Model name: model_name=EAM_Dynamo_FischerSchmitzEich_2019_CuNi__MO_266134052596_000
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=3.519999980926514
cohesive_energy=4.450349999665976
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=[2.1312153585467998e-19, 2.97921540739032e-19, 3.61765075250664e-19, 4.1338400204487597e-19, 4.5656426450781e-19, 4.93417531443078e-19, 5.25268802926998e-19, 5.53024910934414e-19, 5.773315326488279e-19, 5.98678934120244e-19, 6.174436268576519e-19, 6.33922013538342e-19, 6.483592271873159e-19, 6.609555398838239e-19, 6.718775779978019e-19, 6.812647308964079e-19, 6.892435705337279e-19, 6.95915034037704e-19, 7.01372047653108e-19, 7.0569472021164e-19, 7.089567518384639e-19, 7.112190252456719e-19, 7.1253921879208805e-19, 7.1296860213e-19, 7.125071752594079e-19, 7.11017150989788e-19, 7.08319085538132e-19, 7.04195082882216e-19, 6.983903969372339e-19, 6.905974097894579e-19, 6.804492229897019e-19, 6.67494022727178e-19, 6.5118867112296e-19, 6.308666626973039e-19, 6.057028764837e-19, 5.746719194363879e-19, 5.364888458949e-19, 4.895290487523599e-19, 4.3171290273783596e-19, 3.60351955459476e-19, 2.71927827029016e-19, 1.61770172558346e-19, 2.35773109106172e-20, -1.5130571609103838e-19, -3.7501347383721e-19, -6.649577771155559e-19, -1.0468477930658939e-18, -1.559843922976452e-18, -2.2657341087374398e-18, -3.2666619172962597e-18, -4.743356077321379e-18, -6.99108172069266e-18, -8.1207924870924e-18, -9.06833577020634e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.018103894237322636
Energy: 2.575708526281543
Energy: 0.01853410110082924
Energy: 0.018402184688291887
Energy: 2.1114956969065326
Energy: 0.018534850023045703
Energy: 2.575708526294773
Energy: 0.1571784372354045
Energy: 0.15694806070023878
Energy: 2.4086901627931914
Energy: 0.15507414869905775
Energy: 0.15672178124709443
Energy: 0.01853410110049848
Energy: 0.15694806069990802
Energy: 0.1561513359037799
Energy: 0.018532767960685724
Energy: 0.15514030127520842
Energy: 0.15577538012171152
Energy: 0.018402184687961124
Energy: 2.4086171040846023
Energy: 0.018532767960685724
Energy: 0.018400904875482904
Energy: 0.15538959624589557
Energy: 0.018589444863163624
Energy: 2.098425539258766
Energy: 0.15507414869905775
Energy: 0.15514030127520842
Energy: 0.15538959624560156
Energy: 0.15490788019936955
Energy: 0.15509384094831943
Energy: 0.018534850023045703
Energy: 0.15672178124742517
Energy: 0.15577538012138076
Energy: 0.018589444862538846
Energy: 0.15509384094831943
Energy: 0.018330676551831654

minimum gb energy = 0.018103894237322636 eV
minimum distance =  2.4866666396885 Angstroms
sigma value = 1


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

Energy: 1.7768022143355156
Energy: 2.5212542280317107
Energy: 1.186454124464296
Energy: 1.1954007218330869
Energy: 2.6598370520102437
Energy: 1.1862681087256228
Energy: 1.6674527843683074
Energy: 1.2167917036346003
Energy: 1.152544486013601
Energy: 1.1445895992321693
Energy: 1.2145938778632244
Energy: 1.1600171136551523
Energy: 1.8517580307972799
Energy: 1.1507627105730784
Energy: 1.103331579218131
Energy: 1.1206869466277898
Energy: 1.2143311555197156
Energy: 1.1217181843160908
Energy: 1.8753464892890757
Energy: 1.1352315984989865
Energy: 1.1207144755245457
Energy: 1.1215504861475867
Energy: 1.1523748577683577
Energy: 1.1209343761122776
Energy: 1.7064432999813341
Energy: 1.181439835692615
Energy: 1.1817428795575013
Energy: 1.1882949561890777
Energy: 1.181096454395212
Energy: 1.1625856612453929
Energy: 1.6591931729488614
Energy: 1.1655302511466306
Energy: 1.160970722781381
Energy: 1.1631567508124947
Energy: 1.1814502517281493
Energy: 1.163139586385719
Energy: 1.6556687893760098
Energy: 1.1609491488822992
Energy: 1.162326375002965
Energy: 1.1626375586333344
Energy: 1.160915871419094
Energy: 1.1640990119035317
Energy: 1.6273456633107948
Energy: 1.182805253426145
Energy: 1.18194053207354
Energy: 1.147858422253501
Energy: 1.1800670515493754
Energy: 1.16390634200462
Energy: 1.3064429670029478
Energy: 1.164307420657084
Energy: 1.1631767542963585
Energy: 1.1807374697454918
Energy: 1.1611885946895615
Energy: 1.1611365744992557
Energy: 1.3057763612090871
Energy: 1.1870609527580211
Energy: 1.1862071506827971
Energy: 1.1806514199974554
Energy: 1.1882318075850729
Energy: 1.1851053764458608
Energy: 1.4686303361444437
Energy: 1.1335181442605886
Energy: 1.1339678520292995
Energy: 1.2438327308280095
Energy: 1.1338588786374728
Energy: 1.1032001317091662
Energy: 1.2156121534460747
Energy: 1.12100823225431
Energy: 1.1218636273116078
Energy: 1.215751720828505
Energy: 1.109315736328883
Energy: 1.1215931447363954
Energy: 1.2139669404570235
Energy: 1.1494604168154332
Energy: 1.1598302728780392
Energy: 1.2141441970025608
Energy: 1.1239388715738388
Energy: 1.1426865521370633
Energy: 1.2327013057645921
Energy: 1.121289854671592
Energy: 1.1207717678994402
Energy: 1.1867878552094984
Energy: 1.1213824467671725
Energy: 1.1208736079039459
Energy: 1.23036737461628
Energy: 1.1856270933066606
Energy: 1.1839120503445044
Energy: 1.1923442011578385
Energy: 1.1675316060738004
Energy: 1.1736240361399102
Energy: 1.23157650768158
Energy: 1.1219358708261498
Energy: 1.1211899519059922
Energy: 1.193077352642447
Energy: 1.121180430820848
Energy: 1.1213889782975304
Energy: 1.4507330349639305
Energy: 1.161156270535106
Energy: 1.160784832050881
Energy: 1.1214684417852328
Energy: 1.1613659830572132
Energy: 1.1216271534199707
Energy: 1.4522083521649267
Energy: 1.1634811867030033
Energy: 1.183623159054877
Energy: 1.1831028388343212
Energy: 1.160433136805806
Energy: 1.1827962783448527
Energy: 1.451720296620951
Energy: 1.1834508838222348
Energy: 1.182402746615158
Energy: 1.182732582958828
Energy: 1.1857628097374726
Energy: 1.1835752735263683
Energy: 1.6984137149656857
Energy: 1.1840678711816557
Energy: 1.183508408163118
Energy: 1.1860437459426603
Energy: 1.1858941704260841
Energy: 1.183134090876131
Energy: 1.7667124401551266
Energy: 1.1216659635271604
Energy: 1.133645992564476
Energy: 1.1339993486225501
Energy: 1.160328965486851
Energy: 1.1341207513578504
Energy: 1.7638558271453555
Energy: 1.1433393867143857
Energy: 1.121913216666138
Energy: 1.1340128692118467
Energy: 1.1949715479980805
Energy: 1.1215507468281785
Energy: 1.8277034287297929
Energy: 1.191976440628643
Energy: 1.1630003445148334
Energy: 1.1340471347088452
Energy: 1.19169383574938
Energy: 1.1837526529029325

minimum gb energy = 1.1032001317091662 eV
minimum distance =  2.28137153282899 Angstroms
sigma value = 33


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

Energy: 2.2091771286389204
Energy: 2.2688421522110938
Energy: 1.2537875954166517
Energy: 1.2536224285582753
Energy: 2.2972767389637774
Energy: 1.2534306344810568
Energy: 1.5805735222535082
Energy: 1.2465855431506212
Energy: 1.1979937364482791
Energy: 1.1856886982418202
Energy: 1.2467116890250138
Energy: 1.1766785654992558
Energy: 1.791077096328919
Energy: 1.2115388798258275
Energy: 1.2115190753261251
Energy: 1.1425741214441134
Energy: 1.2467814173467713
Energy: 1.201206460217879
Energy: 1.7929594884928222
Energy: 1.2069497904738613
Energy: 1.2022068887178954
Energy: 1.142361250820246
Energy: 1.2734633664115194
Energy: 1.1418470872200375
Energy: 1.5816390772356945
Energy: 1.2446884777535456
Energy: 1.245265776693688
Energy: 1.2332990568790876
Energy: 1.244260265969775
Energy: 1.2038657611653079
Energy: 1.7149946995292669
Energy: 1.1918643496963917
Energy: 1.1918026333665426
Energy: 1.2042857437828034
Energy: 1.2459885879603951
Energy: 1.192709445101061
Energy: 1.7141147090479358
Energy: 1.1915939050751472
Energy: 1.1926283242495754
Energy: 1.204430189313951
Energy: 1.1904577674477956
Energy: 1.2045095638158576
Energy: 1.5903770121743244
Energy: 1.2083523233033098
Energy: 1.2080826367476611
Energy: 1.1954130631203792
Energy: 1.2090829247726462
Energy: 1.2104469003624863
Energy: 1.356222173893043
Energy: 1.206297182142872
Energy: 1.2138235284677883
Energy: 1.2571869669467037
Energy: 1.2078175334255503
Energy: 1.2385938110930952
Energy: 1.3559372761861683
Energy: 1.2223435566254361
Energy: 1.2226839524962738
Energy: 1.2468149984366281
Energy: 1.2296115998840305
Energy: 1.2311211415327459
Energy: 1.4018653477406275
Energy: 1.113049487741252
Energy: 1.118650934134844
Energy: 1.2514262500373332
Energy: 1.1140090273795709
Energy: 1.1182950384230834
Energy: 1.2611310081334814
Energy: 1.1235214126238957
Energy: 1.1842567282278058
Energy: 1.241883885311463
Energy: 1.1165507476180379
Energy: 1.1685315411577293
Energy: 1.2607525662936698
Energy: 1.215671936020306
Energy: 1.2153428520484535
Energy: 1.249561332287591
Energy: 1.1907402893966728
Energy: 1.2116526781494559
Energy: 1.4457919567957949
Energy: 1.142516923169362
Energy: 1.1418931670548396
Energy: 1.2602757915842224
Energy: 1.142257020056232
Energy: 1.1300868996738032
Energy: 1.364842692007509
Energy: 1.2224828177032452
Energy: 1.2216832806019395
Energy: 1.2328193046173566
Energy: 1.2312209632009607
Energy: 1.2316793709612557
Energy: 1.36644903852037
Energy: 1.1695981413538439
Energy: 1.1699058173383197
Energy: 1.233456692861744
Energy: 1.1965096510439002
Energy: 1.17195171685646
Energy: 1.2462372438347733
Energy: 1.1965765822672938
Energy: 1.1965771192850003
Energy: 1.1559072317009849
Energy: 1.1965861383100898
Energy: 1.1557423783907226
Energy: 1.5358191282772113
Energy: 1.2601091848857486
Energy: 1.248167722637161
Energy: 1.2086231277757251
Energy: 1.2650207835418157
Energy: 1.210116015330956
Energy: 1.5356455355256953
Energy: 1.2519927396349964
Energy: 1.2257997039942572
Energy: 1.2085265876632973
Energy: 1.2514730306356916
Energy: 1.2443782388744757
Energy: 1.3915011571790068
Energy: 1.2206546300445276
Energy: 1.2209414892714383
Energy: 1.2096741775380264
Energy: 1.2206642276554986
Energy: 1.1928653887325307
Energy: 1.901772450962299
Energy: 1.084042181317167
Energy: 1.084059682931784
Energy: 1.0845439813077513
Energy: 1.0932176294641924
Energy: 1.084102288096233
Energy: 1.9043378694351443
Energy: 1.157796816996873
Energy: 1.088032633025364
Energy: 1.0850637322454735
Energy: 1.1599700418478596
Energy: 1.0856949366588657
Energy: 1.3916175327798936
Energy: 1.2258715038405328
Energy: 1.2381215739569165
Energy: 1.1478129700744049
Energy: 1.2093018746605984
Energy: 1.1828557838486409
Energy: 1.8082174700974138
Energy: 1.2367908473702063
Energy: 1.236542628090304
Energy: 1.1422203805506972
Energy: 1.237354000164262
Energy: 1.1725995663075792
Energy: 1.3914318545739885
Energy: 1.243680894306449
Energy: 1.2405649779237296
Energy: 1.211736665929011
Energy: 1.2435517438912191
Energy: 1.1815007777981026
Energy: 1.727536468630977
Energy: 1.229839002534077
Energy: 1.1694746336850868
Energy: 1.177523351675699
Energy: 1.2436117326286735
Energy: 1.166867254133982
Energy: 1.7267413428716243
Energy: 1.1669077159235821
Energy: 1.1666476938869796
Energy: 1.1774464630304688
Energy: 1.174091524603749
Energy: 1.1770207145807798
Energy: 1.5907644479826575
Energy: 1.2079704486116751
Energy: 1.2084546799898574
Energy: 1.2381645136814636
Energy: 1.2084016971496008
Energy: 1.2216730631379475
Energy: 1.3572159478635792
Energy: 1.208298940975281
Energy: 1.2091598453410277
Energy: 1.2627789861022307
Energy: 1.2086621445226957
Energy: 1.2193438585777496
Energy: 1.3568239162696278
Energy: 1.237162315143174
Energy: 1.216597046120158
Energy: 1.2535374508629633
Energy: 1.215424448134249
Energy: 1.2275133538594254
Energy: 1.573322154284165
Energy: 1.113025009728127
Energy: 1.1183114775511782
Energy: 1.1684812358590861
Energy: 1.1136075643477181
Energy: 1.1182462830428375
Energy: 1.2600576122773874
Energy: 1.1137439788648846
Energy: 1.118213248047606
Energy: 1.2160577540610198
Energy: 1.1132976709796836
Energy: 1.1567451023452127
Energy: 1.2602887895517256
Energy: 1.2401053754206115
Energy: 1.2456736763668073
Energy: 1.2351417800458981
Energy: 1.2178382442753266
Energy: 1.2172417565651605
Energy: 1.2602434603075665
Energy: 1.1420997956983112
Energy: 1.1167821097384785
Energy: 1.2438954753660934
Energy: 1.1424021602684358
Energy: 1.1181129422850458
Energy: 1.35009084165783
Energy: 1.2405741830288695
Energy: 1.198853983782871
Energy: 1.250336323074791
Energy: 1.242598916530291
Energy: 1.2451406455274328
Energy: 1.3521701885572532
Energy: 1.1803385154191985
Energy: 1.1803863030697586
Energy: 1.246312062630776
Energy: 1.1803622508512253
Energy: 1.1809109239625828
Energy: 1.35038148422699
Energy: 1.1823839791427555
Energy: 1.1828675406317264
Energy: 1.1716517677162994
Energy: 1.181593035935073
Energy: 1.205218652286229
Energy: 1.5360355438097917
Energy: 1.224637066835645
Energy: 1.215538690217172
Energy: 1.2081147532572436
Energy: 1.249511659026978
Energy: 1.2150829167894839
Energy: 1.535220753660466
Energy: 1.2231193032800407
Energy: 1.2207789212622995
Energy: 1.2090433236850486
Energy: 1.22450140560477
Energy: 1.2102687101672291
Energy: 1.702290057924126
Energy: 1.261522921648234
Energy: 1.2608856618509743
Energy: 1.2172261139206306
Energy: 1.261408636484796
Energy: 1.2125726383952544
Energy: 1.802179289467487
Energy: 1.1980641237264664
Energy: 1.1408028454978287
Energy: 1.136328813599097
Energy: 1.198430598514726
Energy: 1.1400474374961465

minimum gb energy = 1.084042181317167 eV
minimum distance =  2.30456301751642 Angstroms
sigma value = 51


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

Energy: 1.8356304324564403
Energy: 2.8758500559319295
Energy: 1.335032882678959
Energy: 1.2228924056663901
Energy: 2.6345933484015207
Energy: 1.2040407761050258
Energy: 1.4161848029648099
Energy: 1.2385873528733253
Energy: 1.2384280320048098
Energy: 1.1182473986747863
Energy: 1.2386891027196443
Energy: 1.1949828988165114
Energy: 1.6740747728940606
Energy: 1.2388613397829416
Energy: 1.2384209256730887
Energy: 1.1735775970351403
Energy: 1.23893089777517
Energy: 1.152560890772829
Energy: 1.670326385286667
Energy: 1.1511738601857475
Energy: 1.1612510539513228
Energy: 1.171006230143752
Energy: 1.2005486503093075
Energy: 1.1576463658113576
Energy: 1.2693870117381265
Energy: 1.232057913240157
Energy: 1.231011815846786
Energy: 1.2350268899234798
Energy: 1.2339916234370354
Energy: 1.2302854216712698
Energy: 1.418039050387957
Energy: 1.236407259136681
Energy: 1.2075724766175973
Energy: 1.2349226953780394
Energy: 1.2352149305079934
Energy: 1.2028612644494345
Energy: 1.4177587368997742
Energy: 1.238951895175563
Energy: 1.230546171461594
Energy: 1.2351050417536884
Energy: 1.2087608458605257
Energy: 1.2339368877100432
Energy: 1.4371772400168241
Energy: 1.15024644103591
Energy: 1.1279181617627583
Energy: 1.1982111121494163
Energy: 1.1507517200740864
Energy: 1.1278131319098823
Energy: 1.23880879013924
Energy: 1.1286169621693178
Energy: 1.1290327761510812
Energy: 1.2389544304471851
Energy: 1.1509379988890611
Energy: 1.151670310160013
Energy: 1.2388485247622945
Energy: 1.1831363800735548
Energy: 1.2686874138249356
Energy: 1.2388962496585987
Energy: 1.1832320132149203
Energy: 1.2384135981111066
Energy: 1.2393596918095815
Energy: 1.170539476214077
Energy: 1.1601539963610097
Energy: 1.2393592090907617
Energy: 1.1985112151582382
Energy: 1.1490051316076169
Energy: 1.2678970837885002
Energy: 1.2334650202225699
Energy: 1.2683825107105193
Energy: 1.2015349813884946
Energy: 1.1584660231203683
Energy: 1.2327059337520505
Energy: 1.2676415360497768
Energy: 1.1623450559167499
Energy: 1.163289603754216
Energy: 1.2325814549892256
Energy: 1.1618853617288698
Energy: 1.193318373496341
Energy: 1.2683056204880014
Energy: 1.1732801347897281
Energy: 1.1732447949565508
Energy: 1.1895193031356461
Energy: 1.1735241019224774
Energy: 1.1863431763501302
Energy: 1.5103407946648024
Energy: 1.1664419319227126
Energy: 1.1666269533011773
Energy: 1.1864470719552886
Energy: 1.1664095297062291
Energy: 1.171992574553929
Energy: 1.5107313375036238
Energy: 1.2330754738519591
Energy: 1.1670054993854466
Energy: 1.185710569972442
Energy: 1.2332897359936017
Energy: 1.186318830691588
Energy: 1.7043029978028044
Energy: 1.233433951561268
Energy: 1.2328421217889587
Energy: 1.1726294161871722
Energy: 1.2334202218715287
Energy: 1.2326542548085069
Energy: 1.826358646912732
Energy: 1.1928394936154
Energy: 1.1588245336697074
Energy: 1.1495497464402453
Energy: 1.2390606785848968
Energy: 1.1578786767199742

minimum gb energy = 1.1182473986747863 eV
minimum distance =  2.29862682134005 Angstroms
sigma value = 19


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

Energy: 1.554337923037084
Energy: 2.0053340241976207
Energy: 1.139605203179597
Energy: 1.3363231500715327
Energy: 2.036921838185102
Energy: 1.1388484070263913
Energy: 1.338704326864936
Energy: 1.1431283858107255
Energy: 1.1427621220197115
Energy: 1.116976690373805
Energy: 1.142952221748503
Energy: 1.1428141629828972
Energy: 1.6845234814960575
Energy: 1.1429910345604486
Energy: 1.1430412593551258
Energy: 1.11702594472924
Energy: 1.1430881311865015
Energy: 1.1431343541312202
Energy: 1.3360136229576325
Energy: 1.1432742270172926
Energy: 1.1426532329758392
Energy: 1.1641758664114013
Energy: 1.1430736408536477
Energy: 1.1426561170408935
Energy: 1.6843587786777618
Energy: 1.1865117451578824
Energy: 1.186387235807416
Energy: 1.1741881193642347
Energy: 1.201074100340544
Energy: 1.1867086917067768
Energy: 1.3429773749413765
Energy: 1.1102234317832844
Energy: 1.185715748674017
Energy: 1.173636589702471
Energy: 1.1100623670331624
Energy: 1.169487659533371
Energy: 1.3386345387757257
Energy: 1.1866397847071097
Energy: 1.170723084739544
Energy: 1.1730538489241507
Energy: 1.1203819577985907
Energy: 1.1706651936147134
Energy: 1.3064937121705704
Energy: 1.0754801688049893
Energy: 1.075282081274316
Energy: 1.1350164963495257
Energy: 1.074820844681725
Energy: 1.0752914971436702
Energy: 1.1432721846021976
Energy: 1.0737609240617911
Energy: 1.073534818663544
Energy: 1.143323152024224
Energy: 1.0740620698497956
Energy: 1.0984487294402199
Energy: 1.1426828714894166
Energy: 1.1359768092167306
Energy: 1.1429854007907918
Energy: 1.1426386043257284
Energy: 1.1729876661732288
Energy: 1.1430744927003897
Energy: 1.1429978858232048
Energy: 1.1654657513839728
Energy: 1.1653539522834915
Energy: 1.142954654589564
Energy: 1.1646954722713672
Energy: 1.1425735216748758
Energy: 1.3388337927060963
Energy: 1.1866385498571008
Energy: 1.1858076020322563
Energy: 1.1426278285418423
Energy: 1.1728405610443071
Energy: 1.1423823973083753
Energy: 1.1107758744407725
Energy: 1.1719734539469402
Energy: 1.1724419338321206
Energy: 1.1105429806937386
Energy: 1.1732146101542804
Energy: 1.1744046116989695
Energy: 1.3387158257990204
Energy: 1.1737143456024988
Energy: 1.1729784493967812
Energy: 1.1362444499156044
Energy: 1.1752170985615973
Energy: 1.1720915122853672
Energy: 1.5585648272109327
Energy: 1.1426592314219397
Energy: 1.1367328279553521
Energy: 1.0737870133144065
Energy: 1.1427319460710887
Energy: 1.0739094371638576
Energy: 1.5592337069261835
Energy: 1.9015839034733168
Energy: 1.0756277788891673
Energy: 1.0740366269262391
Energy: 1.1426043010109517
Energy: 1.0757731296411737
Energy: 1.683069994345286
Energy: 1.1430272990912296
Energy: 1.143257338247406
Energy: 1.1729769700598212
Energy: 1.1426946753825067
Energy: 1.1428048530107344
Energy: 1.3331901180454795
Energy: 1.1429811419944105
Energy: 1.1430825614251248
Energy: 1.1642065387926688
Energy: 1.1430723538843346
Energy: 1.143266788386404
Energy: 1.333127402298784
Energy: 1.1428539552886023
Energy: 1.1430536848393398
Energy: 1.164316097979651
Energy: 1.1427646148388588
Energy: 1.1432123579610918
Energy: 1.339791481707784
Energy: 1.1101313278387248
Energy: 1.1866837172104723
Energy: 1.1737734208416806
Energy: 1.1100669854237222
Energy: 1.186004133938632
Energy: 1.336197636888676
Energy: 1.1721813053408838
Energy: 1.1716564873260236
Energy: 1.1736297918076315
Energy: 1.2085909973448472
Energy: 1.1726515534516435
Energy: 1.3389870246217848
Energy: 1.1867914801341177
Energy: 1.1861423445858874
Energy: 1.1731421279270213
Energy: 1.1363498388290882
Energy: 1.171676181551215
Energy: 1.120455949378928
Energy: 1.075743682106617
Energy: 1.0766743677301764
Energy: 1.1206061936715879
Energy: 1.074749751950843
Energy: 1.0719993745834213
Energy: 1.142983837664806
Energy: 1.136384128969526
Energy: 1.1434188403212262
Energy: 1.1429602393953966
Energy: 1.073817932045896
Energy: 1.1425479278196669
Energy: 1.1429537411334822
Energy: 1.1439136578479783
Energy: 1.1429995232114873
Energy: 1.1429911399493569
Energy: 1.136524945659402
Energy: 1.1430573071195878
Energy: 1.3075294835596531
Energy: 1.1641552734193574
Energy: 1.1643824157816176
Energy: 1.142863022020559
Energy: 1.1643238807191993
Energy: 1.1426110881994807
Energy: 1.3381572051027053
Energy: 1.1728029678127152
Energy: 1.186199234887089
Energy: 1.174521102185645
Energy: 1.1741581053310575
Energy: 1.1861319189596713
Energy: 1.1101983944352523
Energy: 1.1744710866327597
Energy: 1.1703618733486492
Energy: 1.1100781301767895
Energy: 1.1729724536115425
Energy: 1.169899760848875
Energy: 1.340063278819016
Energy: 1.1723419724912494
Energy: 1.171137001299701
Energy: 1.1199231893121084
Energy: 1.1726838025320023
Energy: 1.1697917216192346
Energy: 1.5588947738174939
Energy: 1.1354159847056557
Energy: 1.074568494240984
Energy: 1.0742109849968189
Energy: 1.142264045076243
Energy: 1.0748911968164943

minimum gb energy = 1.0719993745834213 eV
minimum distance =  2.35445968064686 Angstroms
sigma value = 27


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

Energy: 1.3346500365602887
Energy: 2.7986419727915477
Energy: 1.342441358406025
Energy: 1.185979646120016
Energy: 2.50214275833439
Energy: 1.3424836984009174
Energy: 1.3355007648758985
Energy: 1.1424218302341655
Energy: 1.1427213011496467
Energy: 1.0619189895988164
Energy: 1.142454684750375
Energy: 1.0944954825407127
Energy: 1.2035649196094436
Energy: 1.1430056201624013
Energy: 1.1433369364354928
Energy: 1.0586986139339771
Energy: 1.1439675787138146
Energy: 1.0938465004786728
Energy: 1.2035946233091706
Energy: 1.1437170161747157
Energy: 1.0870362400901592
Energy: 1.059902902716051
Energy: 1.1432487441878953
Energy: 1.057190454297166
Energy: 1.336274451904554
Energy: 0.9934940488525802
Energy: 1.0564554823397594
Energy: 1.1435292523034584
Energy: 0.99301017745734
Energy: 1.0568199040456707
Energy: 1.1423097766494876
Energy: 0.9940713225475932
Energy: 0.9945495640515654
Energy: 1.142481686369171
Energy: 0.9937472522890782
Energy: 0.9945367964043825
Energy: 1.1439978102537798
Energy: 1.057209471625649
Energy: 1.0951716074652684
Energy: 1.1440785740075055
Energy: 1.0577292745399087
Energy: 1.1426729590374256
Energy: 1.1429633127136585
Energy: 1.052511964387499
Energy: 1.0525615908903805
Energy: 1.1429828342495971
Energy: 1.0529442594519156
Energy: 1.0534962164499797
Energy: 1.2038507100851845
Energy: 1.0523993286533502
Energy: 1.0938779710394204
Energy: 1.1427030370143734
Energy: 1.0536347310611083
Energy: 1.0937687584218945
Energy: 1.067625837536033
Energy: 1.0854139452650138
Energy: 1.0836600721936724
Energy: 1.0854844685318243
Energy: 1.0859407055741697
Energy: 1.0842012873882276
Energy: 1.2034628826795208
Energy: 1.0866583698092387
Energy: 1.089044235114311
Energy: 1.0854489337708086
Energy: 1.13659122851899
Energy: 1.0868916669007902
Energy: 1.0673278805793591
Energy: 1.0951428875357248
Energy: 1.0938439434908394
Energy: 1.0610199241718428
Energy: 1.0864046743687485
Energy: 1.0945080681003156

minimum gb energy = 0.99301017745734 eV
minimum distance =  2.32005617387932 Angstroms
sigma value = 9


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

Energy: 2.108724096409614
Energy: 2.8388478139687203
Energy: 1.2482001326614454
Energy: 1.2662153600555242
Energy: 2.919782136868275
Energy: 1.2452776740735698
Energy: 1.274511243790724
Energy: 0.9903070855253591
Energy: 0.9883785225472685
Energy: 0.9847167991592662
Energy: 0.9909105758828501
Energy: 0.9799422091281372
Energy: 1.0287889351385269
Energy: 0.9914447567227042
Energy: 0.9905723703587048
Energy: 1.0023960876114815
Energy: 0.99230364853898
Energy: 0.9939771734453366
Energy: 1.0303098552577963
Energy: 0.9669594968191444
Energy: 0.9770079477869135
Energy: 0.9861223331780191
Energy: 0.9832803176710572
Energy: 0.9591107688439718
Energy: 1.4295828105385922
Energy: 0.9791521551199333
Energy: 0.9796843822078579
Energy: 1.018382956177557
Energy: 1.0069593241556178
Energy: 1.0051077409145097
Energy: 1.0180827142181128
Energy: 0.8977446626787704
Energy: 0.979595330767457
Energy: 1.0184505437738984
Energy: 0.8977131689678687
Energy: 0.9837790577122875
Energy: 1.019535507592428
Energy: 0.9666457828570573
Energy: 0.9665367027026202
Energy: 1.019703697519403
Energy: 0.9659625241416598
Energy: 1.01812076498295
Energy: 1.0186146300942704
Energy: 0.9540384444453206
Energy: 0.9672508839861504
Energy: 1.0186450150882536
Energy: 0.9524691705814178
Energy: 1.0395765252058553
Energy: 1.4523829706605276
Energy: 1.0017251294022058
Energy: 1.0291151798004805
Energy: 1.0144422732203966
Energy: 1.009186228768601
Energy: 1.048983704114963
Energy: 0.9523667788901683
Energy: 1.0016751788562046
Energy: 0.9847021100043335
Energy: 0.9723446770162729
Energy: 1.0130170915145253
Energy: 0.9471511031030962
Energy: 0.9525205121796417
Energy: 1.0187277414907987
Energy: 1.0436769207156669
Energy: 1.0025612377044524
Energy: 1.0186458764276216
Energy: 0.9938421980890919
Energy: 1.4361697066365373
Energy: 1.0187189654200732
Energy: 1.018428270871952
Energy: 0.9832414189865112
Energy: 1.0187620232258632
Energy: 1.0060372870242438
Energy: 1.0353556294204822
Energy: 1.041545329926033
Energy: 1.2256433900782213
Energy: 0.9731797462552942
Energy: 1.1489510314135343
Energy: 1.0616190376928354
Energy: 1.436312247994588
Energy: 1.0181899607976383
Energy: 1.0020377526164643
Energy: 0.98320629657789
Energy: 1.0184174957300736
Energy: 1.0074570651376802
Energy: 0.9898730145410685
Energy: 0.9964260726482382
Energy: 0.9981096241890953
Energy: 0.9895856714290824
Energy: 0.9967154967002638
Energy: 0.9701493342292496
Energy: 0.9905394120815895
Energy: 0.9567932594027714
Energy: 0.9751959200975919
Energy: 0.9915907443142876
Energy: 1.0080107181293105
Energy: 1.008561473930409
Energy: 0.9901649833944111
Energy: 0.9643128065863353
Energy: 0.9650487794256991
Energy: 0.9901911161884994
Energy: 0.981485150149236
Energy: 0.978942389987312
Energy: 1.1861784906367978
Energy: 0.9678496472903568
Energy: 0.9658558233887211
Energy: 0.98990159795823
Energy: 0.97062919620642
Energy: 0.9911540362538503
Energy: 1.0297998710510947
Energy: 0.9813823710089884
Energy: 0.9613310173981878
Energy: 0.9900356767464275
Energy: 0.9807165593839295
Energy: 0.990863022067216
Energy: 1.0301597371115623
Energy: 0.980389741626296
Energy: 0.9594702543810929
Energy: 0.978760147214472
Energy: 0.9787180327792119
Energy: 0.9391805929186858
Energy: 1.0292185895668917
Energy: 0.9810540731647833
Energy: 0.9674890637106935
Energy: 0.9772983159300689
Energy: 0.9806954707670547
Energy: 0.9376456633061567
Energy: 1.453719872885282
Energy: 2.5076261322626423
Energy: 1.0216703221979369
Energy: 1.0084573740216118
Energy: 0.9903184398764917
Energy: 0.9869633171224422
Energy: 1.4544650179186367
Energy: 0.9904771604835648
Energy: 0.9729747273182433
Energy: 1.0081498745262227
Energy: 0.990518744139985
Energy: 0.9449252441615662
Energy: 1.0289831078206972
Energy: 0.9912844744175856
Energy: 0.990999785420918
Energy: 1.0141386912414854
Energy: 0.9920517017959675
Energy: 0.9961672865937942
Energy: 1.347162166003468
Energy: 0.9662756778586532
Energy: 0.9687051965362085
Energy: 0.9559878215462986
Energy: 0.9900489852747074
Energy: 1.020225019500162
Energy: 1.2773486560350513
Energy: 0.9839042277212926
Energy: 1.0078693897410773
Energy: 1.0203690286555223
Energy: 0.9836124366847641
Energy: 1.0055626587289288
Energy: 1.1773255475758533
Energy: 0.9800848821846697
Energy: 1.0027148282101805
Energy: 1.209115020513724
Energy: 0.8982620613257943
Energy: 0.9448945489029473
Energy: 1.018596403872098
Energy: 0.9665626567272331
Energy: 0.9660192200351126
Energy: 1.018974441179145
Energy: 0.9840870625736781
Energy: 1.0185541679906305
Energy: 1.0190720969498412
Energy: 0.9660622432048178
Energy: 0.9678425436736573
Energy: 1.0191828483673124
Energy: 1.0083575179406783
Energy: 1.048735862545695
Energy: 1.298903045714003
Energy: 0.954149107662445
Energy: 0.9668417775686088
Energy: 1.0022618706399073
Energy: 0.9524503908956755
Energy: 0.9856660451742785
Energy: 0.95247814487794
Energy: 1.0030232493322309
Energy: 1.0396015422480214
Energy: 1.0024447606064837
Energy: 1.0131870555748423
Energy: 0.9894510527597167
Energy: 0.9525929085403576
Energy: 1.018001875423224
Energy: 1.03760445559458
Energy: 0.9710013073783124
Energy: 1.0176302881352464
Energy: 0.9466272457435758
Energy: 1.437568609441029
Energy: 1.0191840066950837
Energy: 1.0183809194272013
Energy: 0.9686894161084966
Energy: 1.0192975991521174
Energy: 0.9677213472539011
Energy: 1.2364507244134573
Energy: 1.01847949945605
Energy: 1.0209141094493779
Energy: 1.0038425654652454
Energy: 1.0180552276400785
Energy: 0.9656310577410667
Energy: 1.2338700690881987
Energy: 1.0185005958118996
Energy: 1.001904567614854
Energy: 1.0083276817611402
Energy: 1.0183800619834513
Energy: 1.0022260847676954
Energy: 1.0365021482213987
Energy: 0.9908442310842045
Energy: 0.9834959880493336
Energy: 1.011021178856496
Energy: 0.9948017518306165
Energy: 0.9835092031550965
Energy: 0.9906963376788283
Energy: 0.9830745297930337
Energy: 0.9675185114439048
Energy: 0.9921081188816064
Energy: 1.002766351695379
Energy: 0.984279386908244
Energy: 0.9906846062259146
Energy: 0.9787464959101206
Energy: 0.9808481538832321
Energy: 0.9904650561357982
Energy: 0.9817300990117847
Energy: 0.9660883858291168
Energy: 0.9894003489651128
Energy: 0.9670635439563245
Energy: 0.9875957841265885
Energy: 0.9891718754466773
Energy: 0.9712751652383717
Energy: 0.9825532441209195
Energy: 1.0283033046166374
Energy: 0.9798967147153831
Energy: 0.9820151713676237
Energy: 0.9904260940751998
Energy: 0.9794586812893378
Energy: 0.9605622687065631
Energy: 1.0270013101887256
Energy: 0.9572623040165555
Energy: 0.9553887468297301
Energy: 0.9793880091877794
Energy: 0.9816692872186499
Energy: 0.9563526864497628
Energy: 1.0295929640098254
Energy: 0.9811250882925048
Energy: 0.9848872414708225
Energy: 1.0013921989109702
Energy: 0.979631075804491
Energy: 0.9647554312840557
Energy: 1.4540197630001679
Energy: 0.9904951923178842
Energy: 0.9809846037545211
Energy: 1.0082233217063368
Energy: 0.9911809950574534
Energy: 0.9448745876138613

minimum gb energy = 0.8977131689678687 eV
minimum distance =  2.312963694581 Angstroms
sigma value = 57


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

Energy: 0.49355118716307744
Energy: 1.56230406386011
Energy: 0.4954740144470377
Energy: 0.49645343869995595
Energy: 1.6421696303495685
Energy: 0.4955159668193134
Energy: 0.6147256039920964
Energy: 0.5262775347831887
Energy: 0.5270459316350848
Energy: 0.555137967850032
Energy: 0.5193248982804012
Energy: 0.5379924301998661
Energy: 0.6181846494163821
Energy: 0.525699820581223
Energy: 0.5251763103025008
Energy: 0.5573045426050474
Energy: 0.5577352432427615
Energy: 0.5271260874822359
Energy: 0.6186526055649609
Energy: 0.5195468340218712
Energy: 0.5247474431167619
Energy: 0.5631835267675454
Energy: 0.5593008084603925
Energy: 0.528380187742135
Energy: 0.6132742749155278
Energy: 0.5284340492944946
Energy: 0.49659605416015024
Energy: 0.5580709421535677
Energy: 0.49594391548956807
Energy: 0.5415890283081142
Energy: 0.5557412060029704
Energy: 0.49713189003664554
Energy: 0.4988411360028405
Energy: 0.5635136168124882
Energy: 0.49491214770888786
Energy: 0.5275046701187427
Energy: 0.5499087062625209
Energy: 0.5236943005252299
Energy: 0.5278347711638608
Energy: 0.5533616436259328
Energy: 0.5194456127590033
Energy: 0.541619594738254
Energy: 0.5565088734315351
Energy: 0.5306085148379147
Energy: 0.5235937064243444
Energy: 0.5573556543360313
Energy: 0.5232114907227148
Energy: 0.5265699599113384
Energy: 0.612819768042279
Energy: 0.5426600844872568
Energy: 0.5432662779674656
Energy: 0.5561947299994968
Energy: 0.5603792713555557
Energy: 0.5257177559747345
Energy: 0.4940234594934042
Energy: 1.6781812052127483
Energy: 0.496795863006746
Energy: 0.494488538962048
Energy: 0.5577322907849881
Energy: 0.5275262690807283
Energy: 0.49409967927604187
Energy: 0.5228853485692821
Energy: 0.5403684709214448
Energy: 0.49474468055596343
Energy: 0.520723005938082
Energy: 0.49768404229391516
Energy: 0.6152201241509229
Energy: 0.5652772389065567
Energy: 0.5386326203927593
Energy: 0.5194872185318768
Energy: 0.5562659762657108
Energy: 0.5384753714373145
Energy: 0.618972596692894
Energy: 0.6143310089342655
Energy: 0.6155275630220921
Energy: 0.5271667613784388
Energy: 0.6197224663395753
Energy: 0.5862054744316466
Energy: 0.6137251068339311
Energy: 0.5654187718896764
Energy: 0.5400751759736302
Energy: 0.5233379270970228
Energy: 0.5570185981420285
Energy: 0.5396889593775218
Energy: 0.5185513158218867
Energy: 0.49548836445941524
Energy: 0.4960513938785929
Energy: 0.5189011997921718
Energy: 0.49998041181405906
Energy: 0.49562013026270524
Energy: 0.5529000269634765
Energy: 0.5385382667546107
Energy: 0.53906134454661
Energy: 0.5170459784096126
Energy: 0.4971310800322071
Energy: 0.5506639760505324
Energy: 0.5553491005465644
Energy: 0.5076009868721707
Energy: 0.5412162960013283
Energy: 0.5561728635426476
Energy: 0.5668417250321884
Energy: 0.5259076593085866
Energy: 0.6167670521015265
Energy: 0.5232602027944069
Energy: 0.5413674578684186
Energy: 0.563121121193635
Energy: 0.5240783372776636
Energy: 0.5260036132550165
Energy: 0.49423406972987627
Energy: 0.5228775456076877
Energy: 0.5257977038605245
Energy: 0.49501329267443916
Energy: 0.520642830538511
Energy: 0.5405956631924205

minimum gb energy = 0.49355118716307744 eV
minimum distance =  2.35525964010019 Angstroms
sigma value = 11


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

Energy: 1.5220008447555053
Energy: 2.772965492918097
Energy: 0.8667130635595508
Energy: 1.1287591239287964
Energy: 2.690756234628881
Energy: 0.8664834414591024
Energy: 0.8390540528453397
Energy: 0.85576435348501
Energy: 0.8467956525045636
Energy: 0.8430272002352297
Energy: 0.8545440495718907
Energy: 0.8495177159906382
Energy: 0.8380100044483312
Energy: 0.8458923915120532
Energy: 0.8485353928969285
Energy: 0.8411957951689851
Energy: 0.8447764654140022
Energy: 0.8382611342539864
Energy: 0.8394688558150839
Energy: 0.8583249882372153
Energy: 0.8622160053069958
Energy: 0.8420046971876027
Energy: 0.8475931930518752
Energy: 0.847109508252691
Energy: 0.8391900370552442
Energy: 0.9356850283280153
Energy: 0.8866940664771209
Energy: 0.8546891017755879
Energy: 0.8636134208108512
Energy: 0.8470212652175124
Energy: 1.126251156002809
Energy: 0.90159655187985
Energy: 0.9005701654944313
Energy: 0.8424062563874998
Energy: 0.8568006762208168
Energy: 0.8860407247708264
Energy: 1.0678036053848916
Energy: 0.8428680863813123
Energy: 0.8454488489170897
Energy: 0.8411825780337099
Energy: 0.8411887083435328
Energy: 0.838481416427265
Energy: 0.8604758758520102
Energy: 0.9301398582464664
Energy: 0.9316311976366431
Energy: 0.8748735228357382
Energy: 0.9279903781558223
Energy: 0.9286538582122008
Energy: 1.1240343025623067
Energy: 0.885064021344519
Energy: 0.9012520124823261
Energy: 0.8541354473302072
Energy: 0.8487672439577615
Energy: 0.8993419038753102
Energy: 1.4041254414476827
Energy: 0.882678682991047
Energy: 0.8861376431498222
Energy: 0.9244419277752246
Energy: 0.8816065344851683
Energy: 0.8995044211482252
Energy: 1.4968931137763086
Energy: 0.8808638271279591
Energy: 0.8845798175632421
Energy: 0.9107559615727465
Energy: 0.8813395475863142
Energy: 0.8873914117342747
Energy: 1.2405499938460152
Energy: 0.8235240566386193
Energy: 0.8377728206938827
Energy: 0.93789351445345
Energy: 0.8162918881803741
Energy: 0.8590655692044434
Energy: 1.0524257748391002
Energy: 0.8134528128911555
Energy: 0.8131837496540519
Energy: 0.9963577171262326
Energy: 0.816958075437062
Energy: 0.8617557144141814
Energy: 1.0499857324067972
Energy: 0.9373725837007924
Energy: 0.9375210223901118
Energy: 0.8957019384397826
Energy: 0.9405580331666101
Energy: 0.9365415468926571
Energy: 1.1039266658712035
Energy: 1.0792337293902583
Energy: 1.0170975807997702
Energy: 1.270479872070624
Energy: 1.04795146989771
Energy: 0.8953803062116912
Energy: 1.4412821205199515
Energy: 0.9396018918742219
Energy: 0.9374926580103781
Energy: 0.8947519287188048
Energy: 0.9439351361073808
Energy: 0.938069941012573
Energy: 1.2989430844397876
Energy: 0.8980239482838518
Energy: 0.8565348699064951
Energy: 0.992152810043773
Energy: 0.9167373305104491
Energy: 0.8625364748747318
Energy: 1.484610037153634
Energy: 0.8946779234097011
Energy: 0.9411295684021025
Energy: 0.9375736178184589
Energy: 0.8944521450073047
Energy: 0.9384543436466235
Energy: 1.402232249910893
Energy: 0.8562697454181938
Energy: 0.9065855331665547
Energy: 0.8834991356241374
Energy: 0.8551924039590459
Energy: 0.9017410826993866
Energy: 1.0924015794290185
Energy: 0.9443308741001255
Energy: 0.950165882198741
Energy: 0.84461204431965
Energy: 1.2284195848075292
Energy: 0.8621795509814755
Energy: 1.4384114632271054
Energy: 0.9421133303739934
Energy: 0.890240769352917
Energy: 0.8961695852440232
Energy: 0.9411863252025373
Energy: 0.8862089674083068
Energy: 0.9941555222574271
Energy: 0.8710538307138089
Energy: 0.870663349159685
Energy: 0.9226400271382911
Energy: 1.0975692981935383
Energy: 0.9403222518098959
Energy: 0.9238086319717937
Energy: 0.882877062765525
Energy: 0.8967270497673343
Energy: 0.8830235058968234
Energy: 0.9011489119385523
Energy: 0.8849659021266951
Energy: 0.925479815233656
Energy: 0.846359629717706
Energy: 0.8386167948837371
Energy: 0.9275428250959318
Energy: 0.8415092147044501
Energy: 0.84652387191497
Energy: 0.955633320138476
Energy: 0.8431827705868735
Energy: 0.8377307358251265
Energy: 0.9551919432062771
Energy: 0.8416292036057141
Energy: 0.8471865677302528
Energy: 1.4984362896059393
Energy: 0.8445074905325606
Energy: 0.847644999501226
Energy: 0.85655422843951
Energy: 0.8412936172855825
Energy: 0.8115006932642839

minimum gb energy = 0.8115006932642839 eV
minimum distance =  2.31135826879783 Angstroms
sigma value = 41


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

Energy: 1.6544281810141388
Energy: 2.6612777431467323
Energy: 0.922595228953348
Energy: 1.2422282725329008
Energy: 2.6869094669562528
Energy: 1.2429455219689176
Energy: 0.9151004245580767
Energy: 0.919311606911787
Energy: 0.9113407720597846
Energy: 0.9173618882642826
Energy: 0.9127328314340111
Energy: 0.9106481605439416
Energy: 0.915828990684957
Energy: 0.9122557632453975
Energy: 0.9112279161042852
Energy: 0.9192609143446961
Energy: 0.9177042473642347
Energy: 0.9106445257593413
Energy: 0.9164217247312377
Energy: 0.9179040232311375
Energy: 0.9105562571324687
Energy: 0.9196701416781012
Energy: 0.9111196180716128
Energy: 0.9145304652919231
Energy: 0.9165495362819681
Energy: 0.9110578881366986
Energy: 0.9139894650704785
Energy: 0.9437774841341122
Energy: 0.9428878596202468
Energy: 0.9188168219158438
Energy: 1.295940323507066
Energy: 0.9224162479561905
Energy: 0.9107657278408452
Energy: 0.9443824041741832
Energy: 0.9201885592756022
Energy: 0.9190253626470277
Energy: 1.2845832985101004
Energy: 0.9179414451729021
Energy: 0.914758053745239
Energy: 0.9456211378685655
Energy: 0.917235918217885
Energy: 0.9126784227942722
Energy: 0.951765250416436
Energy: 1.0604864918243408
Energy: 0.9520197459973061
Energy: 0.8756172537370484
Energy: 1.0598407971956982
Energy: 0.88639185663157
Energy: 1.2947770025272194
Energy: 0.9152139220086238
Energy: 0.9116572063935896
Energy: 0.9419480727610015
Energy: 0.9195223005020555
Energy: 0.9113331121747313
Energy: 1.284267589653254
Energy: 0.9182452993478394
Energy: 0.9100279851265886
Energy: 0.9206005205157597
Energy: 0.9188305074550966
Energy: 0.9110118348467618
Energy: 1.2870500915173397
Energy: 0.9180327039402598
Energy: 0.9094619752344292
Energy: 0.9209134838030743
Energy: 0.9168150668495142
Energy: 0.9111641177956654
Energy: 1.48459994388737
Energy: 0.8749979673838821
Energy: 0.8758094080061114
Energy: 0.9426733570503143
Energy: 0.8749487446448979
Energy: 0.9116180996935032
Energy: 1.0200593355917504
Energy: 0.8752785615851482
Energy: 0.8752932839499185
Energy: 0.9601194788976359
Energy: 0.875037469032884
Energy: 0.8769546827254378
Energy: 1.0155120277303018
Energy: 0.91227335017989
Energy: 0.9117026314590089
Energy: 1.0190961137586925
Energy: 0.941690683973332
Energy: 0.9116795279511322
Energy: 1.0605880344890364
Energy: 1.03812389133494
Energy: 1.061995070635063
Energy: 1.0615556843680924
Energy: 1.0959129375866803
Energy: 1.0620326537966251
Energy: 0.9148621403300681
Energy: 0.9171401825163898
Energy: 0.9118740542785064
Energy: 0.9176563742602897
Energy: 0.9421484893598935
Energy: 0.9117391096217405
Energy: 1.6132068330526463
Energy: 2.8337770481492064
Energy: 0.87432774151567
Energy: 0.9761326613226837
Energy: 0.9191406881748146
Energy: 1.0651088157843924
Energy: 0.9540179447283772
Energy: 0.9192699348308916
Energy: 0.9202983800459182
Energy: 0.8750340453416607
Energy: 0.9190477761947802
Energy: 0.8762557979435199
Energy: 0.9157326035273538
Energy: 0.9173442713137419
Energy: 0.916816991243452
Energy: 0.9181657542692424
Energy: 0.9185439679106834
Energy: 0.9112011117938317
Energy: 0.9157137887447182
Energy: 0.911110645783073
Energy: 0.909949097519767
Energy: 0.9181928082270926
Energy: 0.9174937352333613
Energy: 0.9114449225338169
Energy: 0.9153528539316328
Energy: 0.913745524818278
Energy: 0.9109137525650869
Energy: 0.9433322158909972
Energy: 0.9192540119689272
Energy: 0.9110569474419893
Energy: 1.4464844352907453
Energy: 1.1022777001260793
Energy: 1.1009987657192022
Energy: 1.1464357151439868
Energy: 1.1018590264450279
Energy: 1.1335833032673825
Energy: 1.2950160504282464
Energy: 0.9148594421095594
Energy: 0.912326511276045
Energy: 0.9433042407065835
Energy: 0.9189859396888912
Energy: 0.9111141284546737
Energy: 0.9515247346788084
Energy: 1.0381954053643754
Energy: 0.9316327053043616
Energy: 0.877140395523848
Energy: 1.0662757176129172
Energy: 0.8804947629834688
Energy: 1.2846233209392919
Energy: 0.917367231512681
Energy: 0.9225965808069324
Energy: 0.9424640824028772
Energy: 0.9177746344682123
Energy: 0.9143843899005584
Energy: 1.2844848378315135
Energy: 0.9178374213100922
Energy: 0.9097618574896588
Energy: 0.9233619630421038
Energy: 0.9172239506736214
Energy: 0.9094070269035636
Energy: 1.2841727390604691
Energy: 0.9182085103981074
Energy: 0.9101181096752914
Energy: 0.9202270363224011
Energy: 0.9344603338631844
Energy: 0.9114100901116868
Energy: 1.2949467096815404
Energy: 0.9382113914404958
Energy: 0.9102019745891728
Energy: 0.9421860879006446
Energy: 0.9096783388805327
Energy: 0.9117569850265553
Energy: 1.0190557104507687
Energy: 0.976217799800032
Energy: 0.9671014704465752
Energy: 1.020239328114404
Energy: 0.8747643718215132
Energy: 0.9671282173905944
Energy: 1.0156873196797371
Energy: 0.9185728748781619
Energy: 0.912069084568028
Energy: 1.018794307230466
Energy: 0.9205571909547625
Energy: 0.9123258220020027
Energy: 1.019468654909104
Energy: 0.9108131777033996
Energy: 0.9125631374979132
Energy: 1.0194002044989456
Energy: 0.9179073028756994
Energy: 0.9176931846342049
Energy: 0.9147641451968247
Energy: 0.913699435898397
Energy: 0.9175486443596956
Energy: 0.9431468020367019
Energy: 0.9174773059123819
Energy: 0.9174277683876219
Energy: 1.6160879969735604
Energy: 0.9196496030626122
Energy: 0.8745608417292531
Energy: 0.8812723772549038
Energy: 0.919001895771759
Energy: 0.9353784004984201

minimum gb energy = 0.87432774151567 eV
minimum distance =  2.31753639073709 Angstroms
sigma value = 33


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

Energy: 1.2405718948312656
Energy: 2.7148818766520404
Energy: 1.0169064533226835
Energy: 0.9614272056417489
Energy: 2.396907018871724
Energy: 1.0156169886075415
Energy: 0.9996837309875746
Energy: 0.9743711832341722
Energy: 0.9747433804770619
Energy: 0.947755700734549
Energy: 0.9766212992811776
Energy: 0.9756450411867901
Energy: 1.0009686342303068
Energy: 0.9758173098992556
Energy: 0.9761604170434319
Energy: 0.9736961257682497
Energy: 0.9722367549914472
Energy: 0.9757925133455967
Energy: 1.00574920940149
Energy: 0.9749616164882209
Energy: 0.9741722530947579
Energy: 1.007243872295652
Energy: 0.9760002634686572
Energy: 0.9737285413864568
Energy: 1.0013696945363921
Energy: 0.9744274659728281
Energy: 0.9472021041746389
Energy: 1.0036991925813912
Energy: 0.9932737084601814
Energy: 0.946684156948543
Energy: 1.051922635594605
Energy: 0.9523942390116389
Energy: 0.952673608211984
Energy: 1.0035581053277425
Energy: 0.9782924419017032
Energy: 0.9530108750992787
Energy: 1.4654690843406961
Energy: 0.9501284756362762
Energy: 0.9755468404157378
Energy: 1.001727389783857
Energy: 0.949050572713887
Energy: 0.9725035605155107
Energy: 1.047497547202344
Energy: 1.0141614271480714
Energy: 0.9588984899114644
Energy: 0.9431372363171822
Energy: 0.9807057529262565
Energy: 0.9597824413529268
Energy: 1.0516219915076084
Energy: 0.9478252017108334
Energy: 0.9459613071874652
Energy: 0.9464313160328731
Energy: 0.9470926979864095
Energy: 0.9452424875309913
Energy: 1.4671675236235286
Energy: 0.9478140172418357
Energy: 0.9465493655721587
Energy: 0.9736629726654435
Energy: 0.9501922157412324
Energy: 0.9471267862206759
Energy: 1.4665898474095962
Energy: 0.9508085681332709
Energy: 0.9748255514946544
Energy: 0.9764498834437269
Energy: 0.949513327227187
Energy: 0.9726834717226607
Energy: 1.0501278371771197
Energy: 0.9424662493797431
Energy: 0.9422827954203378
Energy: 0.9774607418435086
Energy: 0.9489180738475399
Energy: 0.9426560892942296
Energy: 1.002330037795108
Energy: 0.9424050382121093
Energy: 0.9424122369220603
Energy: 0.9784036403585283
Energy: 0.952297864650045
Energy: 0.9430013973571272
Energy: 0.9998410651546005
Energy: 0.9748573974800022
Energy: 0.9726900084403364
Energy: 1.002573667194528
Energy: 0.9753103524590762
Energy: 0.972144631802115
Energy: 0.9584296267321053
Energy: 0.973169260601632
Energy: 0.9734083841386583
Energy: 0.972517714651334
Energy: 0.972801834315602
Energy: 0.9737296088221195
Energy: 1.0009048784545898
Energy: 0.9730170984912672
Energy: 0.9734860684977915
Energy: 0.9929135906966698
Energy: 1.002986996613815
Energy: 0.9952588406543853
Energy: 1.4628566956094498
Energy: 1.006786797130637
Energy: 0.9477242256736387
Energy: 0.9780553172173768
Energy: 1.0025282242458573
Energy: 0.9480328408206132
Energy: 1.468643688797173
Energy: 0.9473564569223071
Energy: 0.9464536942392165
Energy: 1.0034635775434735
Energy: 1.0035970383682402
Energy: 0.9472282727927986
Energy: 1.0036378178455467
Energy: 0.9452551754086393
Energy: 0.943042768609073
Energy: 0.9529354800891341
Energy: 0.9467020682772987
Energy: 0.9746361546805655
Energy: 0.9529397800230958
Energy: 0.944867723045496
Energy: 0.9425552978515135
Energy: 0.9899244555586159
Energy: 0.9468092383623425
Energy: 0.9750680749918507
Energy: 0.9471807757885937
Energy: 0.9731778295348564
Energy: 0.9474420454467558
Energy: 0.9485262965708805
Energy: 0.9743517587040671
Energy: 0.9897292018622911
Energy: 0.9836757518829466
Energy: 0.9501853501940399
Energy: 0.9506393780897139
Energy: 1.0182753971465062
Energy: 0.9479364165328849
Energy: 0.9525295077063662
Energy: 1.4155055594708958
Energy: 0.9739631392471005
Energy: 0.9734080420227085
Energy: 0.947454570901806
Energy: 0.9744594310344941
Energy: 0.9478666435144651
Energy: 1.0526234364451614
Energy: 2.623533098206781
Energy: 0.9463590196636712
Energy: 0.9435363284947073
Energy: 2.364087480383543
Energy: 0.9455271428465943
Energy: 1.8797897491496574
Energy: 0.9751293945757944
Energy: 0.9751096467323827
Energy: 0.9483312580252868
Energy: 0.9753378888787536
Energy: 0.9750701584493325
Energy: 1.0070025389313249
Energy: 0.975402755569243
Energy: 0.9764943345474782
Energy: 0.9749629596567344
Energy: 0.9732146425423229
Energy: 0.9772425208360161
Energy: 1.0006780040963026
Energy: 0.9747664152175163
Energy: 0.9756937184097578
Energy: 0.9751744052801958
Energy: 0.9752519153520588
Energy: 0.9747472744892622
Energy: 1.0027586210029737
Energy: 0.9476982419450709
Energy: 0.9471762571760436
Energy: 1.0025086687232534
Energy: 0.9779101972671825
Energy: 0.9769787547761571
Energy: 1.1016067782801402
Energy: 0.9527101913056409
Energy: 0.9522804266922368
Energy: 1.0502963685064755
Energy: 0.9479252928631754
Energy: 0.9519385287141033
Energy: 1.050659614636511
Energy: 0.9478338286552844
Energy: 0.9482748977157245
Energy: 1.0023339998819945
Energy: 0.9481258699624454
Energy: 0.9742890137453801
Energy: 1.047077292586858
Energy: 0.9528165542380882
Energy: 0.9587589101303124
Energy: 0.9431656043354641
Energy: 0.9818751759471553
Energy: 0.959292155018204
Energy: 1.053669709350387
Energy: 0.9497300491622162
Energy: 0.9486383842415615
Energy: 0.9745114928878177
Energy: 0.948505715122911
Energy: 0.9869436112236764
Energy: 1.466944791226082
Energy: 0.9486388417626539
Energy: 0.948161010282373
Energy: 0.9740861564016055
Energy: 0.9501323679969037
Energy: 0.9746393256266345
Energy: 1.4669901766666849
Energy: 0.9485535237034078
Energy: 0.9751967510107554
Energy: 0.9740376722273157
Energy: 0.9529857849637848
Energy: 0.973744462462904
Energy: 1.053225913097433
Energy: 0.9423677351869332
Energy: 0.942738958020168
Energy: 0.9763264608573285
Energy: 0.9488351261494086
Energy: 0.944473155209374
Energy: 1.003184164323576
Energy: 0.9426796230669353
Energy: 0.9442081942166681
Energy: 1.0029115444509167
Energy: 0.943345659162138
Energy: 0.944488738620138
Energy: 0.9989293243457056
Energy: 0.9901842178964358
Energy: 0.973506198719467
Energy: 1.002055105839873
Energy: 0.9929050341470808
Energy: 0.9721891919066565
Energy: 0.9738663998800073
Energy: 0.9719531050439771
Energy: 0.9739432827527534
Energy: 0.9762581239177696
Energy: 0.9718492987602902
Energy: 0.9947886267548951
Energy: 0.9997513155176037
Energy: 0.9916748018992938
Energy: 0.9720075202038962
Energy: 0.9741824804977706
Energy: 1.0024923181812597
Energy: 0.9725816641444043
Energy: 1.4622596793007985
Energy: 0.9967405193472667
Energy: 0.9474047089514038
Energy: 0.973391713732911
Energy: 1.0030814418132639
Energy: 0.9490796154281211
Energy: 1.4636365431129954
Energy: 0.9471256882247376
Energy: 0.9470428545392267
Energy: 1.0066765927774133
Energy: 1.002984443006707
Energy: 0.9473049772040122
Energy: 1.0006284486124457
Energy: 0.9452535534930646
Energy: 0.9430383413120494
Energy: 0.9519764132366675
Energy: 0.9470380131528788
Energy: 0.9731860295042666
Energy: 0.9499926611919844
Energy: 0.9446865249867421
Energy: 0.9438835905936294
Energy: 0.9495456330559585
Energy: 0.9447022386375662
Energy: 0.9443083903942437
Energy: 0.9469215525833429
Energy: 0.9480297357961509
Energy: 0.9455252723757013
Energy: 0.9487070855231173
Energy: 0.9454475103034928
Energy: 0.9482663595497431
Energy: 0.9817414891316932
Energy: 0.9498768374137624
Energy: 1.014067695938359
Energy: 0.9812651339928743
Energy: 0.9496272030818562
Energy: 1.014626739151148
Energy: 0.9998576962844514
Energy: 0.9731458854932085
Energy: 0.9723425550079582
Energy: 0.9485620768193923
Energy: 0.9770994213345425
Energy: 0.9741102914060908
Energy: 1.8785418610248095
Energy: 2.492512739295784
Energy: 0.944555758058666
Energy: 0.9548018753858023
Energy: 0.9773705477625142
Energy: 0.9443498976576309

minimum gb energy = 0.9422827954203378 eV
minimum distance =  2.32577520196485 Angstroms
sigma value = 67


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

Energy: 1.463248860349318
Energy: 1.8695234204881683
Energy: 1.0269394093077355
Energy: 1.0348761602475218
Energy: 1.9378268444410263
Energy: 1.0261244764936857
Energy: 1.0788716249436723
Energy: 1.0367235566913662
Energy: 1.0364019156590096
Energy: 1.0357021317294588
Energy: 1.0376261680319407
Energy: 1.0355099830461707
Energy: 1.0830875225920216
Energy: 0.9967165417895476
Energy: 1.0378277324142904
Energy: 1.0374686670241267
Energy: 0.9957573274652303
Energy: 1.0381819500420173
Energy: 1.0826098964148456
Energy: 1.0344712541654786
Energy: 1.0342238864394873
Energy: 1.0362678353738846
Energy: 1.034670295056185
Energy: 1.0337916147312234
Energy: 1.0740302014343033
Energy: 1.0376797635098083
Energy: 1.0379154388692031
Energy: 1.075109578915355
Energy: 1.0377064676603223
Energy: 1.0385992056904076
Energy: 1.0768197511164235
Energy: 1.0399613733684254
Energy: 1.0412393002413485
Energy: 1.0778959355511328
Energy: 1.039315909288455
Energy: 1.041548054082956
Energy: 1.149697818501752
Energy: 1.0371559076292263
Energy: 1.0370676443497004
Energy: 0.9967832559047223
Energy: 1.0376408484751238
Energy: 1.0363995214523183

minimum gb energy = 0.9957573274652303 eV
minimum distance =  2.34784162918392 Angstroms
sigma value = 3


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

Energy: 1.907551764658408
Energy: 2.4538639736186183
Energy: 1.1961420656597748
Energy: 1.2096746973767627
Energy: 2.468276540337161
Energy: 1.2363490999836813
Energy: 1.2273827062474507
Energy: 1.1643513953961262
Energy: 1.1723773169442664
Energy: 1.1688465507009302
Energy: 1.2099253271694486
Energy: 1.162292716198203
Energy: 1.2196207480618
Energy: 1.1699209711600118
Energy: 1.1702005539623237
Energy: 1.1592861046598495
Energy: 1.1676826118083758
Energy: 1.160672107517262
Energy: 1.2209773167542561
Energy: 1.1553874742395756
Energy: 1.210198889203599
Energy: 1.2213532485580454
Energy: 1.16671283526908
Energy: 1.1551906253257895
Energy: 1.2054996690392683
Energy: 1.2100055708986837
Energy: 1.2146933782695633
Energy: 1.206640058858466
Energy: 1.2145213888740864
Energy: 1.2128151782851722
Energy: 1.1965731066309842
Energy: 1.2089553153862385
Energy: 1.2088307531081464
Energy: 1.2155224483009206
Energy: 1.207714236814393
Energy: 1.2077480647813665
Energy: 1.2210687114494403
Energy: 1.246879953075252
Energy: 1.237198060206727
Energy: 1.2144341713753881
Energy: 1.250315827139055
Energy: 1.2305701307832575
Energy: 1.3917155577330462
Energy: 1.2989100620816771
Energy: 1.2309090392187987
Energy: 1.191443736973663
Energy: 1.2394652802415171
Energy: 1.2942066573516595
Energy: 1.2815156289376315
Energy: 1.237542242410207
Energy: 1.2362792878656037
Energy: 1.2436410665939315
Energy: 1.2427942606818934
Energy: 1.2332663885734927
Energy: 1.3086713140822275
Energy: 1.2132733157743016
Energy: 1.2131983660690462
Energy: 1.4109391634329547
Energy: 1.2139932091853713
Energy: 1.182809009665485
Energy: 1.28541417687008
Energy: 1.180540422760645
Energy: 1.1985769752506445
Energy: 1.277425242179815
Energy: 1.2097365486304221
Energy: 1.2217166283058871
Energy: 1.284798581831294
Energy: 1.2196350946026864
Energy: 1.2229147825906566
Energy: 1.2181016656302006
Energy: 1.2156636879357123
Energy: 1.2162270467890686
Energy: 1.2172505075786666
Energy: 1.220228492697085
Energy: 1.2195565085109397
Energy: 1.1807682430837507
Energy: 1.2026319563272492
Energy: 1.2190946528469822
Energy: 1.4153836186220785
Energy: 1.219915528744923
Energy: 1.2339030013343746
Energy: 1.22596538407347
Energy: 1.2218756875124162
Energy: 1.2219434000940619
Energy: 1.2699017653143005
Energy: 1.227813554022816
Energy: 1.2872664687330209
Energy: 1.161485824722108
Energy: 1.2009064934248856
Energy: 1.2276758189485408
Energy: 1.3870730704241025
Energy: 1.2304639425898516
Energy: 1.2222873457462504
Energy: 1.244722321672448
Energy: 1.2285794402650767
Energy: 1.223305022103369
Energy: 1.3838560329691405
Energy: 1.2138935896007501
Energy: 1.211737607315402
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Energy: 1.1922843837361266
Energy: 1.1691613271814636
Energy: 1.3854677592703175
Energy: 1.226290388367282
Energy: 1.2484142388724377
Energy: 1.2623480517012158
Energy: 1.2237152538143838
Energy: 1.2643264028681502
Energy: 1.4471795983140148
Energy: 1.2258078925417546
Energy: 1.2256126120068445
Energy: 1.209199353310856
Energy: 1.2398613332306607
Energy: 1.2034562361552692
Energy: 1.3119049407622607
Energy: 1.228303994983145
Energy: 1.225811678404982
Energy: 1.2092308291225708
Energy: 1.2327732299289693
Energy: 1.20313752104967
Energy: 1.2277793764245029
Energy: 1.207850499291306
Energy: 1.2158373894001733
Energy: 1.2145734385863716
Energy: 1.2122017702571652
Energy: 1.215178210836176
Energy: 1.2134371171938387
Energy: 1.2157427291420146
Energy: 1.2101494521163239
Energy: 1.213619712061516
Energy: 1.217637658730805
Energy: 1.2100430581109867
Energy: 1.2145119061811775
Energy: 1.2155043547647044
Energy: 1.2108364742146671
Energy: 1.215774762142652
Energy: 1.2091531892900216
Energy: 1.2105920034094568
Energy: 1.2222721692120717
Energy: 1.190748520624429
Energy: 1.1899830842704837
Energy: 1.222579017354425
Energy: 1.1911847069633084
Energy: 1.245272476799741
Energy: 1.2458649826605037
Energy: 1.248300775316189
Energy: 1.2219607503166487
Energy: 1.2342127318673228
Energy: 1.254485333934396
Energy: 1.2229469186894133
Energy: 1.4124133755688852
Energy: 1.2814049297280141
Energy: 1.160005266106509
Energy: 1.146355251590245
Energy: 1.2821647142048025
Energy: 1.1652747320873087
Energy: 1.5838574202101634
Energy: 1.2911195564115892
Energy: 1.1805280373386464
Energy: 1.1463382089522993
Energy: 1.2436553378199888
Energy: 1.1653439070582592
Energy: 1.2461429406661593
Energy: 1.2372818001775516
Energy: 1.2216885672931839
Energy: 1.2399932885528129
Energy: 1.2492388077544552
Energy: 1.223044684639087
Energy: 1.2006648861168803
Energy: 1.1703919045991193
Energy: 1.169789251178733
Energy: 1.2009514906333143
Energy: 1.170750621953907
Energy: 1.2299951223516472
Energy: 1.198423377119868
Energy: 1.2073909345695446
Energy: 1.2085954075018859
Energy: 1.1995432611336783
Energy: 1.207412788678469
Energy: 1.208918572662178
Energy: 1.1986903298431542
Energy: 1.208131568616861
Energy: 1.2069166460968999
Energy: 1.2085830887645923
Energy: 1.2386016264440767
Energy: 1.2066592148948918
Energy: 1.2044119897401269
Energy: 1.2134752121617944
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Energy: 1.213473349355348
Energy: 1.2146192688411865
Energy: 1.2205277975966777
Energy: 1.3905253170870604
Energy: 1.2430853729675928
Energy: 1.245359972253586
Energy: 1.1909475644033813
Energy: 1.2879558295493905
Energy: 1.2080518836548086
Energy: 1.5522602704979018
Energy: 1.240279050561857
Energy: 1.2409039620571087
Energy: 1.195193689476192
Energy: 1.2669031372865338
Energy: 1.2374911310514431
Energy: 1.2689802946191453
Energy: 1.1815648890937145
Energy: 1.1809011931089932
Energy: 1.2200623336096807
Energy: 1.2145266059884465
Energy: 1.2469353220422053
Energy: 1.2863996153089512
Energy: 1.2132574803107663
Energy: 1.2131078809599343
Energy: 1.2872447651819503
Energy: 1.2137779321253372
Energy: 1.1821720852863031
Energy: 1.297270580380462
Energy: 1.224901964819912
Energy: 1.22125842992247
Energy: 1.2485874097746856
Energy: 1.22420598881288
Energy: 1.2266899996287601
Energy: 1.2179084447195574
Energy: 1.2167047899127816
Energy: 1.2063834364791335
Energy: 1.1552139710297424
Energy: 1.2175485109232074
Energy: 1.1987111114736642
Energy: 1.2847135752617043
Energy: 1.1916927667178565
Energy: 1.2093051937046873
Energy: 1.2124472854162485
Energy: 1.1942116740854811
Energy: 1.2132263493504623
Energy: 1.2687219432399415
Energy: 1.2285047936833742
Energy: 1.2287577488505468
Energy: 1.161656602248509
Energy: 1.2281368043289393
Energy: 1.2330795782413482
Energy: 1.3853683296668702
Energy: 1.2318545819176714
Energy: 1.216010694344729
Energy: 1.2359547361193544
Energy: 1.2298614036754099
Energy: 1.2168301873995606
Energy: 1.3916414068251541
Energy: 1.1905011439771869
Energy: 1.2125826389873693
Energy: 1.2464573013225637
Energy: 1.1882071856758127
Energy: 1.2477769331670154
Energy: 1.4034213915171005
Energy: 1.209119674540124
Energy: 1.2104252166533083
Energy: 1.4070383261459791
Energy: 1.1898426517116705
Energy: 1.2217644685642406
Energy: 1.4053615059763864
Energy: 1.2216116963486037
Energy: 1.216445419167195
Energy: 1.232083331366675
Energy: 1.2307668972810224
Energy: 1.218853879170775
Energy: 1.6703137459649466
Energy: 1.2408754204561934
Energy: 1.248640234333925
Energy: 1.2007236018406504
Energy: 1.2389306209929005
Energy: 1.243853947763918
Energy: 1.235546044024667
Energy: 1.2136168103645413
Energy: 1.2106470314302071
Energy: 1.2155031283700266
Energy: 1.2140061795614192
Energy: 1.214511925167933
Energy: 1.2105643928094572
Energy: 1.2165770278679797
Energy: 1.214592725910075
Energy: 1.2259749498792099
Energy: 1.2155383205131096
Energy: 1.2151075058944767
Energy: 1.2224574273253264
Energy: 1.2179721353463895
Energy: 1.2204952959437003
Energy: 1.2191719758133652
Energy: 1.2184507601435843
Energy: 1.2164413685418916
Energy: 1.2390150223175755
Energy: 1.178710614243049
Energy: 1.2112142485593875
Energy: 1.2282862888289827
Energy: 1.178875895766159
Energy: 1.171945004940514
Energy: 1.2197340894864586
Energy: 1.1800473382361483
Energy: 1.1897609264637463
Energy: 1.2675474861137355
Energy: 1.179190472439089
Energy: 1.155532832921665
Energy: 1.3784181281716026
Energy: 1.163433783797025
Energy: 1.1724774715534954
Energy: 1.177908776582777
Energy: 1.273903807489715
Energy: 1.1651712662427076

minimum gb energy = 1.1463382089522993 eV
minimum distance =  2.27977635440641 Angstroms
sigma value = 81


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

Energy: 2.044265638480536
Energy: 2.1428128413393925
Energy: 1.1830808703594469
Energy: 1.1833525833431804
Energy: 2.010113503831413
Energy: 1.1831277677187741
Energy: 1.1689217723657332
Energy: 1.1548679479089834
Energy: 1.1565458420579289
Energy: 1.1638096828201925
Energy: 1.121497229103798
Energy: 1.1584070919045395
Energy: 1.2355592411489504
Energy: 1.1272353256645722
Energy: 1.1262562868362092
Energy: 1.2215071496533643
Energy: 1.128598794630624
Energy: 1.1814440680701352
Energy: 1.139234621723955
Energy: 1.1271807041132114
Energy: 1.1835158005563287
Energy: 1.1390208589104387
Energy: 1.1255636208397306
Energy: 1.1703511806461944
Energy: 1.172031110079526
Energy: 1.1523065201296077
Energy: 1.1524703777596454
Energy: 1.1801456021563175
Energy: 1.1520696002438777
Energy: 1.151845577864792
Energy: 1.143151405413582
Energy: 1.1512656853066339
Energy: 1.152338725932125
Energy: 1.1562158958524809
Energy: 1.153882375751647
Energy: 1.1849369551944986
Energy: 1.1231190443988914
Energy: 1.2017100364875128
Energy: 1.2014533698854537
Energy: 1.1123137238851226
Energy: 1.2028287919017413
Energy: 1.1541296006776287
Energy: 1.3056886586068714
Energy: 1.2082510930174681
Energy: 1.2088867320057934
Energy: 1.1202781461588618
Energy: 1.2745227251603835
Energy: 1.1890504579737728
Energy: 1.1577908463364253
Energy: 1.212175064561891
Energy: 1.1548676578837471
Energy: 1.109866534226516
Energy: 1.2107205563270778
Energy: 1.1565631101651968
Energy: 1.2255520671599802
Energy: 1.0850443923069577
Energy: 1.084253842277799
Energy: 1.22586118487133
Energy: 1.0858975217917763
Energy: 1.145607017688544
Energy: 1.1596403994133957
Energy: 1.0804928612589315
Energy: 1.08426254943409
Energy: 1.1561063034438677
Energy: 1.0799301972254163
Energy: 1.1576783277288218
Energy: 1.1335088322070115
Energy: 1.1514236786164351
Energy: 1.15163988950117
Energy: 1.1266756280623984
Energy: 1.1555763398121903
Energy: 1.1574878493190779
Energy: 1.1334704007579184
Energy: 1.1724092193874953
Energy: 1.1538528354671782
Energy: 1.1287243319245013
Energy: 1.1756835265973622
Energy: 1.1272089216794594
Energy: 1.161513826749507
Energy: 1.1868831966173066
Energy: 1.1523673599697364
Energy: 1.15657447286749
Energy: 1.1886452161238032
Energy: 1.1504240787538837
Energy: 1.2971895777639968
Energy: 1.154086901739229
Energy: 1.1829833159644443
Energy: 1.1507209300751275
Energy: 1.1850243720380136
Energy: 1.1838192270134662
Energy: 1.2958970884931271
Energy: 1.1486056045000332
Energy: 1.1546772530354057
Energy: 1.2032544232152627
Energy: 1.1551393248455684
Energy: 1.1551823397928218
Energy: 1.2961122459120709
Energy: 1.1552755068116602
Energy: 1.1536937451230835
Energy: 1.2968219486077452
Energy: 1.1560350103351487
Energy: 1.1884049310515343
Energy: 1.307547293719747
Energy: 1.1582792670467579
Energy: 1.1590434994244279
Energy: 1.2110483141045079
Energy: 1.1126164481178635
Energy: 1.155223631633128
Energy: 1.3421403987880118
Energy: 1.1463707143114026
Energy: 1.0832834733618646
Energy: 1.078369527718572
Energy: 1.1445076509230685
Energy: 1.0853329923843498
Energy: 1.3433342525838554
Energy: 1.146248658669133
Energy: 1.114660420257951
Energy: 1.0794437555896228
Energy: 1.1460859751298431
Energy: 1.0848119546410329
Energy: 1.1316752754519448
Energy: 1.1613530344825567
Energy: 1.1414206965346767
Energy: 1.120260197945548
Energy: 1.1127357821662993
Energy: 1.143086477659986
Energy: 1.1561166492656283
Energy: 1.1293393630009312
Energy: 1.1293817247721214
Energy: 1.1741971456043887
Energy: 1.1261199713445718
Energy: 1.1430535806351485
Energy: 1.1539303019389606
Energy: 1.1534467422998012
Energy: 1.1562700229603278
Energy: 1.1576141118088514
Energy: 1.1339253144793568
Energy: 1.1596935202580436
Energy: 1.187753047741388
Energy: 1.1851687482247755
Energy: 1.1843850951082695
Energy: 1.18296830218121
Energy: 1.1531669301495013
Energy: 1.1835443507725962
Energy: 1.186991246872683
Energy: 1.1542903501369075
Energy: 1.154395888094314
Energy: 1.1541613958299082
Energy: 1.20299756536153
Energy: 1.1485597493541435
Energy: 1.3049913719970063
Energy: 1.208510029230484
Energy: 1.2122995578951854
Energy: 1.1508025712981433
Energy: 1.2359809279360299
Energy: 1.2091057076302354
Energy: 1.3054101411581076
Energy: 1.2122860834699893
Energy: 1.2127834827350088
Energy: 1.131013914000938
Energy: 1.2211801779755231
Energy: 1.2140385193667593
Energy: 1.1546547273430106
Energy: 1.081180912659354
Energy: 1.1250751722239076
Energy: 1.1555165577129256
Energy: 1.133504901852005
Energy: 1.1286225819954605
Energy: 1.1288881703531628
Energy: 1.0847649922355664
Energy: 1.0824325565583501
Energy: 1.1707669146018824
Energy: 1.0834547842834499
Energy: 1.1141433295769854
Energy: 1.127843523239525
Energy: 1.153369099770053
Energy: 1.1539060620078345
Energy: 1.1101067859714375
Energy: 1.1462736515668677
Energy: 1.1408378713815532
Energy: 1.1343475685518156
Energy: 1.1680378767745268
Energy: 1.1807948928740355
Energy: 1.126975928081301
Energy: 1.1734462689589193
Energy: 1.128929410330882
Energy: 1.1268429548176153
Energy: 1.1451665250025673
Energy: 1.15532417285341
Energy: 1.1108096313882878
Energy: 1.144249101567968
Energy: 1.1520234290043032
Energy: 1.2790097600331714
Energy: 1.180101524802556
Energy: 1.1866980121111714
Energy: 1.1592693842210389
Energy: 1.1803685461577216
Energy: 1.1870275912549713
Energy: 1.278166827707219
Energy: 1.1467817430435958
Energy: 1.1551932733211157
Energy: 1.1559788358378613
Energy: 1.1885524043901206
Energy: 1.156216688957777
Energy: 1.2789397399738478
Energy: 1.1583527799517996
Energy: 1.1848667815079361
Energy: 1.2178645206927936
Energy: 1.099379499735069
Energy: 1.2321947677433978
Energy: 1.265978117104119
Energy: 1.1535021849330593
Energy: 1.1531341441041183
Energy: 1.2660953795856014
Energy: 1.1533665660418835
Energy: 1.237440602849917
Energy: 1.3456081111830311
Energy: 1.1558591437320722
Energy: 1.1562729981642492
Energy: 1.249082777841284
Energy: 1.1622010383389643
Energy: 1.1580053615565415
Energy: 1.3954117384194604
Energy: 2.209259384151991
Energy: 1.1833793280873568
Energy: 1.1611238582302912
Energy: 2.01701932419421
Energy: 1.1347417285257981

minimum gb energy = 1.078369527718572 eV
minimum distance =  2.25505875893289 Angstroms
sigma value = 43


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

Energy: 1.9953961307163013
Energy: 3.305266587932283
Energy: 1.2235526333478868
Energy: 1.1706416058676115
Energy: 2.3055076000968855
Energy: 1.1693200314774623
Energy: 1.1675034251902745
Energy: 1.1499927244813013
Energy: 1.138366758461524
Energy: 1.178041897230882
Energy: 1.1379243757941242
Energy: 1.1537630930922231
Energy: 1.143947263709771
Energy: 1.1392552195601604
Energy: 1.1390118372550393
Energy: 1.2575901066952766
Energy: 1.1391875498645767
Energy: 1.1682405669272675
Energy: 1.1427493603157468
Energy: 1.1386404759769535
Energy: 1.1678972861282448
Energy: 1.1428917444227231
Energy: 1.1389780859758423
Energy: 1.1439991508799154
Energy: 1.125359909803745
Energy: 1.1407677199319621
Energy: 1.1400206669188853
Energy: 1.1331908874724856
Energy: 1.1409155666546773
Energy: 1.1395256582437818
Energy: 1.1246947687309583
Energy: 1.1407420378512925
Energy: 1.140862147921736
Energy: 1.1406810644092613
Energy: 1.1406996787569503
Energy: 1.1410769058266486
Energy: 1.1176304835875683
Energy: 1.1251951450045254
Energy: 1.1324219817522592
Energy: 1.126674334675355
Energy: 1.1262135084615879
Energy: 1.1355521938392812
Energy: 1.1638300949780735
Energy: 1.1452641255036708
Energy: 1.1947014169014896
Energy: 1.1219777857891489
Energy: 1.1454909625880882
Energy: 1.1443550985971909
Energy: 1.117750739497704
Energy: 1.1442460468949074
Energy: 1.1434888561957777
Energy: 1.1389216690962107
Energy: 1.1430493487315792
Energy: 1.1450713377372426
Energy: 1.3473002488259636
Energy: 1.1415165639623153
Energy: 1.1924785793831585
Energy: 1.18686162306851
Energy: 1.1408912645615508
Energy: 1.17859415876062
Energy: 1.1101771729976473
Energy: 1.162433639021195
Energy: 1.1619791818078558
Energy: 1.1369389700293393
Energy: 1.1980105017229614
Energy: 1.152346448286535
Energy: 1.2518071223178895
Energy: 1.1440186965666252
Energy: 1.1674533590690586
Energy: 1.1383402290689988
Energy: 1.1440707950972344
Energy: 1.1674519125575493
Energy: 1.3357547252966884
Energy: 1.1427606467221825
Energy: 1.1431491014510504
Energy: 1.1390066773417282
Energy: 1.1888205572926345
Energy: 1.1448671513460387
Energy: 1.1104670393576273
Energy: 1.1513901082523508
Energy: 1.1512940123882949
Energy: 1.1437964157483942
Energy: 1.1270740316553174
Energy: 1.1517809643529278
Energy: 1.1095379340015956
Energy: 1.1321952986163555
Energy: 1.1538641649835164
Energy: 1.1540135568833956
Energy: 1.1303589170436432
Energy: 1.1333885578244787
Energy: 1.1054599120700184
Energy: 1.1400403276704987
Energy: 1.121129996414066
Energy: 1.1051142016805757
Energy: 1.1391229317003744
Energy: 1.125900077152168
Energy: 1.1280807144502913
Energy: 1.1309352891866886
Energy: 1.1303028264822064
Energy: 1.1279226408259537
Energy: 1.1305074749160056
Energy: 1.1298561675562224
Energy: 1.128342740391893
Energy: 1.127202241689384
Energy: 1.1548836417888741
Energy: 1.1435830397195548
Energy: 1.1432139187573287
Energy: 1.153957003368776
Energy: 1.1181321526410934
Energy: 1.129427506459075
Energy: 1.1282028267245252
Energy: 1.1417333292786709
Energy: 1.200185764583439
Energy: 1.1673875115115397
Energy: 1.3990687883099704
Energy: 1.1276962831144548
Energy: 1.1284651679404605
Energy: 1.14140296336994
Energy: 1.1872509914801503
Energy: 1.167277314572556
Energy: 1.1287730398620288
Energy: 1.1578488905022168
Energy: 1.1276201791747829
Energy: 1.1430486952880305
Energy: 1.112142230874446
Energy: 1.1274947414733625
Energy: 1.260184399390064
Energy: 1.145173484992711
Energy: 1.1460416998240885
Energy: 1.259991476672772
Energy: 1.1043965823630038
Energy: 1.2271624484387473
Energy: 1.1464490237151712
Energy: 1.1286337752758815
Energy: 1.1283758660951584
Energy: 1.1093179976649448
Energy: 1.1299156182285135
Energy: 1.157762663493035
Energy: 1.2239872930417595
Energy: 1.130667248302672
Energy: 1.131181920440994
Energy: 1.1170155864517721
Energy: 1.251007718117435
Energy: 1.1572677491085648
Energy: 1.2289958687363194
Energy: 1.1257614487220107
Energy: 1.12869706031197
Energy: 1.1549998639578347
Energy: 1.125154300219897
Energy: 1.1556110371258972
Energy: 1.1915685749692366
Energy: 1.1304754670634978
Energy: 1.1520896638364782
Energy: 1.1501518796575843
Energy: 1.1097342612339332
Energy: 1.153192336591277
Energy: 1.1906507065881073
Energy: 1.1350585166756053
Energy: 1.1510573822100025
Energy: 1.1517519199379436
Energy: 1.1367431930333305
Energy: 1.1515775509021984
Energy: 1.17548943229604
Energy: 1.1511325244130912
Energy: 1.1514637028542922
Energy: 1.1429245620024704
Energy: 1.137810088401395
Energy: 1.1351890783185243
Energy: 1.1735955403401939
Energy: 1.1431684140836815
Energy: 1.1431078234525613
Energy: 1.1628312046423426
Energy: 1.1056476928631962
Energy: 1.1429899665760108
Energy: 1.1442748179971232
Energy: 1.1359756030374537
Energy: 1.1531781710516964
Energy: 1.1683174887009355
Energy: 1.137834689702169
Energy: 1.1248580861399962
Energy: 1.1040996001622045
Energy: 3.419255362926179
Energy: 1.1336341891218975
Energy: 1.149353735480419
Energy: 2.24822064132431
Energy: 1.1338395873683018

minimum gb energy = 1.1040996001622045 eV
minimum distance =  2.2710742692031 Angstroms
sigma value = 57


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

Energy: 1.3029403653677671
Energy: 2.108353841700265
Energy: 1.1545973050504572
Energy: 1.041221276230127
Energy: 2.034459071927897
Energy: 1.1547842689455081
Energy: 1.2061825967974176
Energy: 1.1538069339533183
Energy: 1.1166491105543814
Energy: 1.1188509275513
Energy: 1.1517548975861285
Energy: 1.123536835379461
Energy: 1.1170028904005602
Energy: 1.0819170366108426
Energy: 1.083458112006618
Energy: 1.1406970134144825
Energy: 1.0812782728181467
Energy: 1.1155175022527557
Energy: 1.1023814089203117
Energy: 1.1104305843299989
Energy: 1.113088019518264
Energy: 1.1032692559711497
Energy: 1.1119079983833196
Energy: 1.097298822541865
Energy: 1.1109982375220817
Energy: 1.1184863673206944
Energy: 1.1184712900734135
Energy: 1.094033479255275
Energy: 1.11793548521897
Energy: 1.1175993376769933
Energy: 1.0359564050127554
Energy: 1.1169373859886962
Energy: 1.123193304373815
Energy: 1.1220395686680675
Energy: 1.1167642020200421
Energy: 1.1173341564581487
Energy: 1.1177785912748306
Energy: 1.1033209497619871
Energy: 1.1027177707985107
Energy: 1.0968350130528868
Energy: 1.104292484931152
Energy: 1.1166925996537347
Energy: 1.1126876403506683
Energy: 1.1396875649015008
Energy: 1.1446306055879696
Energy: 1.0983514671799601
Energy: 1.1385833128268144
Energy: 1.1444890615611636
Energy: 1.1169426446250548
Energy: 1.1673820385540803
Energy: 1.1602974201707745
Energy: 1.1175946451030097
Energy: 1.1625576393789787
Energy: 1.1386072919972807
Energy: 1.3229795158380726
Energy: 1.1361258596512929
Energy: 1.1361952936757342
Energy: 1.2278004363581299
Energy: 1.1362857493778717
Energy: 1.1195240315137074
Energy: 1.1132931047499892
Energy: 1.135688826486564
Energy: 1.1641598875128831
Energy: 1.1639230024585512
Energy: 1.1181204664406577
Energy: 1.1589524889201255
Energy: 1.0364869823025498
Energy: 1.1594840453602884
Energy: 1.1583254196734518
Energy: 1.0797490010581996
Energy: 1.159815870179217
Energy: 1.1905628942019797
Energy: 1.0358954526173834
Energy: 1.799784604060392
Energy: 1.1796926883770704
Energy: 1.1911591119011251
Energy: 1.1596801305506652
Energy: 1.1935548009688748
Energy: 1.2067680420090252
Energy: 1.1240939484122354
Energy: 1.1234293534140378
Energy: 1.1527546949902279
Energy: 1.154444910940164
Energy: 1.117706294911022
Energy: 1.1148363131687116
Energy: 1.0366437844631156
Energy: 1.0377955858843169
Energy: 1.1457847832157573
Energy: 1.0364472872275619
Energy: 1.0366467220646463
Energy: 1.103765175967598
Energy: 1.116004989532356
Energy: 1.0913257077568854
Energy: 1.105091025933567
Energy: 1.1142401794440313
Energy: 1.093568714578709
Energy: 1.118369461381322
Energy: 1.1175913741729369
Energy: 1.1166540533927316
Energy: 1.0966812144274278
Energy: 1.1173287405296037
Energy: 1.1162765954599287
Energy: 1.1120836867973904
Energy: 1.1178972604512831
Energy: 1.1174732446890583
Energy: 1.118465255759976
Energy: 1.0934211111623446
Energy: 1.1172641495046385
Energy: 1.117916705621082
Energy: 1.1585039288329597
Energy: 1.1591792707642725
Energy: 1.1139833754075643
Energy: 1.116831088878247
Energy: 1.1586297993533567
Energy: 1.1179348363189667
Energy: 1.1610564230633664
Energy: 1.1549833597622938
Energy: 1.1415471838477247
Energy: 1.1588267094298559
Energy: 1.1616375361222235
Energy: 1.1178235202213183
Energy: 1.166704713148752
Energy: 1.1361562331697241
Energy: 1.118267042465731
Energy: 1.1631474594174136
Energy: 1.123401063732044
Energy: 1.3065196627173377
Energy: 1.0992409061648072
Energy: 1.1352948648124457
Energy: 1.2253168415653197
Energy: 1.0983881513772695
Energy: 1.097961255932542
Energy: 1.2075795792242823
Energy: 1.1651261552228231
Energy: 1.1646993408280895
Energy: 1.11788223219666
Energy: 1.163574574739182
Energy: 1.1234808875393973
Energy: 1.035971872787069
Energy: 2.161424388232109
Energy: 1.1791991001412214
Energy: 1.1910852532919871
Energy: 1.1415998491514978
Energy: 1.195318077743931

minimum gb energy = 1.0358954526173834 eV
minimum distance =  2.32656263442743 Angstroms
sigma value = 17


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

Energy: 1.275705455695502
Energy: 1.989401944665427
Energy: 1.2459712587161995
Energy: 1.0515688655988098
Energy: 2.1949650807447814
Energy: 1.0503460279331032
Energy: 1.1982976189919252
Energy: 1.1483534037831131
Energy: 1.0903618717147958
Energy: 1.148015399110389
Energy: 1.1333557908050451
Energy: 1.089879189495049
Energy: 1.117954121568659
Energy: 1.0816041580750784
Energy: 1.0836918930007688
Energy: 1.1040363277272984
Energy: 1.0807104768238773
Energy: 1.0279445806362575
Energy: 1.1205391661030153
Energy: 1.0809944058805916
Energy: 1.0457485374336775
Energy: 1.1225471206347115
Energy: 1.055613074696572
Energy: 1.1048569815029505
Energy: 0.9845292743977067
Energy: 1.0506157172121335
Energy: 1.0492903923796393
Energy: 0.9855304947111255
Energy: 1.0429334554100067
Energy: 1.0487996331932858
Energy: 1.0005161857072196
Energy: 1.0503490460227936
Energy: 1.0479204932753683
Energy: 1.0168183590669302
Energy: 0.9719015884047509
Energy: 1.0155784404620078
Energy: 0.9849349781945985
Energy: 0.9706337364421673
Energy: 1.001011563304997
Energy: 1.0180864352374908
Energy: 0.971154916947247
Energy: 0.9979497573263679
Energy: 0.9725381988495873
Energy: 1.0227628242648854
Energy: 1.020413716217471
Energy: 1.0229229255570942
Energy: 1.0219459634624017
Energy: 1.0397283113105538
Energy: 0.9743357497859413
Energy: 1.0212142710125214
Energy: 1.020156585201679
Energy: 0.9710526312831127
Energy: 1.0206083139766773
Energy: 0.9976864927337643
Energy: 0.9721001366045646
Energy: 1.048743518478507
Energy: 1.0484555540387333
Energy: 0.9713224148655825
Energy: 1.0488253456397671
Energy: 1.0180740407703037
Energy: 0.9716434798756769
Energy: 1.0484151886729731
Energy: 1.0489531677004384
Energy: 1.0167880660331121
Energy: 1.0676509795481817
Energy: 1.0502121769455601
Energy: 1.103137557751119
Energy: 1.1041290372093198
Energy: 1.1040922586958526
Energy: 1.05073684656656
Energy: 1.1038059037469916
Energy: 1.1043404246093949
Energy: 1.102232070496267
Energy: 1.1360890797857714
Energy: 1.1357384520073357
Energy: 1.0168328892386291
Energy: 1.1341041380014694
Energy: 1.135726819396904
Energy: 1.1203461277188236
Energy: 1.1470792664466216
Energy: 1.145106357368564
Energy: 1.1072035134169167
Energy: 1.1059389211105433
Energy: 1.0909261982854253
Energy: 1.1996816834092296
Energy: 1.1309832318995876
Energy: 1.130485220722254
Energy: 1.1440889702608472
Energy: 1.1305374600561149
Energy: 1.177678815696505
Energy: 1.1926582304715336
Energy: 1.1643234516253078
Energy: 1.0959344427190316
Energy: 1.1058522729565619
Energy: 1.162717900471164
Energy: 1.146973708030122
Energy: 1.0892105086454884
Energy: 1.146094660136585
Energy: 1.2059202482622582
Energy: 1.0009413854055826
Energy: 1.133496780179049
Energy: 1.2056558546442155

minimum gb energy = 0.9706337364421673 eV
minimum distance =  2.29173631238977 Angstroms
sigma value = 17


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

Energy: 0.8979090110174864
Energy: 2.107481775686452
Energy: 1.0219305215123216
Energy: 1.021142253202812
Energy: 1.9952331426004466
Energy: 1.0216018203894754
Energy: 1.2088893547505537
Energy: 1.1027486892564407
Energy: 0.99198878174693
Energy: 1.0797580277880565
Energy: 1.080418119769163
Energy: 1.0320581038867214
Energy: 1.3004836788557486
Energy: 0.9573470669890731
Energy: 1.0068024406101344
Energy: 1.0801186917955616
Energy: 0.9573729652001187
Energy: 0.9844460208210516
Energy: 1.083777479889508
Energy: 1.006174282880306
Energy: 1.0072464259544036
Energy: 1.0833036062819323
Energy: 0.9590780119994096
Energy: 0.9846914396089559
Energy: 0.9525883181028013
Energy: 0.9762950430222773
Energy: 0.993408585160816
Energy: 0.953361847999271
Energy: 0.9734498339773815
Energy: 0.9947590563539924
Energy: 0.8654039060737375
Energy: 0.9380843584795773
Energy: 0.9541733438987762
Energy: 0.957002679858594
Energy: 0.9391077295624086
Energy: 0.9550434510161718
Energy: 0.8775807568225891
Energy: 0.9389962224903228
Energy: 0.9398372107449114
Energy: 0.9129037871717931
Energy: 0.9421881447373316
Energy: 0.9430481878711822
Energy: 0.8771567823483113
Energy: 0.9327497531322656
Energy: 0.9445208434917436
Energy: 0.9579427501198412
Energy: 0.9326780361228086
Energy: 0.9447653851651955
Energy: 0.8789762155653181
Energy: 0.9430274248067729
Energy: 0.9178570442321073
Energy: 0.8805289743282988
Energy: 0.9130971512850056
Energy: 0.8783196305301386
Energy: 0.8779865902076226
Energy: 0.9371599355231056
Energy: 0.938287168963422
Energy: 0.8776104876094849
Energy: 0.9359413726088182
Energy: 0.9381643725969163
Energy: 0.891528379228222
Energy: 0.9195434752744442
Energy: 0.9364835747845374
Energy: 0.9360357805103764
Energy: 0.8773469240285902
Energy: 0.9362853368849355
Energy: 0.8803519950886743
Energy: 0.8785588524971311
Energy: 0.8780351264970546
Energy: 0.8814437318660182
Energy: 0.8840895563231966
Energy: 0.919187111481532
Energy: 0.8776329093064474
Energy: 0.9463461788178632
Energy: 0.9449417076358713
Energy: 0.9439074746366716
Energy: 0.922627272189652
Energy: 0.9435209353789563
Energy: 0.9402176724506224
Energy: 0.9522788247878706
Energy: 0.9507841459580715
Energy: 0.9394468779646113
Energy: 0.9456446955082253
Energy: 0.9380878841357175
Energy: 0.939144365743128
Energy: 0.9473298985007135
Energy: 0.9460650415396265
Energy: 0.938570515531087
Energy: 0.9478596245102734
Energy: 1.002400919938282
Energy: 0.9430055180579558
Energy: 0.9931259673026781
Energy: 0.9915646317282363
Energy: 0.9736136963687595
Energy: 0.98898653919605
Energy: 0.9748582761703664
Energy: 0.878942943512121
Energy: 1.0807161534488918
Energy: 1.0804737919728167
Energy: 0.9151466069536592
Energy: 1.080158042809563
Energy: 0.9378167639259982
Energy: 0.8806445175037233
Energy: 1.0921835001340479
Energy: 1.0897467026513938
Energy: 0.9770495441291911
Energy: 1.0806863969753495
Energy: 0.9741385934325841
Energy: 1.0967726697481075
Energy: 1.0798970959645666
Energy: 1.0303916441314862
Energy: 1.0809184139764454
Energy: 0.9876819340050742
Energy: 1.0401797514258835
Energy: 1.2378621370211118
Energy: 0.9765145059295872
Energy: 0.9784287233453332
Energy: 1.114896714999526
Energy: 0.9761725550503284
Energy: 1.1185593852824718
Energy: 1.212240852277167
Energy: 1.0588350870692442
Energy: 1.1049144505711224
Energy: 1.0829073668632216
Energy: 1.0806217759384433
Energy: 1.0286404096385267
Energy: 0.8916732614460602
Energy: 2.189586630994604
Energy: 1.1730982721137326
Energy: 0.9858139134985323
Energy: 1.1074437017499146
Energy: 0.9858011522919365
Energy: 0.896322358924294
Energy: 1.1033980046325433
Energy: 1.1046635229847555
Energy: 0.9295599519691199
Energy: 1.1033073674173905
Energy: 1.153266058991865
Energy: 1.3251507001277767
Energy: 1.0087537206781765
Energy: 1.9472605981831004
Energy: 1.0818868805065327
Energy: 0.9549328247516138
Energy: 1.0585752708516332
Energy: 1.0806501022711754
Energy: 0.958925441355623
Energy: 1.0072623499687474
Energy: 1.0809211279807878
Energy: 0.9597887393011251
Energy: 0.9868134759312338
Energy: 0.9559727384757757
Energy: 0.9780244079746079
Energy: 0.9918426725199544
Energy: 0.955744623706326
Energy: 0.9758112456385543
Energy: 0.9954158754121372
Energy: 0.8641550086014425
Energy: 0.9831354394613433
Energy: 0.9831261510026199
Energy: 0.9564852081178911
Energy: 0.9994121616227621
Energy: 0.9549536971103973
Energy: 0.8616492937672685
Energy: 0.9392067797018255
Energy: 0.9387874074363862
Energy: 0.8621077663995869
Energy: 0.9411330306589726
Energy: 0.9386510615418522
Energy: 0.8773978679276055
Energy: 0.9454648886838243
Energy: 0.9462737860393139
Energy: 0.9544506216832965
Energy: 0.9400930415389419
Energy: 0.9453130037445642
Energy: 0.8787606678286802
Energy: 0.9322720430074253
Energy: 0.9436288281265001
Energy: 0.8784002820330061
Energy: 0.9323416430839083
Energy: 0.943301807873366
Energy: 0.8838174421574311
Energy: 0.9393753316790572
Energy: 0.9383933827903089
Energy: 0.8852366405777473
Energy: 0.9363495833296609
Energy: 0.9154111484387485
Energy: 0.8907921531302224
Energy: 0.9402608803783704
Energy: 0.9398664592745466
Energy: 0.9470527478469013
Energy: 0.9369328777846869
Energy: 0.9403502286230524
Energy: 0.9736197808119509
Energy: 0.877819694163225
Energy: 0.878299701756772
Energy: 0.9736901605789823
Energy: 0.8793586001929619
Energy: 0.8780696808642445
Energy: 0.9753333965848521
Energy: 0.9429122114935513
Energy: 0.9587960757859971
Energy: 0.9517822252487774
Energy: 0.9198354670839103
Energy: 0.9486797917536305
Energy: 0.9471469674253853
Energy: 0.9478088211889243
Energy: 0.9476584964405013
Energy: 0.9385135441071416
Energy: 0.9494078072318124
Energy: 0.9491178372432642
Energy: 0.9393210682969784
Energy: 0.945260966747981
Energy: 0.9833232286420627
Energy: 0.9394861511423843
Energy: 0.9453484608200907
Energy: 0.9748252992566009
Energy: 0.9392298814586526
Energy: 0.9906826354550247
Energy: 0.9915291144157309
Energy: 0.9784961778376255
Energy: 1.0088189762242468
Energy: 0.9766162445920461
Energy: 0.8761403969654096
Energy: 1.079565821126555
Energy: 1.0800805057915117
Energy: 0.9699451271920632
Energy: 1.0829306151525193
Energy: 0.9779411118718567
Energy: 0.8788352102286353
Energy: 1.0919003542480772
Energy: 0.9755655072295053
Energy: 0.9743519521915747
Energy: 1.100466591674625
Energy: 0.9763748320837694
Energy: 0.938694462840108
Energy: 1.0713017146599415
Energy: 1.0772591081438976
Energy: 0.9553021175365847
Energy: 1.0843472124531732
Energy: 1.0291684144735995
Energy: 1.1136758207370305
Energy: 0.9798538228937508
Energy: 1.0790430516564125
Energy: 1.107065930951566
Energy: 0.9758211022318602
Energy: 1.0798210025306234
Energy: 1.3168359321855405
Energy: 1.0296545771241306
Energy: 1.0914908164790966
Energy: 1.0826958503481137
Energy: 1.0093272581381014
Energy: 1.886710109035129
Energy: 0.8981371326403873
Energy: 1.1062517510657157
Energy: 1.0905716988595293
Energy: 0.9297450178368103
Energy: 1.1112392431725984
Energy: 1.1524933720207886

minimum gb energy = 0.8616492937672685 eV
minimum distance =  2.27473996155359 Angstroms
sigma value = 57


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

Energy: 1.0015875091433326
Energy: 1.993509906925735
Energy: 0.993336746957779
Energy: 0.969935895509839
Energy: 2.201623376483997
Energy: 1.0345003361789042
Energy: 1.0746719429637874
Energy: 0.9511208292107494
Energy: 0.9424615157137016
Energy: 1.0417897926570752
Energy: 1.04961594632199
Energy: 0.9891838288705427
Energy: 1.2295802187813
Energy: 0.9060426689548859
Energy: 0.9107013121041432
Energy: 1.0497928954401377
Energy: 0.9062877362042749
Energy: 0.9625472316016984
Energy: 1.0459512881280617
Energy: 0.9056806075860474
Energy: 0.9751044318378859
Energy: 1.04706917987428
Energy: 0.9036322438246663
Energy: 0.9602890270280514
Energy: 0.9009149132704811
Energy: 0.9355999068835227
Energy: 0.9438046438942922
Energy: 0.9015965770522408
Energy: 0.9146258556152993
Energy: 0.9431587604957
Energy: 0.8004779980153287
Energy: 0.9118066293599434
Energy: 0.9047576605896798
Energy: 0.8748232306924398
Energy: 0.912149225198644
Energy: 0.90497031831596
Energy: 0.8398038208343842
Energy: 0.9131968368953391
Energy: 0.9169703492310267
Energy: 0.9038439320131778
Energy: 0.9179207864536415
Energy: 0.9000283940611872
Energy: 0.8417663344205477
Energy: 0.8707612444660577
Energy: 0.8705911729734521
Energy: 0.8792388348157736
Energy: 0.8704912048851619
Energy: 0.8875744958463136
Energy: 0.8438784675515177
Energy: 0.8870977587715861
Energy: 0.840317727830877
Energy: 0.844713254593305
Energy: 0.8477538534886392
Energy: 0.8401091349503532
Energy: 0.8397730023839001
Energy: 0.8930623307438946
Energy: 0.8753395672555526
Energy: 0.8401506398748408
Energy: 0.8909293451885737
Energy: 0.8765854055539184
Energy: 0.8155856644940186
Energy: 0.8075855162232091
Energy: 0.8752045650620195
Energy: 0.8660355252621809
Energy: 0.8083474215259348
Energy: 0.8661653870443053
Energy: 0.903875986537649
Energy: 0.8172274535960977
Energy: 0.8078693529628284
Energy: 0.9059269626198782
Energy: 0.8151914394554138
Energy: 0.8465313350547136
Energy: 0.8070716591896349
Energy: 0.9095796121337194
Energy: 0.9062176048119265
Energy: 0.8679218505163847
Energy: 0.9076395720519321
Energy: 0.8876449606096385
Energy: 0.8088325137939512
Energy: 0.8679755405647814
Energy: 0.8069706999630535
Energy: 0.8109686626984264
Energy: 0.8917541917176202
Energy: 0.8077683094294255
Energy: 0.8081831365877672
Energy: 0.8702580143470211
Energy: 0.8689708743312892
Energy: 0.807624937063632
Energy: 0.895416966833699
Energy: 0.8666648434557636
Energy: 0.9131008692798162
Energy: 0.8395756645866218
Energy: 0.8742349461756403
Energy: 0.8735685209045049
Energy: 0.8400378413333955
Energy: 0.8723263905646386
Energy: 0.8103616831564393
Energy: 0.840417307335879
Energy: 0.8401367607560415
Energy: 0.8716549809690869
Energy: 0.8491951123069117
Energy: 0.8972374758301359
Energy: 0.8110372889191231
Energy: 0.8801220841256079
Energy: 0.8966993804292543
Energy: 0.8566864051835642
Energy: 0.877289814130002
Energy: 0.8997405975705763
Energy: 0.9123492641357985
Energy: 0.9018597260450114
Energy: 0.9039300997259718
Energy: 0.9139042245550727
Energy: 0.889112331765653
Energy: 0.9122339693600562
Energy: 0.91064077910009
Energy: 0.8914726422481989
Energy: 0.8919476005700636
Energy: 0.9110465075460554
Energy: 0.8921803130186045
Energy: 0.9448360942709224
Energy: 1.0508125510477144
Energy: 0.9400719967515418
Energy: 0.9417094207512382
Energy: 0.935108922228736
Energy: 0.9380568928170832
Energy: 0.9579074904225496
Energy: 0.8086135291087535
Energy: 1.0425322667268337
Energy: 0.9117786776878557
Energy: 0.890841941084053
Energy: 1.0422544387812556
Energy: 0.9505017272892607
Energy: 0.8455286861710027
Energy: 1.0674596328388541
Energy: 1.023638240582072
Energy: 0.8467786097697305
Energy: 1.0469956157680993
Energy: 1.0091455227602568
Energy: 1.1537431677403513
Energy: 0.9355229165829102
Energy: 0.9451050914168756
Energy: 1.0333300644862127
Energy: 0.9496505125791331
Energy: 0.9579670556561535
Energy: 1.2334394885919473
Energy: 0.9345924990956284
Energy: 0.9344621341985025
Energy: 1.0420098310500916
Energy: 0.9342179560539985
Energy: 1.0618694209901
Energy: 1.244930088223504
Energy: 1.0396904866544396
Energy: 1.0524107506041083
Energy: 1.0484077932040545
Energy: 1.0213046303527893
Energy: 0.9986624034433363
Energy: 0.8151699890300524
Energy: 2.7915479809248485
Energy: 0.9603114367113451
Energy: 0.8650289507326486
Energy: 1.8713744225727096
Energy: 0.9607666057243311

minimum gb energy = 0.8004779980153287 eV
minimum distance =  2.2757197641063 Angstroms
sigma value = 43


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

Energy: 0.710160056953922
Energy: 2.135031519775744
Energy: 0.9269999397731373
Energy: 0.8344361727882239
Energy: 2.1490936076253107
Energy: 0.8700315175151883
Energy: 2.2655750230488545
Energy: 0.8305268174561649
Energy: 0.8156614536637797
Energy: 0.8263225278182175
Energy: 0.8258274532192078
Energy: 0.8134671045774662
Energy: 1.066499287417547
Energy: 0.7682032136998472
Energy: 0.7966111962857283
Energy: 0.9235001285671286
Energy: 0.7678593385223624
Energy: 0.7966175973330795
Energy: 0.9239625648919377
Energy: 0.7972304375082842
Energy: 0.7970912751824399
Energy: 0.827666259664179
Energy: 0.7864317686435524
Energy: 0.8523427648993116
Energy: 0.7333909234995712
Energy: 0.8127172526314869
Energy: 0.8151631360024002
Energy: 0.7336993483381911
Energy: 0.8250615456417267
Energy: 0.813143780722707
Energy: 0.8524076050463121
Energy: 1.6587186627966566
Energy: 0.7896558118298189
Energy: 0.7476336269424875
Energy: 0.8209940984207863
Energy: 0.7637863981311361
Energy: 1.0030325899313426
Energy: 0.8218805076873699
Energy: 0.864985798945192
Energy: 0.773000697269257
Energy: 0.8218175649891034
Energy: 0.771948676670984
Energy: 0.973958775670393
Energy: 0.7448058395306979
Energy: 0.7571632243715956
Energy: 0.7722313849794294
Energy: 0.7423861622581901
Energy: 0.7569134577211907
Energy: 0.7613178449332016
Energy: 0.7561960176844948
Energy: 0.7589879486962506
Energy: 0.7636378151749045
Energy: 0.7030444335190351
Energy: 0.7579773964632971
Energy: 0.8010185131054854
Energy: 0.7478092887465192
Energy: 0.7484185080070428
Energy: 0.8042815066591178
Energy: 0.7472670631484004
Energy: 0.7481728206171823
Energy: 0.6825718306331221
Energy: 0.7184457439083031
Energy: 0.7479172207658906
Energy: 0.7632611612889518
Energy: 0.7183399487577254
Energy: 0.7405329970624931
Energy: 0.7578591676931864
Energy: 0.7185905327519517
Energy: 0.7196969992114091
Energy: 0.7509070451985361
Energy: 0.7194370505561889
Energy: 0.7523030956375443
Energy: 0.6962520154223069
Energy: 0.7601308881563696
Energy: 0.7691933476414498
Energy: 0.7644233797178185
Energy: 0.7593288430753486
Energy: 0.7703697962877116
Energy: 0.6959368803032515
Energy: 0.7357817210859358
Energy: 0.6952824938436044
Energy: 0.6979912252971952
Energy: 0.8168090472730731
Energy: 0.6955887246870589
Energy: 0.6953001084019353
Energy: 0.7315115010542362
Energy: 0.7305100530000752
Energy: 0.6952794643690852
Energy: 0.7317008709727629
Energy: 0.7370668105883132
Energy: 0.6890512944279266
Energy: 0.684729461297565
Energy: 0.6849006936772057
Energy: 0.7315052485826854
Energy: 0.6849639170012736
Energy: 0.743964907386499
Energy: 0.6995931664575845
Energy: 0.6849311022078325
Energy: 0.6845965171670146
Energy: 0.7402009581018992
Energy: 0.6848762713268313
Energy: 0.734336304920331
Energy: 0.6839712149746939
Energy: 0.7560869076755871
Energy: 0.7556376308179498
Energy: 0.6847131164942509
Energy: 0.753563475156322
Energy: 0.7440834001833864
Energy: 0.6849426184789108
Energy: 0.7775149819780299
Energy: 0.684748846260083
Energy: 0.6862790392330923
Energy: 0.8105125715788462
Energy: 0.6849268553200936
Energy: 0.6842138285726544
Energy: 0.7565632206289802
Energy: 0.7605482892468186
Energy: 0.6846826343607495
Energy: 0.7569968590472576
Energy: 0.7583149556149641
Energy: 0.7233964983201335
Energy: 0.6956894867334579
Energy: 0.6953715742750555
Energy: 0.7418306891069899
Energy: 0.6958530242339235
Energy: 0.7423778446313856
Energy: 0.6900999572823082
Energy: 0.6955360430749292
Energy: 0.6958531168003671
Energy: 0.734472168207482
Energy: 0.6955531907327006
Energy: 0.7347626372458612
Energy: 0.7185131484186681
Energy: 0.7365883287645089
Energy: 0.7362572254270096
Energy: 0.7195381320510149
Energy: 0.7255964024574175
Energy: 0.7366941899309167
Energy: 0.7191914817677976
Energy: 0.7565368739918962
Energy: 0.7184928851742091
Energy: 0.7215772966238142
Energy: 0.7645220431364881
Energy: 0.7186043379751011
Energy: 0.9456813052877434
Energy: 0.7531980680108609
Energy: 0.7681627519943375
Energy: 0.7471225730675644
Energy: 0.7529163076129526
Energy: 0.7685655626427861
Energy: 0.8265074096757618
Energy: 0.7578940648095313
Energy: 0.7595127743124228
Energy: 0.7576748994950159
Energy: 0.758214198266746
Energy: 0.7589057933822317
Energy: 0.685617144802148
Energy: 0.7579567560674678
Energy: 0.7715556735626748
Energy: 0.7571049595696764
Energy: 0.7577195930512496
Energy: 0.7509114998684008
Energy: 0.7195170454285523
Energy: 0.7731838873290028
Energy: 0.7743507254815158
Energy: 0.7182735479949752
Energy: 0.7726083156460334
Energy: 0.7716972396068879
Energy: 0.8244385779436103
Energy: 0.7756114773317933
Energy: 0.8217222424105675
Energy: 0.8264731614444965
Energy: 0.7182800636398107
Energy: 0.8211988365144817
Energy: 1.0093452519618777
Energy: 0.757209950028945
Energy: 0.7764896625836525
Energy: 0.8217696808900273
Energy: 0.7566715534899766
Energy: 0.7762774770279541
Energy: 1.0353120456514744
Energy: 0.8263301180712241
Energy: 0.8669326633770293
Energy: 0.8394807407564349
Energy: 0.8261202975494059
Energy: 0.8152666014006591
Energy: 0.8617622535667714
Energy: 1.8004890339680724
Energy: 0.8151998936854236
Energy: 0.7650966722476128
Energy: 0.9233253688774952
Energy: 0.795398563495489
Energy: 0.7579616077452644
Energy: 0.8610738921015862
Energy: 0.8639836261893281
Energy: 0.7845898937005602
Energy: 0.8826060942989848
Energy: 0.8621575402498823
Energy: 1.0078702371667045
Energy: 0.8281885299649101
Energy: 0.8214893877441578
Energy: 0.8276461382744877
Energy: 0.8265839956886212
Energy: 0.8724630123724082
Energy: 1.0662891161497206
Energy: 0.8022571169021461
Energy: 0.8399557554750389
Energy: 0.9235590169939623
Energy: 0.8011198244548265
Energy: 0.8325255610054312
Energy: 1.9339534637016722
Energy: 0.8601420753851039
Energy: 0.8625388666447029
Energy: 0.8262465320167014
Energy: 0.8823999436851407
Energy: 0.8142010380760659

minimum gb energy = 0.6825718306331221 eV
minimum distance =  2.32896195868843 Angstroms
sigma value = 81


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

Energy: 0.08677923665958796
Energy: 2.2153447358622964
Energy: 0.0877388903636987
Energy: 0.08963676859417284
Energy: 2.1902681602696563
Energy: 0.08751672977006561
Energy: 2.4286849813958797
Energy: 0.08820415816061696
Energy: 2.3176073114908364
Energy: 2.5888092755904006
Energy: 0.08859180582691284
Energy: 2.3917877398128793
Energy: 0.13793614430214757
Energy: 0.08742426403266206
Energy: 0.08735174109232421
Energy: 2.447951438420012
Energy: 0.08726713764552953
Energy: 0.13715659727840132
Energy: 0.09169184096924875
Energy: 0.08741735282541524
Energy: 0.08750324430097897
Energy: 2.085515269479684
Energy: 0.08728862736011851
Energy: 0.1378407228289696
Energy: 0.13721446022803443
Energy: 2.620046713999404
Energy: 2.3647675288363335
Energy: 0.13845528555015307
Energy: 0.1373245256894015
Energy: 2.324547064458294
Energy: 0.08818188339453677
Energy: 2.225061145914375
Energy: 0.08727918026958861
Energy: 0.09018819688480179
Energy: 2.365098960466763
Energy: 0.08768931554503852
Energy: 2.7623225407936167
Energy: 0.08850448937335295
Energy: 0.08876946894897113
Energy: 2.729179152242237
Energy: 2.2862124234038923
Energy: 2.287367505560422
Energy: 0.1380336331097742
Energy: 0.08754533990261536
Energy: 0.08758142567987753
Energy: 2.71803430651365
Energy: 0.08733690376904986
Energy: 0.1398245966877517
Energy: 0.08982178073453743
Energy: 0.08756593977794037
Energy: 0.13894126856278696
Energy: 2.116110827278065
Energy: 0.08749029283025518
Energy: 0.1398589133093129
Energy: 0.08789172437914734
Energy: 2.822171570092671
Energy: 2.3792777856695255
Energy: 0.0877144940833612
Energy: 2.377681204186717
Energy: 2.5254261380506877

minimum gb energy = 0.08677923665958796 eV
minimum distance =  0.000362521054631477 Angstroms
sigma value = 3


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

Energy: 0.9094929966176474
Energy: 3.095629947009687
Energy: 0.8840832613182638
Energy: 0.8083894490561543
Energy: 2.066232075295504
Energy: 0.8101066788729017
Energy: 0.9172122725653162
Energy: 0.9055069575614534
Energy: 0.9076408265198597
Energy: 0.8346300754670827
Energy: 0.9101777233899618
Energy: 0.9065758826058643
Energy: 0.9097678889964731
Energy: 0.8096303920640964
Energy: 0.8097334831609517
Energy: 0.8888553963041764
Energy: 0.8337666390145295
Energy: 0.8732901318676481
Energy: 0.8377868576245276
Energy: 0.8344920393869738
Energy: 0.810222766994112
Energy: 0.8376031768784479
Energy: 0.750626590166284
Energy: 0.8909913388558397
Energy: 0.7603223618606976
Energy: 0.9247366697513069
Energy: 0.9234176322717093
Energy: 0.7603597192832455
Energy: 0.909584796991792
Energy: 0.9113986902546163
Energy: 0.7924398134740283
Energy: 0.8890161205517947
Energy: 0.8238120793104643
Energy: 0.7084824841411316
Energy: 0.9041545066320938
Energy: 0.7533888797643655
Energy: 0.8359679220118528
Energy: 0.7702910795421004
Energy: 0.7731440157264561
Energy: 0.8377024114213394
Energy: 0.7708685477745613
Energy: 0.8389827837718618
Energy: 0.8378535840356507
Energy: 0.7646210890239493
Energy: 0.7642893353708975
Energy: 0.8379086689121268
Energy: 0.6752974124842812
Energy: 0.7627887125697902
Energy: 0.891390056172751
Energy: 0.7990891212861155
Energy: 0.8535461539163169
Energy: 0.8578914136217479
Energy: 0.7109109754881616
Energy: 0.8505919792856904
Energy: 0.7171636172031688
Energy: 0.770593596256686
Energy: 0.77030417705191
Energy: 0.7174738898277961
Energy: 0.7759889841787165
Energy: 0.7735325503332765
Energy: 0.8505390406432868
Energy: 0.7728819451627565
Energy: 0.7729453898305624
Energy: 0.6826482440905051
Energy: 0.8575244378785338
Energy: 0.7132115574606447
Energy: 0.7169571086319613
Energy: 0.7739417958311953
Energy: 0.7738150814337561
Energy: 0.7169854778663791
Energy: 0.7735009621288595
Energy: 0.7165250384952493
Energy: 0.7183150973820099
Energy: 0.6797375294128495
Energy: 0.7214083268470588
Energy: 0.7184428253671827
Energy: 0.6623395428410443
Energy: 0.7186963438534691
Energy: 0.8394780040973288
Energy: 0.6831731025938274
Energy: 0.7204535711916561
Energy: 0.7223392476611421
Energy: 0.6824818514780874
Energy: 0.7206022888870734
Energy: 0.8381296343595264
Energy: 0.6821985687458717
Energy: 0.6820733425975368
Energy: 0.8383776550736484
Energy: 0.6853927854471359
Energy: 0.6820832600174747
Energy: 0.8365156826832971
Energy: 0.6839519459084528
Energy: 0.7536554392525785
Energy: 0.6651690833161413
Energy: 0.8268364236539536
Energy: 0.7516384009540823
Energy: 0.6648346462309435
Energy: 0.6841930336659201
Energy: 0.7416087438176229
Energy: 0.6646829728403332
Energy: 0.6840348427676752
Energy: 0.6642749558739206
Energy: 0.6651233612419428
Energy: 0.7928942523590178
Energy: 0.8177027473274098
Energy: 0.6651752157662375
Energy: 0.6648814546118683
Energy: 0.6659868371433544
Energy: 0.8247553013225176
Energy: 0.6657738132695882
Energy: 0.8054179993202988
Energy: 0.6697122351262258
Energy: 0.6655044360168829
Energy: 0.7927015914184301
Energy: 0.8325363905906926
Energy: 0.6647625438465927
Energy: 0.6645883978646767
Energy: 0.8339534387117813
Energy: 0.6715458338441197
Energy: 0.6648264802409408
Energy: 0.834151797400926
Energy: 0.8010219404700548
Energy: 0.799976160635557
Energy: 0.6837507583749304
Energy: 0.8014003357409817
Energy: 0.7984896575802953
Energy: 0.6850367576193929
Energy: 0.8013790776119558
Energy: 0.6849023196897347
Energy: 0.6826723766969257
Energy: 0.8007983379734014
Energy: 0.682215535796475
Energy: 0.6820860791217555
Energy: 0.8301381359543194
Energy: 0.8310806211499281
Energy: 0.6821240296645626
Energy: 0.7199740901202268
Energy: 0.7224514348204079
Energy: 0.8402298172413616
Energy: 0.7184710613316365
Energy: 0.7187783636611612
Energy: 0.6677783148928074
Energy: 0.7186819339828978
Energy: 0.6944486101959428
Energy: 0.7681363124175498
Energy: 0.7170923291232928
Energy: 0.7169830873030488
Energy: 0.7694563246739906
Energy: 0.7176903546812391
Energy: 0.717398307723233
Energy: 0.8612256483029327
Energy: 0.7399766852040058
Energy: 0.73879727897128
Energy: 0.8576502557860042
Energy: 0.7136408950109503
Energy: 0.7736877438808196
Energy: 0.7750636885242902
Energy: 0.7399563264792616
Energy: 0.7397124637595682
Energy: 0.7748591904308486
Energy: 0.8665247050991509
Energy: 0.7720115501783966
Energy: 0.7354881421043994
Energy: 0.8941382472267136
Energy: 0.8882348192239863
Energy: 0.7353144087756509
Energy: 0.8907764776280888
Energy: 0.8553434681964982
Energy: 0.8583188764421112
Energy: 1.476020411934788
Energy: 0.7971698730236834
Energy: 0.6910723171825832
Energy: 0.8387689012656467
Energy: 0.7316538264350981
Energy: 0.770358152149023
Energy: 0.8522833715859754
Energy: 0.8537761389862553
Energy: 0.770283374302731
Energy: 0.8384628839531096
Energy: 0.8400081277162009
Energy: 0.9045388873651922
Energy: 0.7875493842954677
Energy: 0.7863881319235598
Energy: 0.9049179731907222
Energy: 0.6850433861631067
Energy: 0.7855803164068249
Energy: 0.9114279322879869
Energy: 0.8234985643359071
Energy: 0.8972729551308826
Energy: 0.9063495619361853
Energy: 0.7283535067545881
Energy: 1.7674165460637892
Energy: 0.7837309288472272
Energy: 0.8370410676565304
Energy: 0.8552162348689947
Energy: 0.7836544910503334
Energy: 0.8380683985037941
Energy: 0.8619924938855591

minimum gb energy = 0.6623395428410443 eV
minimum distance =  2.27581245244173 Angstroms
sigma value = 67


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

Energy: 1.122183483967564
Energy: 2.0142630799136105
Energy: 1.0511159631965095
Energy: 0.851739712765766
Energy: 2.443396312254128
Energy: 1.0471172258379544
Energy: 1.1009064501036612
Energy: 1.0640203247330267
Energy: 1.0801041071006572
Energy: 1.0555498331239044
Energy: 1.063480530761515
Energy: 1.0681080789794763
Energy: 1.1353484485518843
Energy: 0.9598250389673919
Energy: 1.0638969012190609
Energy: 1.0494090622303274
Energy: 0.8825053751320233
Energy: 1.0639476230653284
Energy: 1.0615528231437703
Energy: 1.0772624576935175
Energy: 1.0754717313713997
Energy: 1.0631583298569258
Energy: 0.9798072050635089
Energy: 1.0763489138802027
Energy: 0.9673744227090207
Energy: 1.0633668136912953
Energy: 1.0888413188996278
Energy: 0.967873054371058
Energy: 1.0615537165899391
Energy: 1.0799938248532712
Energy: 0.9453338010223155
Energy: 1.0512673698982131
Energy: 0.9645473452497486
Energy: 0.8839007130471148
Energy: 1.0691339395173693
Energy: 0.9645262036571699
Energy: 0.9672375162276317
Energy: 0.9922665743030028
Energy: 0.9855264333970124
Energy: 0.9678133834354198
Energy: 0.9896958234743517
Energy: 0.9859693999345486
Energy: 0.9697998500307029
Energy: 0.8419734620624371
Energy: 0.8775253108811899
Energy: 0.9695454418205955
Energy: 0.8361679516354154
Energy: 0.9683674404650298
Energy: 1.0349271238221223
Energy: 0.9828110699427189
Energy: 0.9888309007901926
Energy: 0.9871987319070273
Energy: 0.8811297095047416
Energy: 0.9929099393899765
Energy: 0.9421536724998477
Energy: 0.8871730476786949
Energy: 0.882429314597756
Energy: 0.9387804675963255
Energy: 0.8851095985023724
Energy: 0.8816389709242526
Energy: 0.9386051394867245
Energy: 0.8815453717704188
Energy: 0.8809643787281686
Energy: 0.8364330860028946
Energy: 1.0214015090209576
Energy: 0.8810932544291352
Energy: 0.8360728103427
Energy: 0.8811056494887275
Energy: 0.8692791200297798
Energy: 0.8360018691386714
Energy: 0.881169099827067
Energy: 0.835483247082718
Energy: 0.8363746568098372
Energy: 0.8438983870745062
Energy: 0.9872643206804018
Energy: 0.8360402093057591
Energy: 0.8383200087917148
Energy: 0.8349265389161828
Energy: 1.0102068628559944
Energy: 0.8607088515684991
Energy: 0.8725891234626961
Energy: 0.8360315070833682
Energy: 0.8333524145997898
Energy: 0.9860076766074145
Energy: 1.0112837732450775
Energy: 0.840623615867053
Energy: 0.8364480397677263
Energy: 1.0131665828134324
Energy: 0.8372097693334114
Energy: 0.8359438027643921
Energy: 1.0135610652450047
Energy: 0.8929407674449225
Energy: 0.9916324438921269
Energy: 0.8835960328504886
Energy: 0.8362561463365344
Energy: 0.88492233008074
Energy: 0.8883514588162507
Energy: 0.8315634069412067
Energy: 0.8468321150702426
Energy: 0.889287170409955
Energy: 0.8249317712068565
Energy: 0.8811660544111348
Energy: 0.8823139250987719
Energy: 1.035018838186086
Energy: 1.037270852861196
Energy: 0.8827813640518242
Energy: 1.0316212509875375
Energy: 0.881140036279961
Energy: 1.0280733747231254
Energy: 0.9682614234707899
Energy: 0.9141089047762876
Energy: 0.8512945095700936
Energy: 1.0713210579347823
Energy: 0.9149165620378964
Energy: 0.8815857112172969
Energy: 0.9733384091077184
Energy: 0.9971442885109141
Energy: 0.881860225584494
Energy: 0.9709942611537007
Energy: 0.9896221480448608
Energy: 1.0778217943342172
Energy: 1.060207347786354
Energy: 1.0586858914539354
Energy: 1.0801246980394152
Energy: 0.9008698480634744
Energy: 1.0504269268023037
Energy: 1.1347627627974082
Energy: 0.9014819591047724
Energy: 1.0475228923380129
Energy: 1.0582570422878872
Energy: 0.8478750693403788
Energy: 1.0382835638693566
Energy: 1.0140968747766468
Energy: 0.9739812064646163
Energy: 0.9906145531616803
Energy: 1.0164427808273329
Energy: 0.9728649989067478
Energy: 1.070715652350164

minimum gb energy = 0.8249317712068565 eV
minimum distance =  2.26571812185947 Angstroms
sigma value = 33


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

Energy: 1.3051285236949972
Energy: 2.2552840883203196
Energy: 1.2580515923726023
Energy: 0.9851771882589114
Energy: 2.2980245505356045
Energy: 1.144694830675497
Energy: 1.2040863212332527
Energy: 1.157314765839948
Energy: 1.177246955186932
Energy: 1.162363535497622
Energy: 1.162055266230171
Energy: 1.1763587363908081
Energy: 1.202636801552265
Energy: 1.0424384869960452
Energy: 1.1175600671856483
Energy: 1.1720426825568457
Energy: 1.046799316066369
Energy: 1.1753604348079278
Energy: 1.1747278093999023
Energy: 1.1133358647388456
Energy: 1.1136079353009647
Energy: 1.1734882865020677
Energy: 1.1697367049755278
Energy: 1.169083193511243
Energy: 1.0484094854567485
Energy: 1.157818956071637
Energy: 1.17843489335051
Energy: 1.0476030779534882
Energy: 1.1644381756814908
Energy: 1.1771347772458562
Energy: 1.074192739242894
Energy: 1.0546249240120016
Energy: 1.1894834909973842
Energy: 0.9509644015203799
Energy: 0.9568583296069008
Energy: 1.0439569270941056
Energy: 1.0483838978565285
Energy: 1.0693455336652884
Energy: 1.06683494931437
Energy: 1.0480866020070212
Energy: 1.0679765803637646
Energy: 1.0657857713536498
Energy: 1.0480660113034084
Energy: 0.9539653282540955
Energy: 0.9559091465452999
Energy: 1.0484514902813775
Energy: 0.9595213719341928
Energy: 1.0687909412388465
Energy: 1.1377312222227238
Energy: 1.0603225290695695
Energy: 1.0588535464412208
Energy: 1.0675063404692342
Energy: 0.9534346969067817
Energy: 1.0704937641907126
Energy: 1.1446327563226137
Energy: 0.9553490222264029
Energy: 0.9547700396594939
Energy: 1.0473612105111907
Energy: 0.9561631590924974
Energy: 0.9546862362223152
Energy: 1.1409367777274368
Energy: 0.9560343990118799
Energy: 0.9551693810525832
Energy: 0.9578214673105514
Energy: 0.953473852076767
Energy: 1.0048205906246546
Energy: 0.9545560747064405
Energy: 0.9569835284271359
Energy: 0.9620289779209962
Energy: 0.9545932159325646
Energy: 0.9755702777380341
Energy: 0.955050181630537
Energy: 0.9542382272282023
Energy: 1.068144097654134
Energy: 0.9545856977995826
Energy: 0.9542135627715841
Energy: 1.0666468591956306
Energy: 0.9541711254399066
Energy: 0.9308952542879159
Energy: 1.050530656183764
Energy: 1.0695798716954406
Energy: 0.9330145873563268
Energy: 1.0989769824112718
Energy: 0.9760555513054999
Energy: 0.9282306138507237
Energy: 1.0485435730722406
Energy: 1.0708996463023652
Energy: 1.0483234213234875
Energy: 1.0493269346272613
Energy: 1.0670360182072272
Energy: 1.1755369703020664
Energy: 1.0783135618210997
Energy: 1.1535456147264285
Energy: 1.1775635993918563
Energy: 0.9753521753429227
Energy: 1.1765704628048814
Energy: 1.2777282667131327
Energy: 0.9759237538735321
Energy: 0.9769075324308762
Energy: 1.0544641570646023
Energy: 0.9816291519592476
Energy: 1.1486363896246952
Energy: 1.203084505190696
Energy: 1.0461855855407907
Energy: 1.0685698427589347
Energy: 1.1645197806658492
Energy: 1.172490224412745
Energy: 1.1563216436966028
Energy: 1.199824933706762
Energy: 2.130020472216556
Energy: 1.2182506640343616
Energy: 0.9736235603327439
Energy: 2.113541607890725
Energy: 1.1060455727422795
Energy: 1.1101767082104799
Energy: 1.158851269734625
Energy: 1.177653517766851
Energy: 1.112888454482897
Energy: 1.1642866413717146
Energy: 1.1769091198950674
Energy: 1.2038900137974642
Energy: 1.114131824260947
Energy: 1.1159603138280598
Energy: 1.1731835543640594
Energy: 1.0600088642117989
Energy: 1.1676984221792015
Energy: 1.172296226256888
Energy: 1.0418920629345942
Energy: 1.1174076184078425
Energy: 1.1719984395022582
Energy: 1.046750599856609
Energy: 1.175190966646359
Energy: 1.049035909851678
Energy: 1.1560363800806104
Energy: 1.1792258790856562
Energy: 1.0482997454409748
Energy: 1.1612468723748508
Energy: 1.1774496400779724
Energy: 1.0756757031029995
Energy: 0.9535883002490655
Energy: 1.0539568693457118
Energy: 0.9515362842767434
Energy: 0.9565520780399246
Energy: 1.043377369800082
Energy: 1.048217334109116
Energy: 1.1781345045894376
Energy: 1.0708454706606503
Energy: 1.0478124752576052
Energy: 1.1739741790752662
Energy: 1.065589158366297
Energy: 1.0558569819692625
Energy: 0.9535643905994059
Energy: 1.0062106564244793
Energy: 1.0482736925851877
Energy: 0.959035016755026
Energy: 1.0696027276745836
Energy: 1.141089727164851
Energy: 0.9549727671463837
Energy: 1.0583018648791371
Energy: 1.0688776063091032
Energy: 0.978692505412498
Energy: 1.0710515036879582
Energy: 1.1423971122790624
Energy: 0.9547253333591755
Energy: 0.9548141615351948
Energy: 1.069566056601175
Energy: 0.9570998953532911
Energy: 0.9548566518775415
Energy: 1.1404260575903808
Energy: 0.9563866387398876
Energy: 0.9560707798482636
Energy: 0.9591412939618199
Energy: 0.9547595270608392
Energy: 1.005396149550907
Energy: 0.9542621472967682
Energy: 0.9550639685296969
Energy: 0.9563727887146645
Energy: 0.9542731884866191
Energy: 0.9771545921838167
Energy: 0.9546465604299506
Energy: 0.9558130095260158
Energy: 1.070246799954477
Energy: 0.9541450959159177
Energy: 0.9543601711928044
Energy: 1.0670004425045718
Energy: 0.9544238345267222
Energy: 0.9310924651902778
Energy: 1.0498490780425207
Energy: 1.0700422969657823
Energy: 0.9318418039531497
Energy: 1.0705295639483188
Energy: 0.9763803634765795
Energy: 0.9283126079006723
Energy: 1.0494803781893196
Energy: 1.070787687656889
Energy: 0.9558922895764842
Energy: 1.0503717830771764
Energy: 1.0055817574062633
Energy: 1.1696687094482836
Energy: 1.0767273779946245
Energy: 1.1550794759162903
Energy: 1.1738277197619948
Energy: 0.9755095180003981
Energy: 1.1773378791628188
Energy: 1.2365157950047778
Energy: 0.9761323385183412
Energy: 0.9776727081718563
Energy: 1.2369738852334649
Energy: 0.9257608612340227
Energy: 1.1316368945730935
Energy: 1.2036253839131053
Energy: 1.0472692121542568
Energy: 1.1573870630811303
Energy: 1.1627751091764835
Energy: 1.0471337851699425
Energy: 1.1566569753299762
Energy: 1.2011793476573918
Energy: 2.453293622153767
Energy: 1.2194945522217255
Energy: 0.9800125001156322
Energy: 2.200132061885386
Energy: 1.107029438944488

minimum gb energy = 0.9257608612340227 eV
minimum distance =  2.26514989362994 Angstroms
sigma value = 41


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

Energy: 1.3991721407809947
Energy: 2.078411464240398
Energy: 1.111151131020521
Energy: 1.114333620436739
Energy: 2.284613116873116
Energy: 1.107759789960834
Energy: 1.3692332300568175
Energy: 1.287166714863972
Energy: 1.233585751191858
Energy: 1.2646546939117869
Energy: 1.1745822090770293
Energy: 1.2280021095891336
Energy: 1.3685911659416419
Energy: 1.140993677658631
Energy: 1.107539462754535
Energy: 1.147337634028416
Energy: 1.1456712443563397
Energy: 1.141525695746026
Energy: 1.1690911042761596
Energy: 1.142572545904986
Energy: 1.108307757332387
Energy: 1.1492361967068676
Energy: 1.147003424892803
Energy: 1.1470651494503499
Energy: 1.145365135665362
Energy: 1.146985836388508
Energy: 1.111284629498493
Energy: 1.1482471674895713
Energy: 1.1713900001699302
Energy: 1.1117328879783714
Energy: 1.212079728095154
Energy: 1.1503787144139948
Energy: 1.1119299128027118
Energy: 1.1140025964024436
Energy: 1.1639552918220475
Energy: 1.1110921178090667
Energy: 1.1456045367128662
Energy: 1.2313961137448652
Energy: 1.1145730253681265
Energy: 1.1459478528109464
Energy: 1.2299933041728799
Energy: 1.1146088352315207
Energy: 1.1485099130435032
Energy: 1.1119487422155472
Energy: 1.112733657905155
Energy: 1.1499615980441518
Energy: 1.174491126801089
Energy: 1.1458325365663946
Energy: 1.2846265870533895
Energy: 1.114266250808141
Energy: 1.1104679118444705
Energy: 1.0904327448936353
Energy: 1.1629894166108758
Energy: 1.1097646466737836
Energy: 1.2128581047116584
Energy: 1.1541810843805513
Energy: 1.1169753473929884
Energy: 1.1171969253985683
Energy: 1.1467798209806257
Energy: 1.110652969122139
Energy: 1.3004920209936495
Energy: 1.1115878827258998
Energy: 1.1335058895175047
Energy: 1.2313384590886547
Energy: 1.0866767018678707
Energy: 1.2264482101660357
Energy: 1.3591218493365298
Energy: 1.0864591848253036
Energy: 1.0864357435916758
Energy: 1.3581862190705707
Energy: 1.0864618222963018
Energy: 1.1656675290520075
Energy: 1.3701591091326706
Energy: 1.1103161028087034
Energy: 1.133630131756472
Energy: 1.1727982718939465
Energy: 1.2692906937354498
Energy: 1.2301460938635584
Energy: 1.0884262673620468
Energy: 2.4404808811410095
Energy: 1.0871798783810926
Energy: 1.0924069118963688
Energy: 2.077318050455974
Energy: 1.0872179920389617

minimum gb energy = 1.0864357435916758 eV
minimum distance =  2.30746502491712 Angstroms
sigma value = 11


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

Energy: 1.9310413645608258
Energy: 2.6653200113496256
Energy: 1.3711477189115673
Energy: 1.3612330915954935
Energy: 2.589395788992552
Energy: 1.3613783289796175
Energy: 1.5131559628716622
Energy: 1.3116686034050542
Energy: 1.332600767154794
Energy: 1.363899237337486
Energy: 1.3107908286167667
Energy: 1.288867030421999
Energy: 1.4918305913289742
Energy: 1.3183030940139298
Energy: 1.3238603865414245
Energy: 1.426199669960384
Energy: 1.3176340889124558
Energy: 1.3297356679587469
Energy: 1.3969318185263715
Energy: 1.2834129889665915
Energy: 1.288754439467547
Energy: 1.344719209318481
Energy: 1.2836627660209645
Energy: 1.2906451004787711
Energy: 1.3616772145344687
Energy: 1.3122248653571895
Energy: 1.3066548666512112
Energy: 1.3416564268251907
Energy: 1.3103637044832117
Energy: 1.3519287984924173
Energy: 1.4063532239963505
Energy: 1.319010656214734
Energy: 1.3286015314461779
Energy: 1.3464310030404405
Energy: 1.3078769676312116
Energy: 1.329722880510607
Energy: 1.314190482561432
Energy: 1.3292273783220165
Energy: 1.3303702026005393
Energy: 1.3145223479762211
Energy: 1.329954972514375
Energy: 1.3225704978182589
Energy: 1.314211511672837
Energy: 1.3513466797773896
Energy: 1.34339561923062
Energy: 1.3091124737287476
Energy: 1.365169542138493
Energy: 1.3337592812855525
Energy: 1.3005378002925232
Energy: 1.3431161684679438
Energy: 1.3282451351398874
Energy: 1.274965770171052
Energy: 1.3432976482216132
Energy: 1.2884916592227738
Energy: 1.3256754739680814
Energy: 1.3434730312224439
Energy: 1.3267626109145731
Energy: 1.2760980104658732
Energy: 1.342610482912475
Energy: 1.2897541037387135
Energy: 1.3141523901108914
Energy: 1.3555062498992756
Energy: 1.3445030252778993
Energy: 1.308562221507767
Energy: 1.332956073028625
Energy: 1.3348631665399413
Energy: 1.3056949971528198
Energy: 1.2988797980532616
Energy: 1.3403638842548782
Energy: 1.3077025019420647
Energy: 1.3383321878706493
Energy: 1.346484491580893
Energy: 1.3023734113593732
Energy: 1.3382098506404463
Energy: 1.3374191792341759
Energy: 1.3029823218913612
Energy: 1.3533854079567125
Energy: 1.3312826466633645
Energy: 1.3556192063595114
Energy: 1.3403876995481312
Energy: 1.3422087718213618
Energy: 1.324499904295237
Energy: 1.3723597626489843
Energy: 1.3424969164720315
Energy: 1.2882870227252485
Energy: 1.3375715179255179
Energy: 1.3357267084652058
Energy: 1.306189957626845
Energy: 1.3369772471183679
Energy: 1.2891742675034241
Energy: 1.289924948855285
Energy: 1.337741497008723
Energy: 1.3348004307592103
Energy: 1.2913127127808122
Energy: 1.3390651308965624
Energy: 1.290074004948746
Energy: 1.2869451770352491
Energy: 1.3361013343916832
Energy: 1.332781279091641
Energy: 1.3080099129754361
Energy: 1.3284071258503831
Energy: 1.3085256453815615
Energy: 1.3750078349009354
Energy: 1.3520628903292413
Energy: 1.3548136624084421
Energy: 1.3220999581434294
Energy: 1.3571164237300979
Energy: 1.3214190441103095
Energy: 1.3333172276128162
Energy: 1.3416508963434244
Energy: 1.3382722172779171
Energy: 1.3369368714554444
Energy: 1.3397686304401655
Energy: 1.3361995159927396
Energy: 1.3630427407238448
Energy: 1.2842467138027882
Energy: 1.286327810611324
Energy: 1.3246638348039081
Energy: 1.284270057436075
Energy: 1.337326546542607
Energy: 1.3872617471988626
Energy: 1.2843274327219043
Energy: 1.2831412663109933
Energy: 1.326924854924684
Energy: 1.2851202888759212
Energy: 1.3376709344457036
Energy: 1.3099746847854594
Energy: 1.3419660372235123
Energy: 1.3413773027458196
Energy: 1.337768409518837
Energy: 1.326897914745356
Energy: 1.3428332078036282
Energy: 1.2947493652481736
Energy: 1.3308227196719606
Energy: 1.2876118295521035
Energy: 1.3157374357081382
Energy: 1.3267897707442147
Energy: 1.2881724605607676
Energy: 1.3875873735035646
Energy: 1.3440239286480125
Energy: 1.3288630758028284
Energy: 1.340957018079929
Energy: 1.3371650264284405
Energy: 1.3368090818466727
Energy: 1.389154431171846
Energy: 1.330484549187953
Energy: 1.3310172477196578
Energy: 1.3901376676440882
Energy: 1.3266316693077747
Energy: 1.3317378416642285
Energy: 1.409899186407285
Energy: 1.3178940537749553
Energy: 1.3054318988434894
Energy: 1.3389668965807586
Energy: 1.3177843835912433
Energy: 1.3275424708450594
Energy: 1.3963253360624577
Energy: 1.2888698238547314
Energy: 1.2897765036836528
Energy: 1.3398083978492472
Energy: 1.2906892461177222
Energy: 1.289329373687954
Energy: 1.3851569309722302
Energy: 1.3017572993594286
Energy: 1.2901735787715403
Energy: 1.3370028454012537
Energy: 1.3050108727441165
Energy: 1.334929326038049
Energy: 1.4921453713302069
Energy: 1.3314677547593428
Energy: 1.3343212859136235
Energy: 1.4919894638477875
Energy: 1.3137862186883025
Energy: 1.332964415730172
Energy: 1.4911676316831315
Energy: 1.318755303947899
Energy: 1.289344359893059
Energy: 1.3384532388453578
Energy: 1.3045751225256468
Energy: 1.3342751274195312
Energy: 1.3784357648466945
Energy: 2.5067139429232084
Energy: 1.3331362395683937
Energy: 1.2815168697082346
Energy: 2.584470345413787
Energy: 1.2762025806396458

minimum gb energy = 1.274965770171052 eV
minimum distance =  2.28525837502045 Angstroms
sigma value = 57


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

Energy: 1.722061361513484
Energy: 2.2084337211254503
Energy: 1.466409661227843
Energy: 1.4653914460029778
Energy: 2.1662950818857256
Energy: 1.4704275732055219
Energy: 1.407337416687425
Energy: 1.3553448719397854
Energy: 1.3571181820559786
Energy: 1.3570581502344528
Energy: 1.3541863636708908
Energy: 1.3599241702406615
Energy: 1.407586578878009
Energy: 1.3835289350459063
Energy: 1.4010891334502815
Energy: 1.3982739796756345
Energy: 1.3859219572600525
Energy: 1.3582873023009134
Energy: 1.3359724796674826
Energy: 1.3605040057607987
Energy: 1.3589258483091888
Energy: 1.3502224591201577
Energy: 1.331028556869769
Energy: 1.356728791543372
Energy: 1.3480679129332
Energy: 1.3604117994596345
Energy: 1.3589036897466304
Energy: 1.355590109756559
Energy: 1.3547196895133515
Energy: 1.3585583487999906
Energy: 1.4011467861843758
Energy: 1.410800429017489
Energy: 1.4119581240317272
Energy: 1.3580102766823294
Energy: 1.4183967763328098
Energy: 1.4140290870691492
Energy: 1.4100621186775906
Energy: 1.3581253091021999
Energy: 1.3605147408108706
Energy: 1.4110021884408404
Energy: 1.3494362280945218
Energy: 1.4239150605994388
Energy: 1.405809045483519
Energy: 1.3584831904391286
Energy: 1.359713128439601
Energy: 1.3504009454554953
Energy: 1.3537277559865895
Energy: 1.3576517861965518
Energy: 1.3054525340154854
Energy: 1.358071660946683
Energy: 1.4613217573120527
Energy: 1.3126942502005658
Energy: 1.3534259961816153
Energy: 1.331434254406576
Energy: 1.305896343297253
Energy: 1.3592301420521808
Energy: 1.3353681818277348
Energy: 1.3104549485724126
Energy: 1.4041962998847746
Energy: 1.3317707896119755
Energy: 1.4047905386180466
Energy: 1.357096340090516
Energy: 1.362431485885388
Energy: 1.349932211232012
Energy: 1.3552453128557198
Energy: 1.3577322398683853
Energy: 1.3994916164493143
Energy: 1.4087315624267678
Energy: 1.411241678085956
Energy: 1.3966228053455607
Energy: 1.409964632455503
Energy: 1.4113706078515973
Energy: 1.3517530411134997
Energy: 1.357543457826475
Energy: 1.3575659111038865
Energy: 1.3567883367890339
Energy: 1.3533864921493168
Energy: 1.3574707059618436
Energy: 1.3991640921649426
Energy: 1.4113500397613565
Energy: 1.4118059144699748
Energy: 1.3540404995867623
Energy: 1.4150512152607182
Energy: 1.3556648241011768
Energy: 1.352300021985488
Energy: 1.3049105558774312
Energy: 1.3582389124316858
Energy: 1.3855214905558977
Energy: 1.328449360941024
Energy: 1.3588759131199661
Energy: 1.4072921660812319
Energy: 1.329782301479628
Energy: 1.3064621077625154
Energy: 1.3988725490700684
Energy: 1.35381708121922
Energy: 1.3588345427052093
Energy: 1.3051450992518507
Energy: 1.3541981263259584
Energy: 1.3554249032641636
Energy: 1.3271690372858662
Energy: 1.3545077686796805
Energy: 1.3575449512162716

minimum gb energy = 1.3049105558774312 eV
minimum distance =  2.28395253008177 Angstroms
sigma value = 9


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

Energy: 2.0800732148369234
Energy: 3.0022345448186156
Energy: 1.4378786982410914
Energy: 1.4054128228322742
Energy: 2.613893126305916
Energy: 1.435966049770316
Energy: 1.5941052713295234
Energy: 1.4032171652041159
Energy: 1.399944940468917
Energy: 1.3922658671454475
Energy: 1.3925957229581196
Energy: 1.399230595091506
Energy: 1.5147194078803308
Energy: 1.43228542681059
Energy: 1.4006840024953096
Energy: 1.4051784937666056
Energy: 1.4355544834171166
Energy: 1.400964943060415
Energy: 1.453456368237714
Energy: 1.403925460039476
Energy: 1.404504546702335
Energy: 1.4170405874775978
Energy: 1.4037770277369896
Energy: 1.4051550793338594
Energy: 1.4206023772232212
Energy: 1.389068041728622
Energy: 1.3854876706898493
Energy: 1.3841672547913029
Energy: 1.3957322063080724
Energy: 1.3848148711597315
Energy: 1.4301573182117948
Energy: 1.4033960989623682
Energy: 1.4039409010751658
Energy: 1.3962404037652836
Energy: 1.4006595062755542
Energy: 1.4034924480540172
Energy: 1.4316601998407397
Energy: 1.4594927053335498
Energy: 1.4015720490911145
Energy: 1.3944068816422586
Energy: 1.46196669069679
Energy: 1.4019024318827895
Energy: 1.4740895359014954
Energy: 1.4082652040294552
Energy: 1.396206106146254
Energy: 1.3879885404703443
Energy: 1.4214749862560503
Energy: 1.3951601833316407
Energy: 1.5807617719851264
Energy: 1.3894408433426155
Energy: 1.3866675345309263
Energy: 1.4007795467456774
Energy: 1.3957214555820399
Energy: 1.3986322653397711
Energy: 1.5810954060706006
Energy: 1.3910413394119676
Energy: 1.3884340584968835
Energy: 1.4025135181567132
Energy: 1.3895288803481842
Energy: 1.3877005116680339
Energy: 1.474080062196038
Energy: 1.3847360260938397
Energy: 1.3836441031773548
Energy: 1.3905731040082414
Energy: 1.384500690950053
Energy: 1.3839071034640889
Energy: 1.4725932477070487
Energy: 1.400037373339132
Energy: 1.3982255819995184
Energy: 1.3900022364325018
Energy: 1.4033421956149719
Energy: 1.3851557229116587
Energy: 1.5731172682119121
Energy: 1.3994811931968139
Energy: 1.3999697834272815
Energy: 1.3631466147562226
Energy: 1.3980214988774413
Energy: 1.3632977250125993
Energy: 1.6192190282716186
Energy: 1.4096211835233077
Energy: 1.4101628636519241
Energy: 1.4014498507056778
Energy: 1.4075909951260182
Energy: 1.4090163925961947
Energy: 1.4716429199902779
Energy: 1.3820778218827063
Energy: 1.3816435077407876
Energy: 1.3912915108829618
Energy: 1.3810872118541049
Energy: 1.3888483855733607
Energy: 1.4534442762388582
Energy: 1.3969020610677758
Energy: 1.3822367915126885
Energy: 1.4323107271580868
Energy: 1.4360455061415098
Energy: 1.4662066881934759
Energy: 1.5019358521878592
Energy: 1.414440916577133
Energy: 1.4116261359981515
Energy: 1.4062246690785547
Energy: 1.415100143442177
Energy: 1.4112521124215969
Energy: 1.5010497121796864
Energy: 1.4439960807372465
Energy: 1.440072372636931
Energy: 1.4377103832400648
Energy: 1.4500227552874672
Energy: 1.4386625880104764
Energy: 1.5123075010154703
Energy: 1.4048482287754527
Energy: 1.4030107189298016
Energy: 1.3849483284834017
Energy: 1.406789050551884
Energy: 1.402523685830713
Energy: 1.515863911097095
Energy: 1.4064133975845277
Energy: 1.4045589875796294
Energy: 1.4057671363612125
Energy: 1.392508775157466
Energy: 1.4039486008818192
Energy: 1.5561845224777284
Energy: 1.3860640160527984
Energy: 1.3866139113823162
Energy: 1.416010622201001
Energy: 1.3946947951031456
Energy: 1.3942237739029526

minimum gb energy = 1.3631466147562226 eV
minimum distance =  2.2145727650645 Angstroms
sigma value = 27


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

Energy: 1.3858360779305412
Energy: 2.2620965870975414
Energy: 1.2723401840237776
Energy: 1.2677733112244447
Energy: 2.0681690033969202
Energy: 1.3666569162898674
Energy: 1.557372609436048
Energy: 1.3347237473191653
Energy: 1.334345477150591
Energy: 1.3331463530801237
Energy: 1.3334635313492356
Energy: 1.33518462909519
Energy: 1.5591750477643127
Energy: 1.4528632021298227
Energy: 1.342583734817429
Energy: 1.3307686414521513
Energy: 1.325814041552366
Energy: 1.4543110220773603
Energy: 1.5461044897388436
Energy: 1.3357465591682927
Energy: 1.3513214439728267
Energy: 1.3683871349279206
Energy: 1.3314995425630318
Energy: 1.3374384206814252
Energy: 1.3215918093578194
Energy: 1.3330744659618938
Energy: 1.3351147985140932
Energy: 1.323797458093854
Energy: 1.33381064455498
Energy: 1.3396137132939516
Energy: 1.4850245418822916
Energy: 1.3618783481888261
Energy: 1.4185232141754864
Energy: 1.3744097730669453
Energy: 1.358673082910316
Energy: 1.3696298970421503
Energy: 1.5430069792252692
Energy: 1.270580486839903
Energy: 1.2716425184111755
Energy: 2.528371142906205
Energy: 1.2685163458713353
Energy: 1.2760317167565132
Energy: 1.5207621719004953
Energy: 1.2680893723610156
Energy: 1.3542994415698284
Energy: 1.4361456859387292
Energy: 1.2670848404528299
Energy: 1.439844022522429
Energy: 1.63888798076024
Energy: 1.374577883304364
Energy: 1.3806063176832242
Energy: 1.3762966430411174
Energy: 1.4275433662611592
Energy: 1.3755191139104663
Energy: 1.6387324614248178
Energy: 1.3747420757172848
Energy: 1.380748320843141
Energy: 1.377191358633792
Energy: 1.4127228967015837
Energy: 1.375665837230809
Energy: 1.5185859858001407
Energy: 1.4245162820508066
Energy: 1.4247609090586673
Energy: 1.4310104551885519
Energy: 1.352013479885116
Energy: 1.426870890873051
Energy: 1.5517384558194354
Energy: 1.382528153427577
Energy: 1.38262860658696
Energy: 1.385170692795976
Energy: 1.3819352085694308
Energy: 1.3832907839591053
Energy: 1.2648849056850453
Energy: 2.6459911995037197
Energy: 1.2679358180889153
Energy: 1.2684814797647836
Energy: 2.3235533839917006
Energy: 1.2677859133391833
Energy: 1.2664300926550336
Energy: 1.383979976833065
Energy: 1.3832751173771958
Energy: 1.2666694980694646
Energy: 1.4081679825589433
Energy: 1.2675630166786662
Energy: 1.5213959594398634
Energy: 1.3810904869783696
Energy: 1.3821787569362558
Energy: 1.3831293371621864
Energy: 1.3826692918898742
Energy: 1.3863737910431742
Energy: 1.5460807136502945
Energy: 1.3815345444882112
Energy: 1.3824347313756438
Energy: 1.428644168727805
Energy: 1.3824440347790905
Energy: 1.387288882386412
Energy: 1.322757361733539
Energy: 1.4133917994762053
Energy: 1.3993630857600585
Energy: 1.3489083757901568
Energy: 1.4157127375007612
Energy: 1.4485564259758494
Energy: 1.4329057176773956
Energy: 1.3753319499453158
Energy: 1.382716641644887
Energy: 1.379660928985688
Energy: 1.3761408771452635
Energy: 1.3786425814587164
Energy: 1.5417081998259468
Energy: 1.2666824659273115
Energy: 1.2670047583487358
Energy: 1.3758411948306781
Energy: 1.2673350648716653
Energy: 1.2678234303551943
Energy: 1.561515712441963
Energy: 1.2666971749761202
Energy: 1.2670044040023087
Energy: 1.3758559900802705
Energy: 1.267351178564963
Energy: 1.2680987593776847
Energy: 1.6865497966355336
Energy: 1.3762149935937815
Energy: 1.3754208284872396
Energy: 1.3792561299579862
Energy: 1.3755859784065165
Energy: 1.3806717700331725
Energy: 1.326694367068982
Energy: 1.3563671061573561
Energy: 1.3554115726311884
Energy: 1.3261813638466264
Energy: 1.3499555614495473
Energy: 1.3615375414406239
Energy: 1.5544737441015284
Energy: 1.3466362839423431
Energy: 1.331944111182015
Energy: 1.332276938279792
Energy: 1.3464568317660115
Energy: 1.347743101662037
Energy: 1.5488629779487673
Energy: 1.3311559343553119
Energy: 1.3311276002481123
Energy: 1.3326381424245763
Energy: 1.3335973225332538
Energy: 1.4477424687663374
Energy: 1.4227240009429958
Energy: 1.3342137852447682
Energy: 1.333344053969504
Energy: 1.266875932674456
Energy: 1.334142339680862
Energy: 1.3623137512352925

minimum gb energy = 1.2648849056850453 eV
minimum distance =  2.24592950870962 Angstroms
sigma value = 19


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

Energy: 2.0099941358156532
Energy: 2.845131836319311
Energy: 1.2794604586574807
Energy: 1.3004194494226406
Energy: 2.524980879896482
Energy: 1.279121890514674
Energy: 1.5175127851750747
Energy: 1.2968439873314388
Energy: 1.2974428440951715
Energy: 1.2942101967554185
Energy: 1.349146650921426
Energy: 1.2968880663505042
Energy: 1.4633823944117696
Energy: 1.2977549096162784
Energy: 1.3005384960498585
Energy: 1.2954947599557707
Energy: 1.2962065956639004
Energy: 1.2979672177589299
Energy: 1.4175350380343787
Energy: 1.2965605862922223
Energy: 1.2979493734827026
Energy: 1.3338094479211222
Energy: 1.2955902091463103
Energy: 1.2991655185106339
Energy: 1.3052554833315688
Energy: 1.2978084749624434
Energy: 1.2971504737218822
Energy: 1.3031507908719286
Energy: 1.2959907463175404
Energy: 1.2984359662198868
Energy: 1.3421014544393168
Energy: 1.2993566705209705
Energy: 1.2998874557206144
Energy: 1.314738219138204
Energy: 1.3014651492340383
Energy: 1.2977557709271361
Energy: 1.3130968058436068
Energy: 1.2839290465369417
Energy: 1.3216879298973065
Energy: 1.2957656618772209
Energy: 1.2832882285571585
Energy: 1.3199386306137806
Energy: 1.3397769799945647
Energy: 1.289181705849369
Energy: 1.2968652485618997
Energy: 1.368515314226038
Energy: 1.2882235997027236
Energy: 1.2974749449143814
Energy: 1.2889176607681763
Energy: 1.2979975685821168
Energy: 1.2973096589206339
Energy: 1.2944422241931157
Energy: 1.2991828770386458
Energy: 1.2964750532875284
Energy: 1.2903434459095262
Energy: 1.2944681819545056
Energy: 1.2975927727356604
Energy: 1.2952626384878376
Energy: 1.297278475649984
Energy: 1.2993241503098283
Energy: 1.4805085862583396
Energy: 1.277236673297385
Energy: 1.2803452784878342
Energy: 1.2878263885208552
Energy: 1.2755284131911766
Energy: 1.276068215075115
Energy: 1.4917147098214265
Energy: 1.2754441071291136
Energy: 1.2766038841780785
Energy: 1.2769049028954338
Energy: 1.2738896433247924
Energy: 1.2775289284931894
Energy: 1.3644848302009933
Energy: 1.2777356179771844
Energy: 1.3016897384795445
Energy: 1.2638121298933165
Energy: 1.3206016376203051
Energy: 1.272091916005848
Energy: 1.446704398876231
Energy: 1.2949763156857657
Energy: 1.294474915821541
Energy: 1.2675610861865791
Energy: 1.345352205400064
Energy: 1.2972099883826353
Energy: 1.4611453721117797
Energy: 1.274356688070213
Energy: 1.275208014377885
Energy: 1.276776579330756
Energy: 1.2735588966935465
Energy: 1.2760077070632991
Energy: 1.4742266079842183
Energy: 1.2764784745706501
Energy: 1.2772357711380027
Energy: 1.2769531113270292
Energy: 1.2874284177907558
Energy: 1.2777476797052372
Energy: 1.3287126634377104
Energy: 1.2957334519927397
Energy: 1.3116875725674741
Energy: 1.2691797213362839
Energy: 1.3606820795764714
Energy: 1.3108231878644387
Energy: 1.40655282484898
Energy: 1.275707515036355
Energy: 1.2763612594415437
Energy: 1.2657875229275821
Energy: 1.2754277136759504
Energy: 1.2768333170749933
Energy: 1.4225925956689447
Energy: 1.2681330452266713
Energy: 1.2689836537658
Energy: 1.3596139416643418
Energy: 1.2670748845572823
Energy: 1.2761529210803488
Energy: 1.3808445500346975
Energy: 1.2679038784039613
Energy: 1.2687358560236497
Energy: 1.280563147686717
Energy: 1.26721598157854
Energy: 1.2758123699526192
Energy: 1.2821105458452078
Energy: 1.275843253687929
Energy: 1.2761152847760424
Energy: 1.2751653163770407
Energy: 1.2760435391702372
Energy: 1.276293467798563
Energy: 1.2669716021940938
Energy: 1.278016308787778
Energy: 1.27756272656091
Energy: 1.2736847959612656
Energy: 1.2776947191400219
Energy: 1.2765509585642794
Energy: 1.4354424799198517
Energy: 1.264036037663886
Energy: 1.2622952940327996
Energy: 1.3595960902738797
Energy: 1.2622676858949042
Energy: 1.2773750244907534
Energy: 1.4230920190164946
Energy: 1.2614459504251936
Energy: 1.2771081933671402
Energy: 1.3804572206439598
Energy: 1.2604685222331804
Energy: 1.276643068798219
Energy: 1.369703854815023
Energy: 1.2763727232839621
Energy: 1.2762525585836095
Energy: 1.2728825963891657
Energy: 1.2762020011308124
Energy: 1.275754774862757
Energy: 1.318091408328349
Energy: 1.2966569368689398
Energy: 1.2977073969466904
Energy: 1.286690082205743
Energy: 1.2968725555457208
Energy: 1.2769162780677896
Energy: 1.4634220873891552
Energy: 1.2970287072813964
Energy: 1.297897931105726
Energy: 1.2969719603987369
Energy: 1.2955375976220795
Energy: 1.2973290122620196
Energy: 1.4632483517782755
Energy: 1.2958847415699182
Energy: 1.2966391858092794
Energy: 1.2990204072915936
Energy: 1.2949695004382997
Energy: 1.297405457618817
Energy: 1.398623955070142
Energy: 1.2955728572011593
Energy: 2.6830853861576713
Energy: 1.257506842765025
Energy: 1.3969726810624064
Energy: 1.270456092135718

minimum gb energy = 1.257506842765025 eV
minimum distance =  2.20965926534546 Angstroms
sigma value = 101


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

Energy: 1.8274378118146322
Energy: 2.696842268089499
Energy: 1.2374651650158561
Energy: 1.2772843131155485
Energy: 2.7722044464245554
Energy: 1.1963974482186466
Energy: 1.5104829539424502
Energy: 1.2576374681416886
Energy: 1.2311188583310426
Energy: 1.2299615324305018
Energy: 1.2418689467810564
Energy: 1.2327873154658975
Energy: 1.457556392221481
Energy: 1.2335194591943255
Energy: 1.2382342381529372
Energy: 1.2791620834120416
Energy: 1.2297310872639085
Energy: 1.22865231186492
Energy: 1.3117192513617186
Energy: 1.2307243799800855
Energy: 1.2322921175762973
Energy: 1.230964888305264
Energy: 1.2293931260784925
Energy: 1.2329115046303811
Energy: 1.2378860051367304
Energy: 1.2747709137471372
Energy: 1.2311494387018154
Energy: 1.2370294143821188
Energy: 1.274112300400816
Energy: 1.245888356738475
Energy: 1.264178583460772
Energy: 1.231566421949846
Energy: 1.2585382850536968
Energy: 1.2399871339808646
Energy: 1.2363476730263745
Energy: 1.2319117809239972
Energy: 1.264504913014777
Energy: 1.2221104091342283
Energy: 1.2168443145392873
Energy: 1.288017064967927
Energy: 1.218933444392292
Energy: 1.2169011183299205
Energy: 1.2207180654420497
Energy: 1.233107057938649
Energy: 1.2341726182464634
Energy: 1.2316472729199084
Energy: 1.2174346559663953
Energy: 1.232691114598259
Energy: 1.2210158640654276
Energy: 1.2303672766432436
Energy: 1.2299815474295521
Energy: 1.230880216301223
Energy: 1.2305763738780178
Energy: 1.2430820260531286
Energy: 1.2196515524610618
Energy: 1.23226084888304
Energy: 1.232280394991144
Energy: 1.228565579058847
Energy: 1.2303245664149778
Energy: 1.2315260208715222
Energy: 1.4264763539990972
Energy: 1.208264836382963
Energy: 1.2132260230287935
Energy: 1.2742422458497407
Energy: 1.2053098182873765
Energy: 1.2033048423711774
Energy: 1.453922555780392
Energy: 1.2276779585583621
Energy: 1.2286416585377946
Energy: 1.2292767526368136
Energy: 1.2239656274966249
Energy: 1.229443989342013
Energy: 1.2689863211520795
Energy: 1.2581611988206067
Energy: 1.2576903314839445
Energy: 1.216024266798251
Energy: 1.280464393612083
Energy: 1.257347861999978
Energy: 1.3067242014496867
Energy: 1.2301874682693448
Energy: 1.2278088068091328
Energy: 1.2161845945030627
Energy: 1.2592325668648647
Energy: 1.227432633262434
Energy: 1.4585400834274405
Energy: 1.2303612345300372
Energy: 1.2360245718939638
Energy: 1.229974474112606
Energy: 1.2264723997690554
Energy: 1.230332963639529
Energy: 1.4547109553433544
Energy: 1.2315929903432938
Energy: 1.2322493816937348
Energy: 1.2572081506809785
Energy: 1.2427508602071689
Energy: 1.233796274216606
Energy: 1.2930621555857413
Energy: 2.604066705723978
Energy: 1.2395703865713787
Energy: 1.1921240219060385
Energy: 2.628278905603746
Energy: 1.1904759994690772
Energy: 1.4501019070881949
Energy: 1.231806211867909
Energy: 1.231090418786331
Energy: 1.2366523940043517
Energy: 1.2776863572928157
Energy: 1.2386690155653841
Energy: 1.4935235283800588
Energy: 1.2300867342187245
Energy: 1.231093728893752
Energy: 1.2300492500298497
Energy: 1.228984739432075
Energy: 1.2314918713965355
Energy: 1.4233781958573282
Energy: 1.2306488584853446
Energy: 1.2321351239438194
Energy: 1.2312197574973622
Energy: 1.229295802135593
Energy: 1.2332708960373793
Energy: 1.23741071810129
Energy: 1.2303827815503081
Energy: 1.2302745210372872
Energy: 1.2408544932218588
Energy: 1.2278228701517002
Energy: 1.237067276787339
Energy: 1.3095152355247617
Energy: 1.2362042989027875
Energy: 1.2356306710689573
Energy: 1.2407179397776706
Energy: 1.231580296410486
Energy: 1.2346421239960315
Energy: 1.2640691298601394
Energy: 1.2214748457964364
Energy: 1.219641802407467
Energy: 1.2273441626895176
Energy: 1.2189537121039724
Energy: 1.2488205844742695
Energy: 1.2216030808900649
Energy: 1.2179016617454075
Energy: 1.2183271488350267
Energy: 1.2660965186308435
Energy: 1.2170349604155266
Energy: 1.2300061727460343
Energy: 1.2322257266118726
Energy: 1.2322473459506613
Energy: 1.2328700824455714
Energy: 1.228225156960517
Energy: 1.2322554651296513
Energy: 1.2321223859601467
Energy: 1.2218619808910947
Energy: 1.2308378544020773
Energy: 1.2305323142870472
Energy: 1.2286168204036974
Energy: 1.2301181508679537
Energy: 1.2292243865994323
Energy: 1.3161519778095605
Energy: 1.2072469542757673
Energy: 1.2044620267067239
Energy: 1.2820600840034557
Energy: 1.20658728924868
Energy: 1.2048353520409085
Energy: 1.45446454686155
Energy: 1.202641338999503
Energy: 1.2048641227297807
Energy: 1.2276447496474707
Energy: 1.2005731185855881
Energy: 1.2273578556822666
Energy: 1.2684269362366982
Energy: 1.2293039957895118
Energy: 1.2264634359458617
Energy: 1.2153469728915993
Energy: 1.2584242952847426
Energy: 1.2269527633786368
Energy: 1.2705377133090103
Energy: 1.2573560485284707
Energy: 1.2292735376946193
Energy: 1.2151993337117037
Energy: 1.2586056864094448
Energy: 1.228043926665152
Energy: 1.458221555150696
Energy: 1.2279252318744762
Energy: 1.2283689153060853
Energy: 1.2291807279765243
Energy: 1.2275692517602967
Energy: 1.228824509258846
Energy: 1.455597355788523
Energy: 1.2299572405095156
Energy: 1.2308255632926448
Energy: 1.2328107706247489
Energy: 1.2293875545849238
Energy: 1.2317174380448113
Energy: 1.2950531163041588
Energy: 2.381154206254474
Energy: 1.23725894667377
Energy: 1.1926408649524525
Energy: 1.2322501993735604
Energy: 1.2370225348406734

minimum gb energy = 1.1904759994690772 eV
minimum distance =  2.20886633062713 Angstroms
sigma value = 33


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

Energy: 0.020482218240032237
Energy: 1.428162407424739
Energy: 0.02153256764997296
Energy: 0.02308001968564608
Energy: 1.451100303037866
Energy: 0.021162372564775694
Energy: 0.7247536990430191
Energy: 0.16896944993687973
Energy: 0.16650811893076067
Energy: 0.16906608316529723
Energy: 0.168934586855087
Energy: 0.1666157836911241
Energy: 1.6199310038512134
Energy: 1.062508987246726
Energy: 1.0601657789663066
Energy: 1.0606274976640224
Energy: 1.060389129150265
Energy: 1.0602666330110322
Energy: 0.021697665667072593
Energy: 0.16896944993734753
Energy: 0.16650811892935735
Energy: 0.16906608316436167
Energy: 0.16893458685461923
Energy: 0.16661578369252744

minimum gb energy = 0.020482218240032237 eV
minimum distance =  2.45481037740913 Angstroms
sigma value = 1