.175403517557086
Energy: 1.1964094845995654
Energy: 1.1931925504649814
Energy: 1.1776290004368064
Energy: 1.1811218946105735
Energy: 1.184903428022728
Energy: 1.2245797952940343
Energy: 1.2180533604959876
Energy: 1.2173355790620048
Energy: 1.2244182216717947
Energy: 1.2188099371552825
Energy: 1.2284379811743076
Energy: 1.2195724652618933
Energy: 1.2217013972455915
Energy: 1.208373162066799
Energy: 1.2070451984896575
Energy: 1.2420460191646583
Energy: 1.2093393255147413
Energy: 1.4029050743285976
Energy: 1.2522187995900633
Energy: 1.2039181707345183
Energy: 1.1896838747215623
Energy: 1.2828847289746566
Energy: 1.2147891295897266
Energy: 1.1675742723351281
Energy: 1.2521012366790012
Energy: 1.2666195877087618
Energy: 1.1897677035392733
Energy: 1.2622330774353288
Energy: 1.201847504891582
Energy: 1.2207883843111098
Energy: 1.2217456848927761
Energy: 1.2225215167683758
Energy: 1.2148491927334226
Energy: 1.220320302057707
Energy: 1.2091177041048853
Energy: 1.2192561412913205
Energy: 1.1898719110288127
Energy: 1.1894253520315716
Energy: 1.2192699754825174
Energy: 1.1907062025041955
Energy: 1.2171488094369256
Energy: 1.1774068975261838
Energy: 1.195877651225093
Energy: 1.1995899716400054
Energy: 1.1796578202223174
Energy: 1.2011547967491585
Energy: 1.1974457987970921
Energy: 1.1756031055340748
Energy: 1.178792797570984
Energy: 1.1957894101395337
Energy: 1.1952844496063328
Energy: 1.2225138938468987
Energy: 1.1955895126168214
Energy: 1.1780811631222672
Energy: 1.2187117240045937
Energy: 1.2030391415493495
Energy: 1.1681577347455891
Energy: 1.2446807744125323
Energy: 1.2063074208166749
Energy: 1.3450425068255831
Energy: 1.2445967437699836
Energy: 1.2220387747043449
Energy: 1.2093122457504988
Energy: 1.2442478615389463
Energy: 1.2214354988231686
Energy: 1.2864347126652795
Energy: 1.239957799269049
Energy: 1.2028559719975898
Energy: 1.2228339074712657
Energy: 1.2392469122254073
Energy: 1.2090092729236364
Energy: 1.1837597206740464
Energy: 1.1899129189016664
Energy: 1.1899674452066227
Energy: 1.1616569413817832
Energy: 1.2084771722202472
Energy: 1.207379137994319
Energy: 1.2418689982126452
Energy: 1.243837512336841
Energy: 1.243512891863696
Energy: 1.242232771520992
Energy: 1.2299926961420113
Energy: 1.205160791191315
Energy: 1.242863842590125
Energy: 1.2013380090649117
Energy: 1.2024307239429755
Energy: 1.2439804240839574
Energy: 1.1656578012930712
Energy: 1.206181993789679
Energy: 1.3271067153864553
Energy: 1.1944619223422945
Energy: 1.1951801162138982
Energy: 1.1939908598275308
Energy: 1.1958509455098758
Energy: 1.204745215169013
Energy: 1.1733416268317105
Energy: 1.1785067309776722
Energy: 1.177089018516896
Energy: 1.2038803054488052
Energy: 1.1796299962130887
Energy: 1.1981809158626684
Energy: 1.2387410238373573
Energy: 1.2181679330294786
Energy: 1.217423969152633
Energy: 1.195116873642757
Energy: 1.218867814251784
Energy: 1.209723712413147
Energy: 1.3461568127496302
Energy: 1.218353669498255
Energy: 1.2103730465535916
Energy: 1.217048169421389
Energy: 1.202345591007463
Energy: 1.2084021973520165
Energy: 1.3383415449822753
Energy: 1.1935428025961365
Energy: 1.2122721585997995
Energy: 1.352607654401977
Energy: 1.2077331265274007
Energy: 1.219451101680868
Energy: 1.2805836870563565
Energy: 1.2087293759800017
Energy: 1.2310559895957343
Energy: 1.27867904028291
Energy: 1.2081896582780387
Energy: 1.2423514882647262
Energy: 1.2920383494402194
Energy: 1.2207246419240267
Energy: 1.20873386284434
Energy: 1.2833484006896765
Energy: 1.207130188958736
Energy: 1.2205545093467058
Energy: 1.4752561392265977
Energy: 1.2273483478055884
Energy: 1.241835566688621
Energy: 1.2313051806247735
Energy: 1.226756361418047
Energy: 1.2416868098993026
Energy: 1.1752536761370318
Energy: 1.190401364414635
Energy: 1.1877754830358913
Energy: 1.1796282986395907
Energy: 1.1796821571237557
Energy: 1.186824192082506
Energy: 1.1772416055330706
Energy: 1.1945086362919008
Energy: 1.2015120982050367
Energy: 1.1937132752124906
Energy: 1.1940782373990093
Energy: 1.201674471025377
Energy: 1.1802722290217111
Energy: 1.1972439863030135
Energy: 1.1936473219865376
Energy: 1.181737663196883
Energy: 1.1872559046111413
Energy: 1.1937359207718536
Energy: 1.2208390968216754
Energy: 1.2081356470558902
Energy: 1.209120547199265
Energy: 1.2218634468958833
Energy: 1.2203436653271151
Energy: 1.2251123425290182
Energy: 1.2198467029386506
Energy: 1.2082261887550494
Energy: 1.2088037673459402
Energy: 1.2128786753063787
Energy: 1.208673399888534
Energy: 1.2224662824243666
Energy: 1.1934495114686559
Energy: 1.2490670501946395
Energy: 1.1926342771825384
Energy: 1.1760737852206964
Energy: 1.2545276966241738
Energy: 1.1860369257708288

minimum gb energy = 1.1616569413817832 eV
minimum distance =  2.24907044669882 Angstroms
sigma value = 81


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

Energy: 2.0171384871339986
Energy: 1.3368965649801496
Energy: 1.2561095266884772
Energy: 1.2572166114670669
Energy: 1.311710998320213
Energy: 1.3261688962511535
Energy: 1.1789895781728494
Energy: 1.1756506575344472
Energy: 1.2017974354133432
Energy: 1.1919395190942215
Energy: 1.1369778241555022
Energy: 1.1606507284298095
Energy: 1.3440397382443938
Energy: 1.2104829325126512
Energy: 1.2095740760924798
Energy: 1.2350153524950094
Energy: 1.2100373000777227
Energy: 1.3253709840003252
Energy: 1.2940737957266413
Energy: 1.2095636622522032
Energy: 1.2995944205161978
Energy: 1.2881686867234399
Energy: 1.210085788720143
Energy: 1.2154644368559047
Energy: 1.336705135440423
Energy: 1.3678341660982618
Energy: 1.3373996562448731
Energy: 1.2442708648044363
Energy: 1.3277404512725544
Energy: 1.342801819757734
Energy: 1.3889440479170418
Energy: 1.3368157998516008
Energy: 1.3250230080964487
Energy: 1.3457861141933516
Energy: 1.325734766166183
Energy: 1.3367563862544567
Energy: 1.3667087823827653
Energy: 1.2117217490227639
Energy: 1.2223620902430195
Energy: 1.2773741880926937
Energy: 1.324572745944399
Energy: 1.2142525453582336
Energy: 1.6332303920001492
Energy: 1.3330590397405664
Energy: 1.3346333636319534
Energy: 1.249115005482232
Energy: 1.3379715083826782
Energy: 1.2697784257222713
Energy: 1.3252550383650186
Energy: 1.2132224795991278
Energy: 1.2164149706980125
Energy: 1.2777089675297248
Energy: 1.2069331124821474
Energy: 1.214547684456156
Energy: 1.3819923007770438
Energy: 1.2874995297096998
Energy: 1.287154031527951
Energy: 1.3867889693069237
Energy: 1.2876537787378328
Energy: 1.287196812264832
Energy: 1.3375363895825336
Energy: 1.2763585538962772
Energy: 1.287571310402896
Energy: 1.2885306082361525
Energy: 1.2136947830016325
Energy: 1.2872742789526963
Energy: 1.2558747243979127
Energy: 1.2108525168226714
Energy: 1.2095501058590288
Energy: 1.2167557231543071
Energy: 1.20903774442088
Energy: 1.2115323881035485
Energy: 1.255554981974803
Energy: 1.2108381999668913
Energy: 1.2097144584155461
Energy: 1.210592067167292
Energy: 1.1813962596141123
Energy: 1.2108953264702846
Energy: 1.2965895014313633
Energy: 1.1834173802107115
Energy: 1.1812696428947056
Energy: 1.2540731232397142
Energy: 1.282194298107474
Energy: 1.1841031996997284
Energy: 1.4581339297314913
Energy: 1.3730665881368038
Energy: 1.3375321161748195
Energy: 1.3378353076000369
Energy: 1.3988050652064683
Energy: 1.337730330997711
Energy: 1.4242012301669522
Energy: 1.3468741925797691
Energy: 1.3479686889114815
Energy: 1.424071267558367
Energy: 1.3540668045780202
Energy: 1.3437206791118073
Energy: 1.414623536940873
Energy: 1.236747985325834
Energy: 1.2474938446249777
Energy: 1.4147084919960977
Energy: 1.2469480466162925
Energy: 1.2704327138192926
Energy: 1.418835535974689
Energy: 1.2789232179948025
Energy: 1.3351323521282406
Energy: 1.4576974797630364
Energy: 1.2085721219380676
Energy: 1.3386559005094611
Energy: 1.294772522996691
Energy: 1.3067325920267245
Energy: 1.2460071167798394
Energy: 1.2531181219774532
Energy: 1.3022097190147277
Energy: 1.240718273321297
Energy: 1.2946618433074382
Energy: 1.3318538609742452
Energy: 1.2461011876219972
Energy: 1.211182643301201
Energy: 1.3059878030917111
Energy: 1.241156952022033
Energy: 1.2525880052475058
Energy: 1.2110334226536636
Energy: 1.269719585596655
Energy: 1.2531020276826834
Energy: 1.2082496747868823
Energy: 1.3326599910424148
Energy: 1.2749824954149986
Energy: 1.2123766571325132
Energy: 1.2121090447367253
Energy: 1.3032195597621272
Energy: 1.2119976572226734
Energy: 1.210227586863188
Energy: 1.274835207950114
Energy: 1.299647284414347
Energy: 1.2977770633056676
Energy: 1.2770987289247084
Energy: 1.2199475181215491
Energy: 1.2810728080924818
Energy: 1.3340415076512604
Energy: 1.3974393241430814
Energy: 1.337862298517673
Energy: 1.336495842415303
Energy: 1.422901754367267
Energy: 1.3364427323324044
Energy: 1.3640211422164132
Energy: 1.276496097346484
Energy: 1.3480726570962553
Energy: 1.3313800272985388
Energy: 1.3390991540806594
Energy: 1.3586399331212975
Energy: 1.4005955032253488
Energy: 1.331498740251773
Energy: 1.3345594784184251
Energy: 1.2459070107572132
Energy: 1.3455618857748046
Energy: 1.2553008706300963
Energy: 1.400617038969576
Energy: 1.3410318195160709
Energy: 1.2547129170682585
Energy: 1.235973015105087
Energy: 1.3380805070675352
Energy: 1.215039347079498
Energy: 1.3400865823449777
Energy: 1.2778349835725245
Energy: 1.2858270908579295
Energy: 1.2897648196937195
Energy: 1.2763482534398067
Energy: 1.2878946879137114
Energy: 1.3614272868777924
Energy: 1.2877615093382284
Energy: 1.2873671645538478
Energy: 1.360331709045685
Energy: 1.2880698943492068
Energy: 1.287415656309362
Energy: 1.2671865101628328
Energy: 1.2144832246539583
Energy: 1.2145765855654298
Energy: 1.230488851580271
Energy: 1.1810174448694972
Energy: 1.2147951691218455
Energy: 1.256664756962928
Energy: 1.2456432427363688
Energy: 1.235027780991476
Energy: 1.2117956577292948
Energy: 1.2266329209685334
Energy: 1.2102971928080837
Energy: 1.310286333426378
Energy: 1.1811090546686698
Energy: 1.210128137966382
Energy: 1.2288678832913886
Energy: 1.1893521799033524
Energy: 1.210831655623012
Energy: 1.4829041561077085
Energy: 1.3302637317191042
Energy: 1.3340667697553152
Energy: 1.3491210387625758
Energy: 1.3271077523737456
Energy: 1.3432885359182387
Energy: 1.4501874448910412
Energy: 1.3336995044987316
Energy: 1.3384800551637723
Energy: 1.264522268073293
Energy: 1.3552938817805864
Energy: 1.355621788823117
Energy: 1.4210458226401625
Energy: 1.1613623660165928
Energy: 1.3131201991041634
Energy: 1.4190282324633454
Energy: 1.2442699974978202
Energy: 1.229245818642595
Energy: 1.4101953475321443
Energy: 1.236543673182859
Energy: 1.2387711029159731
Energy: 1.3230099851233847
Energy: 1.2450938268207936
Energy: 1.4313838679510953
Energy: 1.4397241686591038
Energy: 1.2421475296107831
Energy: 1.2602421307369973
Energy: 1.3365639375095206
Energy: 1.2316735696308296
Energy: 1.2854037340948945
Energy: 1.3262869868671847
Energy: 1.3040358330057682
Energy: 1.2537717657825487
Energy: 1.212733459960845
Energy: 1.2895971326851141
Energy: 1.309360417655517

minimum gb energy = 1.1369778241555022 eV
minimum distance =  2.24044408188215 Angstroms
sigma value = 43


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

Energy: 1.7702695400827784
Energy: 1.3060023467248665
Energy: 1.239770386038111
Energy: 1.2934728877149884
Energy: 1.3017605007301993
Energy: 1.2912784883464923
Energy: 1.1862720045552566
Energy: 1.1676831759272963
Energy: 1.1834073597152202
Energy: 1.1716232521881902
Energy: 1.158382098744739
Energy: 1.1780997654963887
Energy: 1.3732759704903952
Energy: 1.185790947979671
Energy: 1.1858485619069294
Energy: 1.3703728423305563
Energy: 1.1862188471824193
Energy: 1.2215916958618016
Energy: 1.172972947714087
Energy: 1.1859515356234251
Energy: 1.1740753885291046
Energy: 1.1729466929427061
Energy: 1.185855557118921
Energy: 1.1751056214679216
Energy: 1.143446068192514
Energy: 1.168877916526719
Energy: 1.1691450802310046
Energy: 1.1436642347216022
Energy: 1.1671705086333042
Energy: 1.1693102723505433
Energy: 1.144163969064674
Energy: 1.1674347758630454
Energy: 1.1682185888384742
Energy: 1.1703700989882702
Energy: 1.1696005714509377
Energy: 1.1682754657248373
Energy: 1.1444618779376654
Energy: 1.1444701390240761
Energy: 1.1443623601168722
Energy: 1.1576848298700153
Energy: 1.143729222881693
Energy: 1.1638924669535347
Energy: 1.2861163511849483
Energy: 1.221996933491031
Energy: 1.2226455124805768
Energy: 1.1669981026314993
Energy: 1.2217838075093754
Energy: 1.2220593991363393
Energy: 1.135500565084201
Energy: 1.174568168313575
Energy: 1.1747211505274346
Energy: 1.135469219372377
Energy: 1.1802774202695825
Energy: 1.1731834510132781
Energy: 1.3865523375782398
Energy: 1.2210085058800233
Energy: 1.2207652645407643
Energy: 1.2447246631650946
Energy: 1.221399033798436
Energy: 1.2214084618954664
Energy: 1.1377703319963317
Energy: 1.2164175122275183
Energy: 1.1663411347656918
Energy: 1.1623259829547332
Energy: 1.2462091503571455
Energy: 1.1836950543048133
Energy: 1.329984325128261
Energy: 1.2217840237305557
Energy: 1.2222349665888665
Energy: 1.1482567235173575
Energy: 1.2222257757962534
Energy: 1.2211935469211488
Energy: 1.3313643920018972
Energy: 1.2489652318708537
Energy: 1.2549183708277805
Energy: 1.1864628678968427
Energy: 1.2502621285665139
Energy: 1.2551221869433333
Energy: 1.1380370279751006
Energy: 1.2218808697415504
Energy: 1.1832115649199688
Energy: 1.1347438781977586
Energy: 1.1652916082022333
Energy: 1.1833134465033794
Energy: 1.1386917969650183
Energy: 1.1756281993651463
Energy: 1.176876856304734
Energy: 1.1763883916819438
Energy: 1.1654744906739105
Energy: 1.184669175384674
Energy: 1.1382560212469415
Energy: 1.1802435535954514
Energy: 1.1721268615901723
Energy: 1.1390689299833332
Energy: 1.1442164181056664
Energy: 1.1379558484074497
Energy: 1.1686883300496311
Energy: 1.1843029786311077
Energy: 1.1836833503041926
Energy: 1.1682793053387222
Energy: 1.1601310643346
Energy: 1.1838373705622112
Energy: 1.1682395732766138
Energy: 1.1834555741326558
Energy: 1.1836314552232106
Energy: 1.1634067876146958
Energy: 1.193226425729709
Energy: 1.184032699446245
Energy: 1.2616702438043912
Energy: 1.1692562485241904
Energy: 1.1834409620690023
Energy: 1.2204537886745817
Energy: 1.2613698657849894
Energy: 1.2200300301739138
Energy: 1.26061846249079
Energy: 1.168985066590892
Energy: 1.1834022268302395
Energy: 1.2208272965100957
Energy: 1.2664939670887212
Energy: 1.2134612311448598
Energy: 1.1682304790606293
Energy: 1.238685105386443
Energy: 1.168354729696095
Energy: 1.1571612023328939
Energy: 1.1731259115937531
Energy: 1.1846131207025588
Energy: 1.2854861627493592
Energy: 1.2571349732448958
Energy: 1.2554220369816147
Energy: 1.2855859972906096
Energy: 1.1882876548062646
Energy: 1.3203096061075157
Energy: 1.2195906522125002
Energy: 1.1584304868998974
Energy: 1.1589153604385498
Energy: 1.1578006156041578
Energy: 1.1667519644564945
Energy: 1.1930051646311022
Energy: 1.2411633540718499
Energy: 1.1838236285994999
Energy: 1.1841974552662726
Energy: 1.1920541376852969
Energy: 1.1681555182333572
Energy: 1.183753268995858
Energy: 1.2031005890154363
Energy: 1.1679754860755964
Energy: 1.1833626360226552
Energy: 1.186221061328212
Energy: 1.1682364312177467
Energy: 1.168997425075058
Energy: 1.2019220266741482
Energy: 1.171496108151539
Energy: 1.1825307405435508
Energy: 1.1817029335524905
Energy: 1.1384076915045935
Energy: 1.1807188397236048
Energy: 1.2013994943350088
Energy: 1.181842152601013
Energy: 1.17942914765482
Energy: 1.194661452051091
Energy: 1.179924579782557
Energy: 1.180129267284796
Energy: 1.2223817346148287
Energy: 1.178541209652543
Energy: 1.1733042934557802
Energy: 1.1649607507740112
Energy: 1.1753470489455278
Energy: 1.1445582866270756
Energy: 1.241625421160531
Energy: 1.220656125494576
Energy: 1.2205653494357216
Energy: 1.2420040014998859
Energy: 1.1677506864479918
Energy: 1.2200061490029612
Energy: 1.2214674042837754
Energy: 1.1778082996775767
Energy: 1.1831168246452761
Energy: 1.1726981748039662
Energy: 1.1393330171534488
Energy: 1.1642333738026303
Energy: 1.262108441734301
Energy: 1.3301404410666666
Energy: 1.2136734752503244
Energy: 1.2569754726367057
Energy: 1.3494000127271184
Energy: 1.186033220945705

minimum gb energy = 1.1347438781977586 eV
minimum distance =  2.27706167709381 Angstroms
sigma value = 57


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

Energy: 1.4040232275590179
Energy: 1.2798006786513687
Energy: 1.275838809914036
Energy: 1.1737557571191681
Energy: 1.3161636033261002
Energy: 1.2765138148694337
Energy: 1.0857638016668039
Energy: 1.1657436832753558
Energy: 1.1664761574878981
Energy: 1.1419506699846727
Energy: 1.1404047155597188
Energy: 1.1408675903552146
Energy: 1.132238330210057
Energy: 1.1371321559969094
Energy: 1.1369340445744531
Energy: 1.1566282304340652
Energy: 1.137056699051386
Energy: 1.1368115855838028
Energy: 1.1292590706617194
Energy: 1.1365564114488147
Energy: 1.1373292169098856
Energy: 1.1296879099549457
Energy: 1.1373292107171515
Energy: 1.130410266657263
Energy: 1.1306304855853473
Energy: 1.1414222383199621
Energy: 1.1407767181751216
Energy: 1.1313293077536906
Energy: 1.1406627792312611
Energy: 1.1406204986700732
Energy: 1.0826001752500904
Energy: 1.1403289598317878
Energy: 1.1437196207143314
Energy: 1.1406602406774273
Energy: 1.1293207274229906
Energy: 1.1434483277303098
Energy: 1.1452606362150766
Energy: 1.1283599748287578
Energy: 1.1284458484068478
Energy: 1.145878887756216
Energy: 1.129654213751605
Energy: 1.1299137465659614
Energy: 1.1264979790861667
Energy: 1.1393912161459454
Energy: 1.2098716515198096
Energy: 1.1428709354522446
Energy: 1.142019675250303
Energy: 1.1380282835696072
Energy: 1.1391853105315821
Energy: 1.1657055910290473
Energy: 1.1372670089924892
Energy: 1.140048503613132
Energy: 1.1657827239750436
Energy: 1.137302846186502
Energy: 1.3482022995453504
Energy: 1.1939888942982795
Energy: 1.193856019543922
Energy: 1.348933362479093
Energy: 1.1942222736221495
Energy: 1.1922604716337581
Energy: 1.133216856987769
Energy: 1.159578833968714
Energy: 1.1582864893054643
Energy: 1.1397941795510589
Energy: 1.1524935920606516
Energy: 1.1600477175604054
Energy: 1.082249244981663
Energy: 1.165856638857338
Energy: 1.1587806971131027
Energy: 1.0851946748791508
Energy: 1.1654520544336424
Energy: 1.1736372619393918
Energy: 1.083433189825244
Energy: 1.1379760427574788
Energy: 1.1691857346701808
Energy: 1.1746528451658302
Energy: 1.1371432708314413
Energy: 1.175523641940193
Energy: 1.1313260591933165
Energy: 1.1674700437962675
Energy: 1.1407151621105
Energy: 1.1397043289566295
Energy: 1.1403370201431888
Energy: 1.1371751375887904
Energy: 1.1341729291230926
Energy: 1.1356474108427852
Energy: 1.1365597325842087
Energy: 1.1333762702000072
Energy: 1.135572117273934
Energy: 1.1519690156612339
Energy: 1.1296070177475794
Energy: 1.1252731107862386
Energy: 1.1235736810119645
Energy: 1.1305729498485129
Energy: 1.1413826472622302
Energy: 1.1287763956201997
Energy: 1.13108045854612
Energy: 1.1400131925564239
Energy: 1.139990581897239
Energy: 1.1289658274430965
Energy: 1.140430907955323
Energy: 1.1397144049818566
Energy: 1.1309674825108722
Energy: 1.1277926201537558
Energy: 1.1409009949177995
Energy: 1.1308388874043627
Energy: 1.1310717435671718
Energy: 1.1397780694676083
Energy: 1.1455309053152738
Energy: 1.132313621611846
Energy: 1.137116573215692
Energy: 1.1304426718369116
Energy: 1.132280889645088
Energy: 1.1364729604809116
Energy: 1.147333884761903
Energy: 1.1374188560034348
Energy: 1.1371841136883374
Energy: 1.136950302536411
Energy: 1.137119684304456
Energy: 1.1369234872924772
Energy: 1.1405949268427347
Energy: 1.167553814028255
Energy: 1.1685769479223787
Energy: 1.1409864909480125
Energy: 1.173965102554675
Energy: 1.160278432268684
Energy: 1.3622471785407446
Energy: 1.1375780174333778
Energy: 1.160434820892344
Energy: 1.3627430236996176
Energy: 1.137157564963973
Energy: 1.177640116961574
Energy: 1.1309275194504662
Energy: 1.167805703123084
Energy: 1.1667989328133657
Energy: 1.1397872131813684
Energy: 1.1406469205437002
Energy: 1.16663610932731
Energy: 1.0836829624695865
Energy: 1.1386427995403336
Energy: 1.1699611833101093
Energy: 1.1752357828090063
Energy: 1.2318801851730807
Energy: 1.1770520772436999

minimum gb energy = 1.082249244981663 eV
minimum distance =  2.22323689890663 Angstroms
sigma value = 17


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

Energy: 1.5956861109784493
Energy: 1.2586466710844824
Energy: 1.2551203391619303
Energy: 1.081113190717781
Energy: 1.1341822128599963
Energy: 1.0795888382089203
Energy: 1.0250551744690355
Energy: 1.1299436748757754
Energy: 1.1298372555882943
Energy: 1.142272203655931
Energy: 1.1202981524526452
Energy: 1.1118419628542735
Energy: 1.3083784900650068
Energy: 1.047739940801253
Energy: 1.0484713241866501
Energy: 1.1308748687297168
Energy: 1.048851152815026
Energy: 1.0488330402121488
Energy: 1.1173252366998747
Energy: 1.0490222385597034
Energy: 1.0365059332210196
Energy: 1.117295497363571
Energy: 1.050110864755148
Energy: 1.1178462361601396
Energy: 1.118112053659
Energy: 1.0494313526516008
Energy: 1.0722086284052466
Energy: 1.1180494193792594
Energy: 1.037739088642363
Energy: 1.0670252636953854
Energy: 1.0245663400295906
Energy: 1.0496563023487788
Energy: 1.0500335945297259
Energy: 1.0357797138109344
Energy: 0.997498660016046
Energy: 1.0343476776934568
Energy: 0.9975858026209724
Energy: 0.9970980017205351
Energy: 0.9970608837085857
Energy: 0.9984839754984719
Energy: 0.998408871977215
Energy: 1.0219022318985789
Energy: 0.9974488867288501
Energy: 1.03808909142045
Energy: 1.050077485027892
Energy: 1.0384144835874354
Energy: 1.038012062807124
Energy: 1.0483827317321772
Energy: 0.9999533938728117
Energy: 1.0436326387958406
Energy: 1.04147817070561
Energy: 1.0014296221201544
Energy: 1.0383672890616809
Energy: 0.9973693982088047
Energy: 0.996990289785081
Energy: 1.0665829984404696
Energy: 1.0658011048323883
Energy: 0.997128515263673
Energy: 1.0668701163257255
Energy: 1.048962784092765
Energy: 0.9981801227937285
Energy: 1.0663065582590894
Energy: 1.0657991914463067
Energy: 1.0374903432044449
Energy: 1.1179308692527807
Energy: 1.0483931263622421
Energy: 1.1191789340076534
Energy: 1.1177230449694466
Energy: 1.1177726920249107
Energy: 1.1193747400130325
Energy: 1.117852623518721
Energy: 1.1183457475175387
Energy: 1.115639703785725
Energy: 1.129874042114135
Energy: 1.1292082926415283
Energy: 1.0491500718435265
Energy: 1.117935463652855
Energy: 1.1557252471263402
Energy: 1.1304669826032576
Energy: 1.1303983844584014
Energy: 1.1550834417316929
Energy: 1.1308412347718104
Energy: 1.1190243537757651
Energy: 1.0959684334321886
Energy: 1.2319856806359506
Energy: 1.1274986162624472
Energy: 1.1271839851097716
Energy: 1.1333159254316258
Energy: 1.1281241530357753
Energy: 1.2171247453520693
Energy: 1.2380187604998774
Energy: 1.1631371383847129
Energy: 1.1109267173786086
Energy: 1.1205760677194194
Energy: 1.1314358019612973
Energy: 1.1539397240768898
Energy: 1.214167280841617
Energy: 1.1289140531661355
Energy: 1.209649694848358
Energy: 1.0519936722751342
Energy: 1.1297718899985763
Energy: 1.209246639243068

minimum gb energy = 0.996990289785081 eV
minimum distance =  2.25848699657007 Angstroms
sigma value = 17


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

Energy: 1.6841889190983443
Energy: 1.199416794555122
Energy: 1.0835268830510698
Energy: 1.0360162628943836
Energy: 1.0949894656738515
Energy: 1.086435850037559
Energy: 1.180012952877535
Energy: 1.0856644715990118
Energy: 1.0991385828912275
Energy: 1.079308443126233
Energy: 1.0793425803562924
Energy: 1.0433722126150669
Energy: 1.240101349961429
Energy: 0.9742579964192496
Energy: 1.038838668586484
Energy: 1.077971904585076
Energy: 0.9742472101714671
Energy: 1.0388749984229857
Energy: 1.0806764878976658
Energy: 1.0395192227283834
Energy: 1.018682418536034
Energy: 1.0807218228116597
Energy: 0.9721421540031433
Energy: 0.9963947772685038
Energy: 0.968147762329093
Energy: 0.9935346644327027
Energy: 1.0082716670326997
Energy: 0.9693031121190464
Energy: 0.9874556070965711
Energy: 1.010099065431833
Energy: 0.9951114241784115
Energy: 0.9530324342110242
Energy: 0.971693648445464
Energy: 0.9740428043575815
Energy: 0.9538723252465934
Energy: 0.9722129593739279
Energy: 0.8963926261670971
Energy: 0.9541617990746097
Energy: 0.9537770709631933
Energy: 0.9483223256206742
Energy: 0.9560137248711377
Energy: 0.9624976581448055
Energy: 0.8955692791534153
Energy: 0.9481427250018575
Energy: 0.9606733574636809
Energy: 0.9703954605828627
Energy: 0.9487015375889956
Energy: 0.9883995144710539
Energy: 0.8970726648990343
Energy: 0.9618139357260271
Energy: 0.9354069498586266
Energy: 0.8986713582212527
Energy: 1.0081958438518357
Energy: 0.8969165518896826
Energy: 0.8973354460245593
Energy: 0.9546608242720472
Energy: 0.9548689444780548
Energy: 0.897050476495909
Energy: 0.9555080608690946
Energy: 0.9547851119662802
Energy: 0.896767333120296
Energy: 0.8958152951501982
Energy: 0.9620621998685851
Energy: 0.9546641980262919
Energy: 0.8974869300840328
Energy: 0.9619107245846888
Energy: 0.9008605657591865
Energy: 0.896811551248062
Energy: 0.8969000462709255
Energy: 0.9041647446045261
Energy: 0.8962552069332879
Energy: 0.9368327352947359
Energy: 0.9527469344872885
Energy: 0.9639641632567527
Energy: 0.9686306031367268
Energy: 0.9612725614564317
Energy: 0.9854615457308592
Energy: 0.9605747215622297
Energy: 0.9534256150870435
Energy: 0.9720741784442809
Energy: 0.9815690151112132
Energy: 0.954009423133131
Energy: 0.970553306856541
Energy: 0.9541488345150042
Energy: 0.9542617184070705
Energy: 0.962600966033163
Energy: 0.9624439605588314
Energy: 0.9540682521121008
Energy: 0.9834408287162189
Energy: 1.0060085288911085
Energy: 1.1630887625066595
Energy: 1.077952136465508
Energy: 1.0066035969355098
Energy: 0.987549349112836
Energy: 1.077652891141217
Energy: 1.008765902473062
Energy: 0.8992211702310796
Energy: 1.0799486875402888
Energy: 1.0786902905385751
Energy: 0.9531025784419228
Energy: 1.0802686441065819
Energy: 0.9912106856313003
Energy: 0.9695142803001862
Energy: 1.08221610906639
Energy: 1.09887646774435
Energy: 1.001373992374912
Energy: 1.0786942620912008
Energy: 0.9878458007037251
Energy: 1.1708768412779733
Energy: 1.0779115660423935
Energy: 1.0430124040158317
Energy: 1.079888375711727
Energy: 0.9879244374925458
Energy: 1.0088980944562187
Energy: 1.241969053618633
Energy: 0.9985245917101362
Energy: 0.999133637368264
Energy: 1.151566525223028
Energy: 0.9957588437592014
Energy: 1.0895007418002634
Energy: 1.1947521930059049
Energy: 1.0843927920595824
Energy: 1.0820117149512207
Energy: 1.0800705925045042
Energy: 1.0834449609043704
Energy: 1.100058857893528
Energy: 0.9109575422219749
Energy: 1.085674319431237
Energy: 1.1589480211104781
Energy: 1.0053393321474864
Energy: 1.0911137802057063
Energy: 1.000855403817294
Energy: 1.0491489245507628
Energy: 1.0841482787232462
Energy: 1.0995295678520691
Energy: 1.0492653681006106
Energy: 1.084182813871839
Energy: 1.1573791900385655
Energy: 1.2547550527959632
Energy: 1.0184959479811537
Energy: 1.0986812712713045
Energy: 1.0811948479084625
Energy: 1.0781095529250182
Energy: 1.0995858265476195
Energy: 1.0767453946800196
Energy: 0.9743251717020315
Energy: 1.0385778307346436
Energy: 1.077144709561262
Energy: 0.9748931699250666
Energy: 1.0071607740193986
Energy: 1.0809240582265325
Energy: 0.9932159920886882
Energy: 1.0106789654899866
Energy: 1.0822378690746575
Energy: 0.9910065717968873
Energy: 1.0279873528771184
Energy: 0.9954559289456562
Energy: 0.9928097168057164
Energy: 1.0058307986743094
Energy: 0.9736498772902134
Energy: 0.9971014187885862
Energy: 0.971975955119552
Energy: 0.9530491747803603
Energy: 0.9538765077083403
Energy: 0.9536992212724295
Energy: 0.9539493361341755
Energy: 0.9552770680216541
Energy: 0.953970358558307
Energy: 0.8962229977842454
Energy: 0.9677928437816941
Energy: 0.9687638262939434
Energy: 0.9637299271355236
Energy: 0.9549738388980938
Energy: 0.9732634694104675
Energy: 0.896788902695568
Energy: 0.9483280493889885
Energy: 0.9607457065093441
Energy: 0.897004051203312
Energy: 0.9488869979088832
Energy: 0.9605934433978343
Energy: 0.9022179484824148
Energy: 0.9579674660600174
Energy: 0.9563171142309274
Energy: 0.8971260056453876
Energy: 0.9544581954229944
Energy: 0.9344610217227097
Energy: 0.8985482213455084
Energy: 0.9586500111639538
Energy: 0.9575157509594987
Energy: 0.9584590028895429
Energy: 0.9640988822997593
Energy: 0.9568493399020492
Energy: 0.9100644257653441
Energy: 0.8969454720801164
Energy: 0.8972698071438941
Energy: 0.91027297476354
Energy: 0.8972804484125175
Energy: 0.8970414816783697
Energy: 0.9547046251971846
Energy: 0.9608802274081342
Energy: 0.9693082887529059
Energy: 0.9834627996736061
Energy: 0.9350292511230875
Energy: 0.9687215017648182
Energy: 0.9546999197449305
Energy: 0.9679990048753756
Energy: 0.9677549384554158
Energy: 0.9547627282419261
Energy: 0.9696631697313268
Energy: 0.9692192820804905
Energy: 0.9540704790680601
Energy: 0.9621442205942967
Energy: 1.0060840210691644
Energy: 0.9541593697617636
Energy: 0.9620726282304409
Energy: 0.9877567439792074
Energy: 1.1745943147413027
Energy: 1.0063492697147687
Energy: 1.006678130800959
Energy: 0.9907488104184276
Energy: 0.9880408877357675
Energy: 1.0089371043743585
Energy: 0.8962531216550035
Energy: 1.0790093484272332
Energy: 1.078586073295417
Energy: 0.9693347296253677
Energy: 1.080222299147918
Energy: 1.0780588232574622
Energy: 1.0769507183703377
Energy: 1.0821456649513173
Energy: 0.9891696945117611
Energy: 1.008655403420623
Energy: 1.1517770840682715
Energy: 0.993727129439126
Energy: 1.1714892877769252
Energy: 1.0802443136241047
Energy: 1.0822795529885971
Energy: 1.0826508968096318
Energy: 1.0831213301125902
Energy: 1.052513465496522
Energy: 1.1772750901255293
Energy: 0.9945393201114774
Energy: 1.1001933998790978
Energy: 1.0780748283563264
Energy: 0.9943692543477525
Energy: 1.0779834271386914
Energy: 1.2586483642289281
Energy: 1.0458526146028895
Energy: 1.0992685882823996
Energy: 1.0825750724315915
Energy: 0.9678314706206121
Energy: 1.0997350745176395
Energy: 1.0477666912599122
Energy: 1.0839604703108374
Energy: 1.0992149218249616
Energy: 1.0481385876072762
Energy: 1.0840504270355409
Energy: 1.1571018168302445

minimum gb energy = 0.8955692791534153 eV
minimum distance =  2.23757105466881 Angstroms
sigma value = 57


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

Energy: 1.0489326573561344
Energy: 1.1354167948614284
Energy: 0.9990974633068319
Energy: 0.9599777057930049
Energy: 1.3735804897310508
Energy: 0.9967974918142107
Energy: 1.1192372868477174
Energy: 1.0323283105073873
Energy: 1.0562441218302399
Energy: 1.0332724673452702
Energy: 1.0350613712709376
Energy: 0.9438206262207918
Energy: 1.170066898950349
Energy: 0.9266393152045044
Energy: 0.9271833054324273
Energy: 1.034647462584597
Energy: 0.9262911623393453
Energy: 0.9551201502860669
Energy: 1.038506465209301
Energy: 0.9263225139390309
Energy: 0.9600686693256449
Energy: 1.0394074692363469
Energy: 0.8973502506051562
Energy: 0.9612345215798087
Energy: 1.028696025359989
Energy: 0.9487355559965893
Energy: 0.9606612269035691
Energy: 1.0298942105807298
Energy: 0.9454696491303742
Energy: 0.9667977846446919
Energy: 0.8746934224774661
Energy: 0.9190597876165263
Energy: 0.9249376816056081
Energy: 0.892297657356059
Energy: 0.9193440968863664
Energy: 0.924778326979917
Energy: 1.0718489480145221
Energy: 0.9198585733462111
Energy: 0.9196080933288661
Energy: 0.9244210686533434
Energy: 0.9241654226651137
Energy: 0.9253256236226531
Energy: 1.0736761775583985
Energy: 0.8912037339732062
Energy: 0.904751871397326
Energy: 0.9357975722163075
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Energy: 0.9200253313228256
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Energy: 0.9088781347426591
Energy: 0.853277568323398
Energy: 0.8569882104357831
Energy: 1.0539556563957144
Energy: 0.8531788210150577
Energy: 0.8536202949247743
Energy: 0.9068153471585375
Energy: 0.9061414732034216
Energy: 0.8532973945380193
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Energy: 0.9075535100964618
Energy: 0.8280280238883532
Energy: 0.8218116805589336
Energy: 0.894995121604498
Energy: 0.8793420657834674
Energy: 0.8223581014928215
Energy: 0.8967803790723338
Energy: 0.9595252095891652
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Energy: 0.8220792804138564
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Energy: 0.8282798856248201
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Energy: 0.8239484629392548
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Energy: 0.8244230771350504
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Energy: 0.8221390086764668
Energy: 0.904187880405867
Energy: 0.8859046279830962
Energy: 0.8221872999786586
Energy: 0.9058516431717535
Energy: 0.8859277312772754
Energy: 1.0548165995473784
Energy: 0.8539495697982515
Energy: 0.9045878870214253
Energy: 0.9042479173123765
Energy: 0.8538623784058047
Energy: 0.90244619538484
Energy: 0.8680640090248103
Energy: 0.8532686219071629
Energy: 0.8528976789541364
Energy: 0.8963538651270914
Energy: 0.8528525992791348
Energy: 0.9169701796940735
Energy: 0.9770061652670021
Energy: 0.9119800173764168
Energy: 0.9133001987804191
Energy: 0.9769056500278949
Energy: 0.9127474184588208
Energy: 0.9177053209926495
Energy: 0.920312930832356
Energy: 0.9278375511116608
Energy: 0.9195068855842294
Energy: 0.9222813443000049
Energy: 0.9275916569852883
Energy: 0.9197364557235257
Energy: 1.1073234529582858
Energy: 0.9271484400963965
Energy: 0.9272330416385495
Energy: 0.9471567832373331
Energy: 0.9098536355406808
Energy: 0.9630186682013744
Energy: 1.1061839763116244
Energy: 1.0389420416095234
Energy: 0.9469438089195651
Energy: 0.9465479619663101
Energy: 1.04179547611992
Energy: 0.9565321013793276
Energy: 1.0070495653086584
Energy: 1.0329903873817452
Energy: 0.9194408789053098
Energy: 0.9105962026353517
Energy: 1.0334303195173185
Energy: 0.9426253160074919
Energy: 0.9379295028048286
Energy: 1.030446905135303
Energy: 1.0294708772656798
Energy: 0.9472969473929117
Energy: 1.0387112952440791
Energy: 1.0302937198062048
Energy: 1.1129299197281795
Energy: 0.9472155612983888
Energy: 0.9418811079044859
Energy: 1.0346706453224965
Energy: 0.9464633626602321
Energy: 0.963105215149587
Energy: 1.1782197032577313
Energy: 0.9435090361887701
Energy: 0.9469482550908674
Energy: 1.033863221214659
Energy: 0.94393126962401
Energy: 1.0292854662275202
Energy: 1.1312321473912261
Energy: 1.0376102204091138
Energy: 1.0341814208112838
Energy: 1.0365385769978355
Energy: 1.0383437748648348
Energy: 1.0314569811074301
Energy: 0.9616506800613646
Energy: 1.038622534808065
Energy: 0.9615798312216924
Energy: 0.9270467958200205
Energy: 1.0415265290548827
Energy: 0.9556536442400487

minimum gb energy = 0.8216375424808106 eV
minimum distance =  2.29467032525496 Angstroms
sigma value = 43


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

Energy: 0.9291483303387372
Energy: 1.0067506604699918
Energy: 0.9168293245951225
Energy: 0.8253021877816191
Energy: 0.9342023564639113
Energy: 0.8652141984478575
Energy: 0.976959084707774
Energy: 0.9108924390658687
Energy: 0.8369250381941334
Energy: 0.9105103833581792
Energy: 0.9135740446717627
Energy: 0.8350506119575319
Energy: 1.01449382203122
Energy: 0.7910246498959379
Energy: 0.8183947774193091
Energy: 0.9110652308602428
Energy: 0.7911088955870867
Energy: 0.8195037230845228
Energy: 0.9131487376600953
Energy: 0.8181085699524119
Energy: 0.8056959186115579
Energy: 0.9131546765551446
Energy: 0.9125152939567016
Energy: 0.8580701572022614
Energy: 0.8994509954917845
Energy: 0.8382925190632151
Energy: 0.8378495185233382
Energy: 0.8990498341559182
Energy: 0.8268992088538081
Energy: 0.8260592543902363
Energy: 0.7455945516943863
Energy: 0.8243792420356103
Energy: 0.8140437476436653
Energy: 0.7703544540443024
Energy: 0.8242507384371318
Energy: 0.7878209906728602
Energy: 0.9433767608625477
Energy: 0.8243021969583402
Energy: 0.8239680424734881
Energy: 0.8134632102399182
Energy: 0.8246789695776174
Energy: 0.8117268176352426
Energy: 0.9410585682484245
Energy: 0.7660441691151603
Energy: 0.7826546338931474
Energy: 0.8009109593988956
Energy: 0.7660702144935416
Energy: 0.7826080019482621
Energy: 0.7699422085947847
Energy: 0.7824191052248912
Energy: 0.7670825847544297
Energy: 0.7716985393369689
Energy: 0.9145030417508584
Energy: 0.7672488200629942
Energy: 0.7435874934656412
Energy: 0.7871068349062161
Energy: 0.7875206433489997
Energy: 0.7668764217804799
Energy: 0.78641068960671
Energy: 0.7853406865821596
Energy: 0.8874415183898753
Energy: 0.7289246107702527
Energy: 0.7726039456446133
Energy: 0.7586311184360096
Energy: 0.7289623906573721
Energy: 0.7639098504806175
Energy: 0.9057511301389868
Energy: 0.729328915679714
Energy: 0.7290855367719364
Energy: 0.8451658295472269
Energy: 0.7293717473102763
Energy: 0.7772637879058778
Energy: 0.9064836352985196
Energy: 0.7659271464941554
Energy: 0.770527940641318
Energy: 0.9090061845861908
Energy: 0.7562486473308895
Energy: 0.7833834171200611
Energy: 0.706329327125004
Energy: 0.8391569909750303
Energy: 0.705899625083705
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Energy: 0.8931816579745937
Energy: 0.706442564805179
Energy: 0.7061121765795187
Energy: 0.7540931575347412
Energy: 0.760777384362407
Energy: 0.705958596653391
Energy: 0.7555528190817252
Energy: 0.7611809497675744
Energy: 0.7939762947895466
Energy: 0.6952986962668001
Energy: 0.6954796705784299
Energy: 0.7527823933388339
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Energy: 0.7571980101719917
Energy: 0.8864095006451547
Energy: 0.6953165200740634
Energy: 0.6948484758810429
Energy: 0.829471280792692
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Energy: 0.7555786330606094
Energy: 0.6987289701005245
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Energy: 0.755251533438533
Energy: 0.698004011077395
Energy: 0.7649406368358659
Energy: 0.754797904795061
Energy: 0.6951805615486942
Energy: 0.8869083225104438
Energy: 0.6950291904365231
Energy: 0.6967311732977575
Energy: 0.8906516233971902
Energy: 0.6950676640160307
Energy: 0.89675393253981
Energy: 0.763542226133115
Energy: 0.7632453460529504
Energy: 0.8991788964008925
Energy: 0.7687671652218427
Energy: 0.7622850070101217
Energy: 0.8952025991525824
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Energy: 0.7057998436414157
Energy: 0.7633317742445458
Energy: 0.7062041037203751
Energy: 0.7628743035820342
Energy: 0.6956268526067252
Energy: 0.7061297470912947
Energy: 0.7062896223420377
Energy: 0.7590013725366733
Energy: 0.706320044023551
Energy: 0.7583818619666709
Energy: 0.7289740657434002
Energy: 0.7603128070739846
Energy: 0.7602292469613445
Energy: 0.7289309291442159
Energy: 0.7618704847882208
Energy: 0.7613761266018577
Energy: 0.7293025646742638
Energy: 0.8481307885872557
Energy: 0.7290438559168879
Energy: 0.7315887181728865
Energy: 0.9064733707630247
Energy: 0.7297259000058397
Energy: 0.9205169908968971
Energy: 0.7708421375924301
Energy: 0.7735293540662924
Energy: 0.8684193778576483
Energy: 0.7613951533555476
Energy: 0.786664938808166
Energy: 0.9224567783025577
Energy: 0.7669627953628688
Energy: 0.7668001959840776
Energy: 0.7981152732537539
Energy: 0.7671412458828953
Energy: 0.799234762972488
Energy: 0.8932862560735342
Energy: 0.7669175861305709
Energy: 0.7882332988594305
Energy: 0.7628615244725941
Energy: 0.7667928842224622
Energy: 0.7752157672004801
Energy: 0.8363070107094298
Energy: 0.7895499058983257
Energy: 0.7984457065133652
Energy: 0.8653478959666667
Energy: 0.7900969354230639
Energy: 0.7980674112607099
Energy: 0.827378264599907
Energy: 0.7997990033039891
Energy: 0.8243428102433499
Energy: 0.8291041715624453
Energy: 0.9222855136454285
Energy: 0.8244819194279852
Energy: 0.9679114926375084
Energy: 0.7785003305234992
Energy: 0.8004888525273337
Energy: 0.8374906856630371
Energy: 0.7784725091420232
Energy: 0.8008053487447727
Energy: 0.9663370888800344
Energy: 0.8375725571366291
Energy: 0.8391511207684483
Energy: 0.8397730904202496
Energy: 0.841887629222217
Energy: 0.8374229050873965
Energy: 0.7714604038528844
Energy: 0.9105739263962951
Energy: 0.8287825997420719
Energy: 0.7835020187405114
Energy: 0.9104286792245874
Energy: 0.8072104636955608
Energy: 0.9051645134503181
Energy: 0.9105643575449944
Energy: 0.910440472991482
Energy: 0.8398907687329629
Energy: 0.9143723044725994
Energy: 0.898855560821432
Energy: 0.9720275219009952
Energy: 0.8339621953133132
Energy: 0.8186150058557837
Energy: 0.9119973621207316
Energy: 0.922410959961752
Energy: 0.9103823474560019
Energy: 1.0142999409597515
Energy: 0.811141796517408
Energy: 0.8425305493319953
Energy: 0.911226348719403
Energy: 0.8113665822399625
Energy: 0.8424935943676136
Energy: 0.9769590859465536
Energy: 0.910984032162834
Energy: 0.8985874529081708
Energy: 0.9105794530778009
Energy: 0.91441271085325
Energy: 0.8989242215718779

minimum gb energy = 0.6948484758810429 eV
minimum distance =  2.23187578500476 Angstroms
sigma value = 81


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

Energy: 0.44556102865646807
Energy: 0.4895247865018479
Energy: 0.11789027978367926
Energy: 0.1197374520839164
Energy: 0.6588577278733536
Energy: 0.445827816906307
Energy: 0.49104707385930674
Energy: 0.7296111943107837
Energy: 0.6537640933652307
Energy: 0.8270676294262269
Energy: 0.6539898463832668
Energy: 0.7283099030669092
Energy: 0.7652252910779742
Energy: 0.11759498913003998
Energy: 0.11756919752146211
Energy: 0.8257962638914937
Energy: 0.11743924581106847
Energy: 0.16892935164109654
Energy: 0.7803125329016997
Energy: 0.11766361978229274
Energy: 0.11739080759145336
Energy: 0.7470583790735568
Energy: 0.11745676671477563
Energy: 0.16794540708407238
Energy: 0.1672616517955871
Energy: 0.784620625528004
Energy: 0.7746785735063699
Energy: 0.16857116813307793
Energy: 0.7753031880921447
Energy: 0.7821346132743762
Energy: 0.11860882785398277
Energy: 0.7874150068463932
Energy: 0.11757828420379239
Energy: 0.11715630874830463
Energy: 0.7889891635416192
Energy: 0.11759740620016977
Energy: 0.8262040461008785
Energy: 0.729428554985165
Energy: 0.7267637702678208
Energy: 0.8356886283358973
Energy: 0.7289905499279563
Energy: 0.7460198969867444
Energy: 0.8219292313528705
Energy: 0.11750482268467824
Energy: 0.11764229055164305
Energy: 0.7150678015965998
Energy: 0.11746802618182851
Energy: 0.11750317815920988
Energy: 0.7216357358755567
Energy: 0.11772492538694215
Energy: 0.16833997033220974
Energy: 0.7758921139120877
Energy: 0.11767050152291472
Energy: 0.1697785360191714
Energy: 0.44581369418472344
Energy: 0.7860241069296308
Energy: 0.6999197590594696
Energy: 0.11738967433970413
Energy: 0.72628992157332
Energy: 0.7858451055798762

minimum gb energy = 0.11715630874830463 eV
minimum distance =  2.40349329331149 Angstroms
sigma value = 3


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

Energy: 0.9427695546379209
Energy: 0.9423272876501614
Energy: 0.9176706725947843
Energy: 0.8854032433996196
Energy: 0.9031493316440002
Energy: 0.884819262437889
Energy: 0.8895129804848042
Energy: 0.9084492795652845
Energy: 0.8996723149917479
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Energy: 0.9125051836535024
Energy: 0.8981700290932363
Energy: 0.9329348070318996
Energy: 0.854947341282415
Energy: 0.8547476422880748
Energy: 0.9048596413845408
Energy: 0.8563772973844109
Energy: 0.8849127811178162
Energy: 0.8596057724887524
Energy: 0.8569558804416313
Energy: 0.8547318148404528
Energy: 0.8591726893443347
Energy: 0.8752458026389057
Energy: 0.89342851033046
Energy: 0.8440954463575594
Energy: 0.8996369739357333
Energy: 0.8991651827885654
Energy: 0.8440777089648737
Energy: 0.9127938825030888
Energy: 0.8984722552749425
Energy: 0.8467285368840304
Energy: 0.8948567490114535
Energy: 0.859880481546599
Energy: 0.8290131954791728
Energy: 0.8937502366747982
Energy: 0.8287860455384127
Energy: 0.8589030737489423
Energy: 0.8498777272909838
Energy: 0.8502150288893212
Energy: 0.8592152833545964
Energy: 0.7983080622705856
Energy: 0.8506863925076239
Energy: 0.8604584316873866
Energy: 0.8322863695820044
Energy: 0.8319721393602322
Energy: 0.859565592841871
Energy: 0.8019552298417478
Energy: 0.8319282814346302
Energy: 0.858946361557508
Energy: 0.8316034038336247
Energy: 0.8658688782048615
Energy: 0.8666306456063988
Energy: 0.8510689784167582
Energy: 0.866527230392568
Energy: 0.8565667789116607
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Energy: 0.8131935502904165
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Energy: 0.8368933491056235
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Energy: 0.8385086593884877
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Energy: 0.7523167509012355
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Energy: 0.8089748834505992
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Energy: 0.8050180862514473
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Energy: 0.8082465684665169
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Energy: 0.7943104944651886
Energy: 0.7941747092898005
Energy: 0.7870964151538351
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Energy: 0.7972712272650743
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Energy: 0.7945084090649998
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Energy: 0.7214434377175825
Energy: 0.7925113518167187
Energy: 0.7950322729294582
Energy: 0.7205536460508367
Energy: 0.8131512616300707
Energy: 0.7200057249049631
Energy: 0.7211049346405743
Energy: 0.8081568133535184
Energy: 0.8083653793928358
Energy: 0.7211640822996676
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Energy: 0.8119069159046135
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Energy: 0.7511815827282401
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Energy: 0.7516206799289883
Energy: 0.7515162294514339
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Energy: 0.8168763434631681
Energy: 0.8295217730332891
Energy: 0.7923877650867253
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Energy: 0.8142380638165619
Energy: 0.767423832916665
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Energy: 0.8648911272308212
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Energy: 0.867314143613005
Energy: 0.864574837441517
Energy: 0.8326902495970733
Energy: 0.8511794027033689
Energy: 0.85126350234232
Energy: 0.8136017737927885
Energy: 0.861000308041968
Energy: 0.813054665287417
Energy: 0.8499602638659706
Energy: 0.8508123679046999
Energy: 0.8497119656559705
Energy: 0.8500551775390731
Energy: 0.8617802776502052
Energy: 0.8656777137400709
Energy: 0.898596935412256
Energy: 0.846189813990802
Energy: 0.8460823885541955
Energy: 0.8985219502849124
Energy: 0.8104647124437615
Energy: 0.846071262528916
Energy: 0.9418500711092987
Energy: 0.8454062345209051
Energy: 0.8709882438282677
Energy: 0.912711658304535
Energy: 0.8165664368077575
Energy: 0.8986520707893243
Energy: 0.8160008609786028
Energy: 0.8588060918318482
Energy: 0.8588760877378186
Energy: 0.8158827918099656
Energy: 0.8636315180803262
Energy: 0.8696601502785634

minimum gb energy = 0.7052537811393174 eV
minimum distance =  2.22467978659227 Angstroms
sigma value = 67


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

Energy: 1.0607158843125952
Energy: 1.0899796495232918
Energy: 1.0270975872506827
Energy: 0.9969763403107924
Energy: 1.1046091322069083
Energy: 1.0233316213540682
Energy: 1.0181565770339849
Energy: 1.0467558161593282
Energy: 1.0400428295728272
Energy: 1.0417052342240565
Energy: 1.041411553955913
Energy: 1.024902536278161
Energy: 1.085328188348279
Energy: 0.9813025538727661
Energy: 1.021373773440391
Energy: 1.042369165759271
Energy: 0.9811815997415329
Energy: 1.0211481473555626
Energy: 0.9805234062829519
Energy: 1.0211496082103477
Energy: 1.0217889505828266
Energy: 0.9808093641590668
Energy: 1.018461387176982
Energy: 1.0217122852170804
Energy: 0.9763850679367291
Energy: 1.029707606571931
Energy: 1.0243679818592364
Energy: 0.9766547764864794
Energy: 1.0458509155958278
Energy: 1.0247771935404224
Energy: 0.9694017635513099
Energy: 1.0244503847428903
Energy: 0.9816896273042937
Energy: 0.9825653809945837
Energy: 1.022443930429367
Energy: 0.9821678549174976
Energy: 0.9769230383481223
Energy: 0.965177938124637
Energy: 1.024698767733729
Energy: 0.9773841699207838
Energy: 0.965009679933062
Energy: 0.9602147038745327
Energy: 0.9801439197589591
Energy: 0.9592404171640131
Energy: 0.9597893730063742
Energy: 0.9796193668026825
Energy: 0.9594450087745636
Energy: 0.9848370028151019
Energy: 0.9724358781172326
Energy: 0.9840285925652904
Energy: 0.9836217560344565
Energy: 0.9839186947294982
Energy: 0.9047986525431628
Energy: 0.9886578701080765
Energy: 0.9770024674069606
Energy: 0.9072206101899298
Energy: 0.9067035913741083
Energy: 0.9783524839878456
Energy: 0.9095532239818895
Energy: 0.929986046853912
Energy: 0.9742632479313464
Energy: 0.961043084663622
Energy: 0.9606538672127404
Energy: 0.9604070324685284
Energy: 0.9538739982206043
Energy: 0.960682010086544
Energy: 0.8733686518988967
Energy: 0.9627769775046294
Energy: 0.9625483094184961
Energy: 0.8729722618481478
Energy: 0.9640601831290911
Energy: 0.8716711358446583
Energy: 0.8721258346027211
Energy: 0.9491026912756223
Energy: 0.9510078175008875
Energy: 0.8719265276420062
Energy: 0.9482902594109283
Energy: 0.9103817749098696
Energy: 0.9497007423977323
Energy: 0.9468357777729826
Energy: 0.9512894981833407
Energy: 0.9478226379274969
Energy: 0.9507078415249072
Energy: 0.950506091587034
Energy: 0.9498403334770541
Energy: 0.8746922903394255
Energy: 0.8733590312446483
Energy: 0.9513391075452813
Energy: 0.8739559481536164
Energy: 0.8730930577350939
Energy: 0.9516293878246684
Energy: 0.9611615293406441
Energy: 0.9656543336117578
Energy: 0.9649896670291754
Energy: 0.9733908127015114
Energy: 0.9616810088248163
Energy: 0.9068958559598491
Energy: 0.9449238476768768
Energy: 0.9510057366442732
Energy: 0.9068717755693462
Energy: 0.9444275241935519
Energy: 0.9315527598654377
Energy: 0.9083239455926945
Energy: 0.9855758750431962
Energy: 0.9864188241831898
Energy: 0.9072781516134835
Energy: 0.9841412385707157
Energy: 0.967490512500593
Energy: 0.9503911700958618
Energy: 0.983496054025958
Energy: 0.9718419433870109
Energy: 0.9716669001344713
Energy: 0.9711088308415903
Energy: 0.9717569015994112
Energy: 0.9641059638368575
Energy: 0.9663178418273081
Energy: 0.9614980572876985
Energy: 0.9641511036370637
Energy: 0.9815116473223825
Energy: 0.9603917511360441
Energy: 1.02566141274138
Energy: 0.9892842027059279
Energy: 0.9876702053840101
Energy: 1.0263421688643453
Energy: 0.9965854755382717
Energy: 0.9871235524228518
Energy: 1.08498656197616
Energy: 0.9699427534020257
Energy: 0.9883002836228468
Energy: 1.0416245522035583
Energy: 0.9703578804774665
Energy: 0.9874359295204785
Energy: 1.0181414981277221
Energy: 1.0406847624656796
Energy: 1.0406909719744104
Energy: 1.0184157717955011
Energy: 1.0445920044745944
Energy: 1.0243900386119678

minimum gb energy = 0.8716711358446583 eV
minimum distance =  2.26867090104386 Angstroms
sigma value = 33


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

Energy: 1.2200072356791436
Energy: 1.2112211378221478
Energy: 1.2126621225010272
Energy: 1.0929852729766742
Energy: 1.2188019098579055
Energy: 1.0951226094324735
Energy: 1.096402355763089
Energy: 1.1232739136679049
Energy: 1.121266034170627
Energy: 1.1237080020301213
Energy: 1.1252987490305624
Energy: 1.1023950680559078
Energy: 1.1795329765831062
Energy: 1.0984112198185956
Energy: 1.0989766893197122
Energy: 1.12180434728058
Energy: 1.098328676820093
Energy: 1.0990993289534443
Energy: 1.1225229312588179
Energy: 1.098096189470002
Energy: 1.0987598492845236
Energy: 1.1233763627788236
Energy: 1.1353091483103321
Energy: 1.0988519473495544
Energy: 1.0527448607020742
Energy: 1.122237330396209
Energy: 1.1016361462374054
Energy: 1.0526998940815506
Energy: 1.125714285471855
Energy: 1.1016126715791652
Energy: 1.098119278292973
Energy: 1.1035365135830981
Energy: 1.1054183112762934
Energy: 1.0599807578448313
Energy: 1.1030918587424337
Energy: 1.0603988933012434
Energy: 1.0536465441172091
Energy: 1.1010797140401927
Energy: 1.1021799430850205
Energy: 1.0537645680257544
Energy: 1.102656797685664
Energy: 1.0348292137786814
Energy: 1.0533672443693638
Energy: 1.0630295688829279
Energy: 1.0627847281703022
Energy: 1.0543039247297126
Energy: 1.0632438897581227
Energy: 1.0340825205503552
Energy: 1.0487611677100928
Energy: 1.0618264728771891
Energy: 1.0618205846003164
Energy: 1.0634839763197437
Energy: 1.041257333539995
Energy: 1.0636788615218162
Energy: 1.0483412509765426
Energy: 0.9913180976613554
Energy: 0.9907257305713714
Energy: 1.0499577420502713
Energy: 0.9917288689151293
Energy: 0.9902194455410587
Energy: 1.047966841424331
Energy: 1.057801653958933
Energy: 1.0589540137824
Energy: 1.060972238624111
Energy: 1.0254428175667036
Energy: 1.0603257813196822
Energy: 0.9894879176834313
Energy: 1.0570566805659165
Energy: 1.0577985971153745
Energy: 0.9894924415076535
Energy: 1.0534543070225006
Energy: 0.9889659812343596
Energy: 0.9891424386955471
Energy: 1.0618573188091753
Energy: 1.0639447951628784
Energy: 0.9890267899131723
Energy: 1.064581534799028
Energy: 0.9894774271822223
Energy: 1.0578027690582696
Energy: 1.06466560212683
Energy: 1.0646540130912838
Energy: 0.972271274220074
Energy: 1.0483368164459022
Energy: 1.054279543428461
Energy: 1.0628972542050363
Energy: 1.0563014555160897
Energy: 1.0335202165761812
Energy: 1.0642706954120935
Energy: 1.0546986124309896
Energy: 1.0323597475608102
Energy: 1.1043624150543878
Energy: 1.0585419687634343
Energy: 1.0594674006424054
Energy: 1.104908774483675
Energy: 1.072977829264329
Energy: 1.102477658832713
Energy: 1.1799072414025793
Energy: 1.0615282912085355
Energy: 1.059589501301246
Energy: 1.1217257111457253
Energy: 1.0578513063868178
Energy: 1.0586598389511612
Energy: 1.1876517998365854
Energy: 1.1241965663287454
Energy: 1.1215265220065682
Energy: 1.124504520448806
Energy: 1.1235437331028884
Energy: 1.1108101163067303
Energy: 1.1340928008879114
Energy: 1.1223088489575566
Energy: 1.139214809171605
Energy: 1.059458442739206
Energy: 1.1218891598145162
Energy: 1.0565479713987787
Energy: 1.0963717193261706
Energy: 1.1223441936781267
Energy: 1.1221636576062104
Energy: 1.0966803597030967
Energy: 1.1251853454231329
Energy: 1.1038365702336117
Energy: 1.179404660433883
Energy: 1.0982390437914042
Energy: 1.0987369708613262
Energy: 1.122122660709861
Energy: 1.0974938481206438
Energy: 1.09871079051151
Energy: 1.1228343216061751
Energy: 1.0985330709443488
Energy: 1.0991891010993269
Energy: 1.1230404275025458
Energy: 1.098124603852113
Energy: 1.0992129450484749
Energy: 1.0534067886000986
Energy: 1.12223336964752
Energy: 1.1025737180522677
Energy: 1.0532456288039125
Energy: 1.1242896420867785
Energy: 1.102429150411715
Energy: 1.0978249583893982
Energy: 1.1035953373250136
Energy: 1.1045367389755911
Energy: 1.0599677663609826
Energy: 1.1034782471965063
Energy: 1.0619878416341328
Energy: 1.0536433693621052
Energy: 1.1057708138782645
Energy: 1.102251382086299
Energy: 1.0537328795071381
Energy: 1.142753203252073
Energy: 1.0877650533839927
Energy: 1.0533967522130812
Energy: 1.0630357179997756
Energy: 1.0626528589839535
Energy: 1.0535231522189208
Energy: 1.0628661551879754
Energy: 1.0340158198906269
Energy: 1.0474020073411225
Energy: 1.0619534178529613
Energy: 1.0629732513161245
Energy: 1.0506631808278408
Energy: 1.0416682201206844
Energy: 1.0639740794446042
Energy: 1.0477424178794599
Energy: 0.9909526676444657
Energy: 0.9908430375298546
Energy: 1.0495710416094308
Energy: 0.9917819653156966
Energy: 0.9903933221315687
Energy: 1.049564359593633
Energy: 1.0468741872957719
Energy: 1.0575341463600394
Energy: 0.9901455513001547
Energy: 1.0255029648903438
Energy: 1.0576789564772806
Energy: 0.9889442738930672
Energy: 1.0573569707813422
Energy: 1.057473234593668
Energy: 0.9890363185031152
Energy: 1.0552185595329433
Energy: 1.0577776705064754
Energy: 0.99211409551293
Energy: 1.065222404431171
Energy: 1.040607569394479
Energy: 0.9927370883919613
Energy: 1.0634080567915831
Energy: 0.9898809144554314
Energy: 1.0578615462849397
Energy: 1.0643222373412529
Energy: 1.0648051653605197
Energy: 1.0531994801498226
Energy: 1.0488991017009195
Energy: 1.0538346965058953
Energy: 1.0577283689110164
Energy: 1.0556539599456365
Energy: 1.0340647296414802
Energy: 1.057508241536654
Energy: 1.0553947243562551
Energy: 1.0326330109517443
Energy: 1.1031453343534472
Energy: 1.0665115941102006
Energy: 1.1033612374640083
Energy: 1.104742264100754
Energy: 1.002817261092355
Energy: 1.1030991436377706
Energy: 1.177782677695219
Energy: 1.0618515477928296
Energy: 1.058383841673208
Energy: 1.1228599117226088
Energy: 1.0508206745098903
Energy: 1.057979903869649
Energy: 1.1887821109361896
Energy: 1.1237859852743297
Energy: 1.1026946727563611
Energy: 1.123900931210937
Energy: 1.1249389423860612
Energy: 1.101825300850898
Energy: 1.134147198016853
Energy: 1.1223947086920005
Energy: 1.1377064415272886
Energy: 1.0599713490019533
Energy: 1.1225174262548319
Energy: 1.056871181423332

minimum gb energy = 0.972271274220074 eV
minimum distance =  2.27742448654805 Angstroms
sigma value = 41


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

Energy: 1.3064331428534541
Energy: 1.3118020613002963
Energy: 1.3162852478766327
Energy: 1.2425520601668147
Energy: 1.2668270321815647
Energy: 1.307290431100887
Energy: 1.2146698325566778
Energy: 1.2409028937163555
Energy: 1.2357401155348557
Energy: 1.2362535448167478
Energy: 1.236980364655634
Energy: 1.2376667934014103
Energy: 1.3232057237565684
Energy: 1.2282597531803574
Energy: 1.228252602977074
Energy: 1.2413225561452303
Energy: 1.180913450275453
Energy: 1.2290788373405415
Energy: 1.237922130930113
Energy: 1.2278008447842008
Energy: 1.228030292554035
Energy: 1.239129123314317
Energy: 1.2162842256586532
Energy: 1.239004461754835
Energy: 1.181248222127959
Energy: 1.243100139519992
Energy: 1.2360871390180672
Energy: 1.1816741877856995
Energy: 1.2399249329688449
Energy: 1.2345293141575777
Energy: 1.2112591145634586
Energy: 1.234695759283502
Energy: 1.2343194290869142
Energy: 1.1765711037593147
Energy: 1.217759354506392
Energy: 1.2346331921437474
Energy: 1.1806312110945878
Energy: 1.240208651397093
Energy: 1.2398158256340004
Energy: 1.1806228734562565
Energy: 1.2388525363309721
Energy: 1.179165448870321
Energy: 1.1814501140736127
Energy: 1.2171651768114586
Energy: 1.1791651612406964
Energy: 1.1795632097785749
Energy: 1.1815118135155311
Energy: 1.1798885322341035
Energy: 1.1763436138338692
Energy: 1.2197046064189205
Energy: 1.2161752499956076
Energy: 1.177535257229134
Energy: 1.1840542597235872
Energy: 1.2151555599091144
Energy: 1.2182304302738751
Energy: 1.1857849313975992
Energy: 1.17745422923412
Energy: 1.220406908119146
Energy: 1.1807547151822295
Energy: 1.1793989733162884
Energy: 1.2168298093601315
Energy: 1.244184218060168
Energy: 1.2376691411025864
Energy: 1.2183500384442927
Energy: 1.2007639728637869
Energy: 1.2357049129867785
Energy: 1.315892115935374
Energy: 1.2089785240286548
Energy: 1.2085138737176682
Energy: 1.2398696308679098
Energy: 1.2202841674472797
Energy: 1.208151131851105
Energy: 1.315841004868638
Energy: 1.246612047371962
Energy: 1.2288744359030832
Energy: 1.2376847669344933
Energy: 1.2431456856733585
Energy: 1.2365934376540608
Energy: 1.2413076463872736
Energy: 1.23793210559223
Energy: 1.2449355833016387
Energy: 1.138752280778983
Energy: 1.2376936311657059
Energy: 1.2444385642350728

minimum gb energy = 1.138752280778983 eV
minimum distance =  2.25857544789551 Angstroms
sigma value = 11


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

Energy: 1.8342447608176533
Energy: 1.3656784389437717
Energy: 1.3961827118737544
Energy: 1.4901166699463102
Energy: 1.3524430264949383
Energy: 1.4542406167221587
Energy: 1.4318270419191124
Energy: 1.3246670121514639
Energy: 1.3316425771047602
Energy: 1.3340036423897157
Energy: 1.334801194336285
Energy: 1.3267839863762128
Energy: 1.4809400881666432
Energy: 1.3352727489392007
Energy: 1.3371117111266617
Energy: 1.4621142928242281
Energy: 1.3363088912128063
Energy: 1.3447181169395084
Energy: 1.33665690136334
Energy: 1.3360724695013468
Energy: 1.3427577030209275
Energy: 1.3361470355051845
Energy: 1.335116625677576
Energy: 1.3443310694328856
Energy: 1.3339570264280793
Energy: 1.3241102772718274
Energy: 1.332840828054973
Energy: 1.3338838061700942
Energy: 1.3254825456586559
Energy: 1.3488147429861639
Energy: 1.3345480150043667
Energy: 1.3396020390037529
Energy: 1.3551732497252043
Energy: 1.3433216558162948
Energy: 1.3251102854785664
Energy: 1.3496953537194338
Energy: 1.3594150027730822
Energy: 1.350678774274139
Energy: 1.3501995276236374
Energy: 1.344846405647542
Energy: 1.3407920332617789
Energy: 1.3525070834175499
Energy: 1.343070605946304
Energy: 1.3424282832662515
Energy: 1.3484025767674372
Energy: 1.324469165002617
Energy: 1.3441554282757673
Energy: 1.3335627363944793
Energy: 1.3408026618193754
Energy: 1.3364953116969727
Energy: 1.3435604230465397
Energy: 1.3342883725733423
Energy: 1.3382202703429136
Energy: 1.3436914648232152
Energy: 1.3407683616050583
Energy: 1.3365427817695628
Energy: 1.3438846042170292
Energy: 1.331778778830782
Energy: 1.3380361074979692
Energy: 1.3434357731707842
Energy: 1.3602750274385664
Energy: 1.3364011511470184
Energy: 1.3553544649975868
Energy: 1.3367899305212043
Energy: 1.3273183469037988
Energy: 1.3239871552819469
Energy: 1.3353250017014755
Energy: 1.3291405620705423
Energy: 1.3286882761579184
Energy: 1.3354324988300816
Energy: 1.337661244099218
Energy: 1.328482726449101
Energy: 1.3362943080589402
Energy: 1.3332894048398716
Energy: 1.3342462959406438
Energy: 1.3361903748851327
Energy: 1.333419124500665
Energy: 1.3308187764195705
Energy: 1.331764323429773
Energy: 1.337418306430063
Energy: 1.335579991428868
Energy: 1.3403557692677484
Energy: 1.4634236832621772
Energy: 1.334294434060222
Energy: 1.326935587762407
Energy: 1.3347304221701703
Energy: 1.3345075312910093
Energy: 1.327322215737867
Energy: 1.335445643154494
Energy: 1.340984023865759
Energy: 1.321342147091356
Energy: 1.342049654444613
Energy: 1.3419164962529715
Energy: 1.322346214701196
Energy: 1.3441111207445298
Energy: 1.3376249004055663
Energy: 1.3203975047753518
Energy: 1.3472276046015939
Energy: 1.350446618598928
Energy: 1.3207176670421454
Energy: 1.3295683744352071
Energy: 1.3501500297832545
Energy: 1.3218562670237768
Energy: 1.3818479941559993
Energy: 1.3676199177371973
Energy: 1.3584080660853193
Energy: 1.3978594375112317
Energy: 1.3422496978208678
Energy: 1.3269446007055725
Energy: 1.3219359019063575
Energy: 1.3235574885721302
Energy: 1.3276387880614062
Energy: 1.3219537350006325
Energy: 1.3419450833258446
Energy: 1.3250985346329855
Energy: 1.3390595286310714
Energy: 1.3379541988958157
Energy: 1.3260443428557194
Energy: 1.3394936025892081
Energy: 1.3208332617833694
Energy: 1.3973292647705946
Energy: 1.3420885749451914
Energy: 1.3358403267174033
Energy: 1.3243438108741024
Energy: 1.342070388922814
Energy: 1.3212291155491511
Energy: 1.354798840747539
Energy: 1.3215630268661833
Energy: 1.3208899026711005
Energy: 1.3314346994606945
Energy: 1.3243418463013834
Energy: 1.3262484582250442
Energy: 1.36923451249515
Energy: 1.3263425466179486
Energy: 1.3296978680568845
Energy: 1.3354430042872028
Energy: 1.3261819645050563
Energy: 1.3296940717611627
Energy: 1.3959637669928155
Energy: 1.328244337557901
Energy: 1.339466316478852
Energy: 1.3213535561572547
Energy: 1.319574385868527
Energy: 1.3234729913596284
Energy: 1.3970848464228554
Energy: 1.3413019587519066
Energy: 1.3329020939227514
Energy: 1.3987427754046846
Energy: 1.3492252594358103
Energy: 1.3308325587495344
Energy: 1.3422855793662314
Energy: 1.3430907373482426
Energy: 1.342908980276612
Energy: 1.3297148945666586
Energy: 1.3423960598160944
Energy: 1.3502263629612434
Energy: 1.3399542416640493
Energy: 1.3210428617522287
Energy: 1.3392585702637385
Energy: 1.342306820725611
Energy: 1.3230524482204205
Energy: 1.341508496486498
Energy: 1.3396826751178235
Energy: 1.3574345157029708
Energy: 1.3420127812509688
Energy: 1.3456632554846004
Energy: 1.3443741024332994
Energy: 1.3429021438167579
Energy: 1.3527315421521404
Energy: 1.3374640993381637
Energy: 1.3209944676066792
Energy: 1.4819619228435843
Energy: 1.3440049957810374
Energy: 1.3233494188471888
Energy: 1.481033646664586
Energy: 1.349367935349457
Energy: 1.3265314330176246
Energy: 1.3340212063444024
Energy: 1.3364563108533296
Energy: 1.325782866124938
Energy: 1.3914412529923579
Energy: 1.3368836504597092
Energy: 1.3188958389589256
Energy: 1.3400692794644704
Energy: 1.3365055492664808
Energy: 1.318790685858516

minimum gb energy = 1.318790685858516 eV
minimum distance =  2.20424421644505 Angstroms
sigma value = 57


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

Energy: 1.666958175078539
Energy: 1.4286641706558725
Energy: 1.4339121071514458
Energy: 1.4683059249087598
Energy: 1.3645699591488856
Energy: 1.4340415732974954
Energy: 1.3786062105310242
Energy: 1.3649430460673788
Energy: 1.363527462593449
Energy: 1.361408776201847
Energy: 1.3641553976624936
Energy: 1.39295801915082
Energy: 1.4337143164771469
Energy: 1.3761591981417576
Energy: 1.3749763930063843
Energy: 1.4346222210310646
Energy: 1.3422009596304325
Energy: 1.3649049624430303
Energy: 1.3628233064897295
Energy: 1.3668363258933098
Energy: 1.3917469710420463
Energy: 1.3636120993241487
Energy: 1.3449700080249205
Energy: 1.4013949628359967
Energy: 1.3610954089169218
Energy: 1.3664168802643943
Energy: 1.362618101596834
Energy: 1.3617956802296722
Energy: 1.3651548058589158
Energy: 1.3933474789151166
Energy: 1.3656525806054733
Energy: 1.4246109217888732
Energy: 1.4231630694561606
Energy: 1.367171292645891
Energy: 1.4196915394497172
Energy: 1.3866388268189567
Energy: 1.4152703042720414
Energy: 1.3235508980786805
Energy: 1.3251291763491115
Energy: 1.4164880230206518
Energy: 1.3308012563352274
Energy: 1.4240506460397315
Energy: 1.415848702948904
Energy: 1.3643343809175574
Energy: 1.3854166345520638
Energy: 1.3660519925602488
Energy: 1.3627789300211064
Energy: 1.3994509846062928
Energy: 1.3791883770074094
Energy: 1.4000044768944198
Energy: 1.3300834016302883
Energy: 1.3265516983477612
Energy: 1.3951361479785553
Energy: 1.331986373434818
Energy: 1.3788651775017942
Energy: 1.3637161690527884
Energy: 1.323906724459237
Energy: 1.326859440391597
Energy: 1.364903296279
Energy: 1.3235126060738545
Energy: 1.4184080081767714
Energy: 1.3633894496815382
Energy: 1.3733958593541624
Energy: 1.3658626409188577
Energy: 1.365536261953699
Energy: 1.3996187857948694
Energy: 1.363878604978117
Energy: 1.343730021065197
Energy: 1.3739929953894288
Energy: 1.3625278530486555
Energy: 1.342511041360496
Energy: 1.3642723674293114
Energy: 1.3630504312309615
Energy: 1.3641566029943881
Energy: 1.3653962752118511
Energy: 1.3634370337675144
Energy: 1.3631876555806652
Energy: 1.3894611040901423
Energy: 1.3642105755433929
Energy: 1.3653489203213942
Energy: 1.363410713831426
Energy: 1.3754519313287865
Energy: 1.4175239981619843
Energy: 1.3649410633671657
Energy: 1.3630986616219445
Energy: 1.3238547652805803
Energy: 1.3841885440979043
Energy: 1.3630096659749649
Energy: 1.3266912706984755
Energy: 1.3879838554269723
Energy: 1.4323702889929746
Energy: 1.3231905518057494
Energy: 1.3240107124090592
Energy: 1.433606309562009
Energy: 1.3276017357653962
Energy: 1.3797182652395594
Energy: 1.378666850672503
Energy: 1.3618100058667113
Energy: 1.3637799127346482
Energy: 1.37880506130398
Energy: 1.3661373650595492
Energy: 1.395880656066855

minimum gb energy = 1.3231905518057494 eV
minimum distance =  2.23790929026167 Angstroms
sigma value = 9


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

Energy: 2.066973502148384
Energy: 1.3850040652963045
Energy: 1.4403394620393744
Energy: 1.4408859537272607
Energy: 1.435904515847025
Energy: 1.4343726302007036
Energy: 1.492506507574686
Energy: 1.4260139176588436
Energy: 1.4101747066852346
Energy: 1.4109224807659515
Energy: 1.4231124846110206
Energy: 1.4106655391314151
Energy: 1.5003942995643333
Energy: 1.4034205758141935
Energy: 1.406560487755305
Energy: 1.4701852420799149
Energy: 1.417645811920157
Energy: 1.40944290556308
Energy: 1.4280305593873055
Energy: 1.4075699775233421
Energy: 1.4043935833641794
Energy: 1.4294964584543046
Energy: 1.412627170262628
Energy: 1.404324246785217
Energy: 1.4117686435910002
Energy: 1.3955640462251524
Energy: 1.3949659165175077
Energy: 1.4151104094005247
Energy: 1.4093598885545036
Energy: 1.3947548453908591
Energy: 1.4144029406852274
Energy: 1.4006462647333167
Energy: 1.3972090935620023
Energy: 1.4174076260798056
Energy: 1.4070383418138979
Energy: 1.3993540301319922
Energy: 1.4192914440254774
Energy: 1.3964994821621803
Energy: 1.4114273439153737
Energy: 1.4201243521906886
Energy: 1.3968490304647334
Energy: 1.413831206690017
Energy: 1.479828397526877
Energy: 1.405646378852076
Energy: 1.400207539650206
Energy: 1.4195095269860285
Energy: 1.3976541605540982
Energy: 1.4006119714935927
Energy: 1.5244811631017332
Energy: 1.3979291208112317
Energy: 1.4002774163389122
Energy: 1.4241015847790306
Energy: 1.394618075011121
Energy: 1.4024862911913585
Energy: 1.5242707295033238
Energy: 1.3986800750501172
Energy: 1.3990501756846343
Energy: 1.4241905188658543
Energy: 1.3957221281664478
Energy: 1.4016511153253772
Energy: 1.497582510617272
Energy: 1.4050452856013296
Energy: 1.4009060124327855
Energy: 1.3947973110480207
Energy: 1.4147684857333485
Energy: 1.403373038478802
Energy: 1.4875460697969203
Energy: 1.4065901874491797
Energy: 1.4081535942748908
Energy: 1.405919208116261
Energy: 1.413792760517112
Energy: 1.4113978113689782
Energy: 1.5421574807365257
Energy: 1.451499199698965
Energy: 1.449790954179668
Energy: 1.401728975898964
Energy: 1.4587924831611843
Energy: 1.3986243356079797
Energy: 1.5327285035241776
Energy: 1.4106082657004133
Energy: 1.4049307825655952
Energy: 1.5384527278447917
Energy: 1.4920089236638034
Energy: 1.404025954211817
Energy: 1.4808926963947504
Energy: 1.4031149516607566
Energy: 1.3999647108727187
Energy: 1.4043975217884308
Energy: 1.3977333398537053
Energy: 1.3964070240028659
Energy: 1.4565839608634934
Energy: 1.4056932299350215
Energy: 1.4013336768133913
Energy: 1.4268824739867678
Energy: 1.41502871048173
Energy: 1.3970311232769919
Energy: 1.4824405143791928
Energy: 1.4088286052695633
Energy: 1.405906550943945
Energy: 1.4835253430224873
Energy: 1.4158879407616896
Energy: 1.404710272629095
Energy: 1.5071282779441166
Energy: 1.4716202176142563
Energy: 1.470782241958697
Energy: 1.417042770846869
Energy: 1.4714859674594243
Energy: 1.4715284468663161
Energy: 1.4977073284377105
Energy: 1.408964435748917
Energy: 1.406357929283408
Energy: 1.49460868517864
Energy: 1.4311853576923252
Energy: 1.4058803802313138
Energy: 1.4978444602416596
Energy: 1.4082517416413438
Energy: 1.4055224736158427
Energy: 1.4651242267272047
Energy: 1.4203354253492964
Energy: 1.4055377051953895
Energy: 1.4818697059567139
Energy: 1.4229158940509994
Energy: 1.4232007983754527
Energy: 1.419212811105562
Energy: 1.4048745221300805
Energy: 1.4238619275936568

minimum gb energy = 1.3850040652963045 eV
minimum distance =  2.18397743453208 Angstroms
sigma value = 27


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

Energy: 1.4330013265043247
Energy: 1.393766916744138
Energy: 1.3238685046571268
Energy: 1.3173170688045468
Energy: 1.871461212036313
Energy: 1.4194722349490034
Energy: 1.4410832730527166
Energy: 1.3833603607547253
Energy: 1.3757599998404537
Energy: 1.3853601918093588
Energy: 1.395148705092916
Energy: 1.373956096218775
Energy: 1.5311689182402397
Energy: 1.3636706962890224
Energy: 1.3650419340454096
Energy: 1.438082943389566
Energy: 1.355865256320336
Energy: 1.3642328835666029
Energy: 1.508075051738982
Energy: 1.3684955318299765
Energy: 1.4063803703114588
Energy: 1.4253666329637689
Energy: 1.3646907766636842
Energy: 1.3646782080436215
Energy: 1.3638962144099311
Energy: 1.383692700004243
Energy: 1.4082730296019252
Energy: 1.3652120301926127
Energy: 1.4016554288922607
Energy: 1.409714902728131
Energy: 1.4767313281055297
Energy: 1.3657733784462849
Energy: 1.4113685291703744
Energy: 1.4267978547090254
Energy: 1.3699586648110633
Energy: 1.4383970003800146
Energy: 1.5026716486169156
Energy: 1.32562614060048
Energy: 1.3226301996486611
Energy: 1.4125805483157725
Energy: 1.325532155270285
Energy: 1.3217546327742238
Energy: 1.5222549199461874
Energy: 1.3355447710103938
Energy: 1.407420307082681
Energy: 1.4498359243703143
Energy: 1.3366933782751045
Energy: 1.4120516500593079
Energy: 1.6590832298435187
Energy: 1.4071859157656672
Energy: 1.4088519004082174
Energy: 1.403857259777456
Energy: 1.444822702435159
Energy: 1.4043085402278814
Energy: 1.6596189557359609
Energy: 1.431854122142016
Energy: 1.408541874482101
Energy: 1.4046715863259704
Energy: 1.4672262413230497
Energy: 1.4042147377786396
Energy: 1.52311842598553
Energy: 1.421796159790119
Energy: 1.4070305919126325
Energy: 1.44114846620038
Energy: 1.3650559741305404
Energy: 1.4426405118613344
Energy: 1.5259824470286893
Energy: 1.418534080504006
Energy: 1.4175889155270542
Energy: 1.4523899386426802
Energy: 1.4162504391291286
Energy: 1.4188367542325961
Energy: 1.31610380720399
Energy: 1.4146783014412487
Energy: 1.3225234529498782
Energy: 1.3191438304294472
Energy: 1.414036090192715
Energy: 1.3211024715045487
Energy: 1.32475369032916
Energy: 1.4170993870007451
Energy: 1.4179825370049703
Energy: 1.3199053230761348
Energy: 1.4680623616433013
Energy: 1.3266964207131025
Energy: 1.5199469725122725
Energy: 1.4139880820512527
Energy: 1.4133597584153348
Energy: 1.453481813969053
Energy: 1.4110005688162668
Energy: 1.4160510457394946
Energy: 1.5133198628052873
Energy: 1.4131329321433328
Energy: 1.4125779264962302
Energy: 1.46801711985607
Energy: 1.4156903834474932
Energy: 1.4149000613357023
Energy: 1.363602134548596
Energy: 1.4357107676963825
Energy: 1.4369436616510032
Energy: 1.364667403314482
Energy: 1.4357078079766667
Energy: 1.411891838173054
Energy: 1.4725763469882889
Energy: 1.412090926750206
Energy: 1.4099533164030673
Energy: 1.3981352567731622
Energy: 1.406044173369572
Energy: 1.4033687610912353
Energy: 1.4987396663227863
Energy: 1.3263828941805662
Energy: 1.3233074828058433
Energy: 1.436539030639321
Energy: 1.3229916198614258
Energy: 1.3227345532603247
Energy: 1.5311062650235099
Energy: 1.3266920506951334
Energy: 1.3236687630743502
Energy: 1.4027393673609272
Energy: 1.3234234627487553
Energy: 1.3230628337188919
Energy: 1.6712769162722552
Energy: 1.4064593730173667
Energy: 1.4099575729583698
Energy: 1.406891868103317
Energy: 1.4440079129924266
Energy: 1.407961069347583
Energy: 1.3581913141136
Energy: 1.36684782303861
Energy: 1.3653852028063247
Energy: 1.3594976514653694
Energy: 1.4050112330151843
Energy: 1.4044942551350637
Energy: 1.5296336649438642
Energy: 1.3792034513852682
Energy: 1.3748727993315244
Energy: 1.3949262887709977
Energy: 1.3847218629098699
Energy: 1.3690044706693758
Energy: 1.5341950831224702
Energy: 1.3681960949433272
Energy: 1.3644544851766496
Energy: 1.4409574494286772
Energy: 1.3709709881857883
Energy: 1.3636318708043103
Energy: 1.4350672016419959
Energy: 1.3965041551906732
Energy: 1.3765413082871585
Energy: 1.3205284001277748
Energy: 1.398625495229832
Energy: 1.368177855315647

minimum gb energy = 1.31610380720399 eV
minimum distance =  2.20228919440476 Angstroms
sigma value = 19


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

Energy: 2.0483746574649846
Energy: 1.4200101608276703
Energy: 1.3749787355993448
Energy: 1.2828708308835997
Energy: 1.4818234627499232
Energy: 1.3750779600537204
Energy: 1.4362081434293432
Energy: 1.3349636633213218
Energy: 1.336984293058845
Energy: 1.3302426600666264
Energy: 1.3354821146593812
Energy: 1.3371374663206053
Energy: 1.420777581012682
Energy: 1.3296876679318248
Energy: 1.3335844706317272
Energy: 1.3375995367458051
Energy: 1.323398583339772
Energy: 1.3356684863371
Energy: 1.4038568857283718
Energy: 1.3352700118737861
Energy: 1.3359922554590504
Energy: 1.3337594251619913
Energy: 1.3258058291159585
Energy: 1.3357956813382832
Energy: 1.3363435001558541
Energy: 1.3350778320931191
Energy: 1.3425895670246266
Energy: 1.3435127189604381
Energy: 1.3370066692905378
Energy: 1.3394728803098659
Energy: 1.361232825491917
Energy: 1.3378808646971698
Energy: 1.3362206585384044
Energy: 1.3266722409660912
Energy: 1.3511514826566848
Energy: 1.3529654164121208
Energy: 1.4061739786978336
Energy: 1.3172685449981587
Energy: 1.3317552879796282
Energy: 1.3722341085743162
Energy: 1.3168834935866527
Energy: 1.2778391000778158
Energy: 1.3917502519104157
Energy: 1.3301447258124597
Energy: 1.335071460787107
Energy: 1.3366045302772176
Energy: 1.3315961595131958
Energy: 1.3365754752573382
Energy: 1.317158438325084
Energy: 1.3354139929475588
Energy: 1.3363971592891783
Energy: 1.3188461874516677
Energy: 1.3448975169109423
Energy: 1.3334611789271555
Energy: 1.3275478122482223
Energy: 1.33089114798301
Energy: 1.3316929437444842
Energy: 1.323508871969039
Energy: 1.3328939087827618
Energy: 1.3310578230057128
Energy: 1.3933441507980044
Energy: 1.310008648196886
Energy: 1.3169993029315186
Energy: 1.3616620986186023
Energy: 1.2999021128480157
Energy: 1.3204344586637906
Energy: 1.4386627412131743
Energy: 1.3203152571426473
Energy: 1.3244759581742493
Energy: 1.3248852025395883
Energy: 1.2874498996415966
Energy: 1.3382372997833947
Energy: 1.394522400933136
Energy: 1.3392083240272519
Energy: 1.3201462264081
Energy: 1.279873115598206
Energy: 1.3335287811255752
Energy: 1.3160771727867027
Energy: 1.4759941630249962
Energy: 1.3346853945326629
Energy: 1.3363747753685042
Energy: 1.279701841754787
Energy: 1.3322676998137855
Energy: 1.3342949828635575
Energy: 1.4378737234767407
Energy: 1.311899521560953
Energy: 1.317596195522129
Energy: 1.3474454179147841
Energy: 1.2850891635680863
Energy: 1.3232025310715756
Energy: 1.4374878782825746
Energy: 1.3208521193419485
Energy: 1.3210256704553442
Energy: 1.3171202114912588
Energy: 1.2890765988467667
Energy: 1.32290601253964
Energy: 1.3573189104390122
Energy: 1.3236282961648498
Energy: 1.3196593002448942
Energy: 1.2865388367771475
Energy: 1.3231066060382595
Energy: 1.3106504733778739
Energy: 1.432672911492811
Energy: 1.3225698255344625
Energy: 1.3237413573601147
Energy: 1.275771964063778
Energy: 1.3232160447940822
Energy: 1.3218396228504365
Energy: 1.4375728008130773
Energy: 1.280276189682903
Energy: 1.3180755085071274
Energy: 1.338884255381328
Energy: 1.2794760549811754
Energy: 1.3230367116842372
Energy: 1.3916383480463483
Energy: 1.2803736314375236
Energy: 1.3192105376790841
Energy: 1.32298215735943
Energy: 1.279375116694544
Energy: 1.3225927081433682
Energy: 1.2897477901089118
Energy: 1.3222067216433204
Energy: 1.323014756517207
Energy: 1.285420237447208
Energy: 1.3229430105266586
Energy: 1.3199549966665598
Energy: 1.3007310421730494
Energy: 1.3128783216011617
Energy: 1.3133629737533026
Energy: 1.2903050147030843
Energy: 1.3214206322550548
Energy: 1.3233661868305553
Energy: 1.389762041453605
Energy: 1.2727521280611336
Energy: 1.3059409672248612
Energy: 1.3323919470148924
Energy: 1.2707881659600646
Energy: 1.321922353723479
Energy: 1.421140926077375
Energy: 1.2734174311320754
Energy: 1.318684532543201
Energy: 1.390583327644939
Energy: 1.2711458261863773
Energy: 1.3205501455655053
Energy: 1.4035640679617867
Energy: 1.3230665809075637
Energy: 1.32286024029357
Energy: 1.2852284187068241
Energy: 1.3351514739372492
Energy: 1.3267668743821928
Energy: 1.3476501690082154
Energy: 1.322746985723565
Energy: 1.325331498556484
Energy: 1.3140511544094147
Energy: 1.3241895888091506
Energy: 1.3223944274108868
Energy: 1.4219165225500219
Energy: 1.3344638826143345
Energy: 1.3327216728046827
Energy: 1.3316681176703395
Energy: 1.33100914469588
Energy: 1.3338637519632655
Energy: 1.422446217537518
Energy: 1.3309791655127663
Energy: 1.3361088934290377
Energy: 1.3443957116526442
Energy: 1.3228730145042393
Energy: 1.3375199385209782
Energy: 1.4270919620968538
Energy: 1.336295397650244
Energy: 1.3358599990507243
Energy: 1.270020156692279
Energy: 1.3806958829790623
Energy: 1.3163970548127615

minimum gb energy = 1.270020156692279 eV
minimum distance =  2.20739385030566 Angstroms
sigma value = 101


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

Energy: 1.8901952466794754
Energy: 1.281111254650627
Energy: 1.2804319233337829
Energy: 1.2069247213263417
Energy: 1.253246976014262
Energy: 1.2071946117755734
Energy: 1.4262291914309144
Energy: 1.2538073167601822
Energy: 1.2864374946191484
Energy: 1.2541929193488137
Energy: 1.2857458191524607
Energy: 1.283871786534975
Energy: 1.3980578207995322
Energy: 1.2530466594594267
Energy: 1.2677872283141611
Energy: 1.317622727323695
Energy: 1.249739284393063
Energy: 1.272806193549846
Energy: 1.3574394868773907
Energy: 1.2705876941822014
Energy: 1.285961200390014
Energy: 1.288346622327046
Energy: 1.253983381429194
Energy: 1.2856122588337757
Energy: 1.264605561438999
Energy: 1.3182679064665932
Energy: 1.3095813591141088
Energy: 1.2684964692126277
Energy: 1.275306057935544
Energy: 1.2852404772369568
Energy: 1.3134057698129302
Energy: 1.286734885647485
Energy: 1.2864176719948361
Energy: 1.2579713704296036
Energy: 1.2865772480178164
Energy: 1.2863059147321294
Energy: 1.300637207439564
Energy: 1.248581192749005
Energy: 1.2335778091114156
Energy: 1.3263444865368188
Energy: 1.2485996755581854
Energy: 1.2340116920899522
Energy: 1.255923344629017
Energy: 1.2542517786227834
Energy: 1.2671454980534067
Energy: 1.2767180913327045
Energy: 1.2628690606450375
Energy: 1.2719014292599877
Energy: 1.2399968048198253
Energy: 1.2707100793212445
Energy: 1.2696600345320825
Energy: 1.24199820819975
Energy: 1.3117389943743327
Energy: 1.2693324642171844
Energy: 1.2459718971478075
Energy: 1.285151797199682
Energy: 1.2850279139856098
Energy: 1.2400537002846912
Energy: 1.28519454448766
Energy: 1.284434855230142
Energy: 1.3429485721523011
Energy: 1.2042542626342285
Energy: 1.2042033700738408
Energy: 1.2669966387250804
Energy: 1.2092723454272367
Energy: 1.2053785562626718
Energy: 1.4026149049895935
Energy: 1.288913149315029
Energy: 1.2847427317386269
Energy: 1.286779445057189
Energy: 1.261438372529088
Energy: 1.284425152203836
Energy: 1.2980218409217863
Energy: 1.3141431134916122
Energy: 1.285050859443399
Energy: 1.2366285741591645
Energy: 1.316568324679543
Energy: 1.2800994066892981
Energy: 1.3006043199655821
Energy: 1.2866107817184913
Energy: 1.2886081363333226
Energy: 1.234133776958254
Energy: 1.2865066113557682
Energy: 1.2866956665699336
Energy: 1.4002644236738029
Energy: 1.252795556820507
Energy: 1.249348690723969
Energy: 1.3201651631199647
Energy: 1.2489313623329765
Energy: 1.2794488841394371
Energy: 1.3981816670002976
Energy: 1.2525381135829698
Energy: 1.286930701462712
Energy: 1.2860117569147123
Energy: 1.2524028763690234
Energy: 1.2860893642687077
Energy: 1.3280324970813702
Energy: 1.2816732357286076
Energy: 1.2792773361164733
Energy: 1.2057475280743315
Energy: 1.347931447213399
Energy: 1.2029064148671076
Energy: 1.466507883565438
Energy: 1.2685745507232886
Energy: 1.2681110959163937
Energy: 1.2887811362426629
Energy: 1.2677706469334546
Energy: 1.2823029716838008
Energy: 1.3977439671640337
Energy: 1.2518210281401645
Energy: 1.2672363452013211
Energy: 1.3114578170599172
Energy: 1.251654358307774
Energy: 1.270082555057208
Energy: 1.3636673684008713
Energy: 1.2525157657924921
Energy: 1.270673813714336
Energy: 1.269384645203471
Energy: 1.2526248697527744
Energy: 1.2682738092490462
Energy: 1.2665033547485323
Energy: 1.2688340875354336
Energy: 1.2707136599473605
Energy: 1.268998500648504
Energy: 1.2710553780003124
Energy: 1.2911795051778583
Energy: 1.3127219053642754
Energy: 1.2526223998691428
Energy: 1.2872283608528938
Energy: 1.25348570401193
Energy: 1.252823615099979
Energy: 1.2859514888961325
Energy: 1.366514080468419
Energy: 1.2335896212176964
Energy: 1.233404839528402
Energy: 1.2519135167478892
Energy: 1.238612852449162
Energy: 1.2565009234559958
Energy: 1.3449724610448093
Energy: 1.2342167633038104
Energy: 1.2576747066761744
Energy: 1.252510411037584
Energy: 1.2335295329877045
Energy: 1.2694726651416197
Energy: 1.246184625015869
Energy: 1.252751292236262
Energy: 1.2667213038063556
Energy: 1.2427942506137952
Energy: 1.2712983373627105
Energy: 1.2705171890072289
Energy: 1.2405602086408893
Energy: 1.2907977219628848
Energy: 1.286733688868475
Energy: 1.2425734285442809
Energy: 1.2868313470574912
Energy: 1.2855324718630623
Energy: 1.351584696626442
Energy: 1.2051371691624384
Energy: 1.204881989867281
Energy: 1.260371775482378
Energy: 1.209362751834839
Energy: 1.2064646502179057
Energy: 1.4012759624439424
Energy: 1.2062924140233495
Energy: 1.208545015878629
Energy: 1.3154510579646288
Energy: 1.2057378400990337
Energy: 1.2876452744230134
Energy: 1.299760563035584
Energy: 1.2767042311293677
Energy: 1.282076548237571
Energy: 1.2341585911801511
Energy: 1.331187414954057
Energy: 1.281783007883876
Energy: 1.2990650995594473
Energy: 1.2761564214723888
Energy: 1.2842321496183977
Energy: 1.2375388449386509
Energy: 1.2788607557676646
Energy: 1.2804617848516786
Energy: 1.3995244474833877
Energy: 1.2618298935771055
Energy: 1.2787565740620164
Energy: 1.2813197613848115
Energy: 1.257912544526951
Energy: 1.2850064787552988
Energy: 1.3974987160948185
Energy: 1.2518802944361092
Energy: 1.254121208150932
Energy: 1.2520825440009693
Energy: 1.2406858751915828
Energy: 1.2723396486183138
Energy: 1.3259142310943473
Energy: 1.2714412470996934
Energy: 1.2796992061699233
Energy: 1.2032799490943598
Energy: 1.2519498727183853
Energy: 1.288814374628936

minimum gb energy = 1.2029064148671076 eV
minimum distance =  2.19487912457277 Angstroms
sigma value = 33


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

Energy: 0.02020483032281611
Energy: 0.02096988325393468
Energy: 0.020814383977504854
Energy: 0.022612181595789593
Energy: 1.3115144430087478
Energy: 0.020761687005913486
Energy: 0.022161861647278572
Energy: 0.16534559352002878
Energy: 0.16289499096566432
Energy: 0.16325470974715162
Energy: 0.1629543981353739
Energy: 0.16238910684836122
Energy: 1.7388552357194944
Energy: 1.314265842384371
Energy: 1.312511399457622
Energy: 1.3095031775660428
Energy: 1.3115970351754114
Energy: 1.3120011108748209
Energy: 0.5829537609857347
Energy: 0.16534559352002878
Energy: 0.16289499096566432
Energy: 0.16325470974803613
Energy: 0.16295439813719495
Energy: 0.16238910684747673

minimum gb energy = 0.02020483032281611 eV
minimum distance =  2.45527295785774 Angstroms
sigma value = 1