Model name: model_name=EAM_Dynamo_PanBorovikovMendelev_2108_AgNi__MO_222110751402_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=3.5181212425231942
cohesive_energy=4.385853711507128
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=[2.35995811658298e-19, 3.0629291365168197e-19, 3.64317342628626e-19, 4.1799827075079597e-19, 4.647433762243799e-19, 5.04419678388756e-19, 5.3805257028968395e-19, 5.65757408644812e-19, 5.8677315955299e-19, 6.040045692516599e-19, 6.19380658408158e-19, 6.330199880933999e-19, 6.451340456230739e-19, 6.5584940295126595e-19, 6.65294234208696e-19, 6.737425115997779e-19, 6.81434561619612e-19, 6.88258231903818e-19, 6.9372485857902595e-19, 6.973217451223559e-19, 6.994686618119159e-19, 7.010580210328439e-19, 7.022163947392259e-19, 7.02636165017334e-19, 7.02184351206546e-19, 7.00753607472384e-19, 6.982285770971999e-19, 6.944923011867119e-19, 6.89439036083076e-19, 6.82955027245278e-19, 6.748255830043619e-19, 6.64640546142024e-19, 6.516805393495979e-19, 6.34739123621682e-19, 6.118312021087499e-19, 5.79781260722214e-19, 5.33539238711706e-19, 4.6451907149562e-19, 3.5786858167677597e-19, 1.8800421276346198e-19, -9.016505356096439e-20, -5.57160128826768e-19, -1.3584086634901678e-18, -2.7622326258477e-18, -5.27785822419012e-18, -9.8780598192636e-18, -1.8342519194349e-17, -3.4577375026670996e-17, -6.75714791036232e-17, -1.398777105960432e-16]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.0178605856988002
Energy: 0.7235165814106469
Energy: 0.01827790289750771
Energy: 0.01806431788631842
Energy: 0.7186587243797954
Energy: 0.01833217996871455
Energy: 0.7235165814113091
Energy: 0.15001334631168414
Energy: 0.1520003812695695
Energy: 0.15007142817685085
Energy: 0.1501922066911031
Energy: 0.15175296244744146
Energy: 0.01827790289684547
Energy: 0.15200038127056287
Energy: 0.15091945392528483
Energy: 0.01827760875015931
Energy: 0.14999296949592342
Energy: 0.150452092082993
Energy: 0.018064317885361857
Energy: 0.15007142817751312
Energy: 0.01827760875078475
Energy: 0.018137427940875264
Energy: 0.1501772016797317
Energy: 0.018367390658137875
Energy: 0.7186587243794642
Energy: 0.1501922066901465
Energy: 0.14999296949526117
Energy: 0.15017720167877513
Energy: 0.15027234612797807
Energy: 0.15015487519497156
Energy: 0.018332179969045667
Energy: 0.1517529624477726
Energy: 0.15045209208332413
Energy: 0.018367390658137875
Energy: 0.15015487519530268
Energy: 0.01807043378798541

minimum gb energy = 0.0178605856988002 eV
minimum distance =  2.48632342579528 Angstroms
sigma value = 1


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

Energy: 1.7456995612552848
Energy: 1.1400301972463718
Energy: 1.1949577795456574
Energy: 1.1575909758930785
Energy: 1.1454470397448397
Energy: 1.2157521830752795
Energy: 1.6505423265658254
Energy: 1.145547979647736
Energy: 1.1811957321408202
Energy: 1.1814196470005243
Energy: 1.145854849770726
Energy: 1.174768360179439
Energy: 1.5590368947025763
Energy: 1.1456097031080261
Energy: 1.1549626800513444
Energy: 1.182882600053892
Energy: 1.1448474375537518
Energy: 1.1372197094939487
Energy: 1.8095436411715906
Energy: 1.1442031687641554
Energy: 1.1441113524150408
Energy: 1.136739524268237
Energy: 1.1450996267112767
Energy: 1.1367804583959646
Energy: 1.6498620149211503
Energy: 1.181191416100835
Energy: 1.1798601062538159
Energy: 1.1834697525237436
Energy: 1.1741157061738656
Energy: 1.1824645851524107
Energy: 1.5830707923273595
Energy: 1.1793522184710385
Energy: 1.1790409828976152
Energy: 1.17798606459168
Energy: 1.1797913136342781
Energy: 1.1765992294161145
Energy: 1.6113365478847956
Energy: 1.1802706604776858
Energy: 1.1783825684975413
Energy: 1.1701329368363853
Energy: 1.18021608195987
Energy: 1.1707531382076017
Energy: 1.5231872938416728
Energy: 1.1813626629958693
Energy: 1.186734226944723
Energy: 1.1751735537361854
Energy: 1.1804498187241272
Energy: 1.180224260788632
Energy: 1.273460005124371
Energy: 1.1761793745119227
Energy: 1.177410643054426
Energy: 1.1799373876212451
Energy: 1.18516691749613
Energy: 1.1756023778248752
Energy: 1.2738354745451403
Energy: 1.1815465017234417
Energy: 1.1807608847238427
Energy: 1.175636499839691
Energy: 1.1845065506934087
Energy: 1.1834283106243129
Energy: 1.263369148698408
Energy: 1.1477331312263948
Energy: 1.1567532409409262
Energy: 1.1975555138459923
Energy: 1.1505634234476712
Energy: 1.1193974680388636
Energy: 1.1448783591732228
Energy: 1.1519592499805429
Energy: 1.1447441215007002
Energy: 1.1447371260031736
Energy: 1.1839598870737456
Energy: 1.1472466490121769
Energy: 1.1458634927684175
Energy: 1.1765250337847726
Energy: 1.1760873027273644
Energy: 1.1459950267408932
Energy: 1.1815029572364726
Energy: 1.185860859764041
Energy: 1.273834924803221
Energy: 1.1367812753356952
Energy: 1.1362615628374475
Energy: 1.1919981423970036
Energy: 1.1368269628535064
Energy: 1.1240952531809445
Energy: 1.1796760549298628
Energy: 1.1821311834661947
Energy: 1.1806096047991534
Energy: 1.1458158059334813
Energy: 1.1838901147757572
Energy: 1.1867580699517515
Energy: 1.1786151636486246
Energy: 1.1449232895292243
Energy: 1.1450016167387715
Energy: 1.1555907261359155
Energy: 1.1595776232577593
Energy: 1.1436409433395331
Energy: 1.520909331838572
Energy: 1.1684805703684262
Energy: 1.1704217847463159
Energy: 1.1359151559253977
Energy: 1.1680747255813857
Energy: 1.1444757392063378
Energy: 1.4302554074260887
Energy: 1.1883183316317179
Energy: 1.1860347277158372
Energy: 1.1877290968203256
Energy: 1.187456667023687
Energy: 1.1875094293492294
Energy: 1.4350851976109342
Energy: 1.18796084419692
Energy: 1.1911507835639454
Energy: 1.181021860844423
Energy: 1.187228983305387
Energy: 1.1859544342182486
Energy: 1.6725541733019755
Energy: 1.1873437310562396
Energy: 1.1872908417141177
Energy: 1.187522071045732
Energy: 1.1882661321973855
Energy: 1.1870851955975068
Energy: 1.6921668103997796
Energy: 1.1523374460020825
Energy: 1.165918986442246
Energy: 1.150870985374539
Energy: 1.1355166816126057
Energy: 1.1518146346100513
Energy: 1.622168634387842
Energy: 1.1553721483223038
Energy: 1.1549208955255592
Energy: 1.1792490288351916
Energy: 1.1523842775982425
Energy: 1.1374838323059846
Energy: 1.6850084107222463
Energy: 1.1455286618263936
Energy: 1.1856005483616427
Energy: 1.1781432114745833
Energy: 1.1454601948591379
Energy: 1.1812353228957062

minimum gb energy = 1.1193974680388636 eV
minimum distance =  2.26626701465435 Angstroms
sigma value = 33


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

Energy: 1.9061273656506381
Energy: 1.1468127135394421
Energy: 1.2083003958726712
Energy: 1.2107028463325173
Energy: 1.1471368728427664
Energy: 1.2078550303538735
Energy: 1.501759380666455
Energy: 1.1457262463292335
Energy: 1.1452860780859748
Energy: 1.1837011911228739
Energy: 1.1456605512570905
Energy: 1.187886651413434
Energy: 1.5567012957014938
Energy: 1.1458751138556411
Energy: 1.1447084528040943
Energy: 1.2228449285417353
Energy: 1.145972152205859
Energy: 1.1464900106776903
Energy: 1.6188948907777825
Energy: 1.1456855156112635
Energy: 1.1455471800096235
Energy: 1.1783363759247911
Energy: 1.1462554467331902
Energy: 1.178524367511994
Energy: 1.5033117137437002
Energy: 1.145561624790165
Energy: 1.186136586577647
Energy: 1.2141160010175918
Energy: 1.1474695216122028
Energy: 1.1853849562189032
Energy: 1.5686456532232564
Energy: 1.1879970704468212
Energy: 1.187752902445419
Energy: 1.1732801773862696
Energy: 1.1473106944630387
Energy: 1.1857299851251808
Energy: 1.5650754417062553
Energy: 1.1891630580494459
Energy: 1.1864523059345553
Energy: 1.1742146749594677
Energy: 1.1926615803251672
Energy: 1.1859387604813654
Energy: 1.5075759731479976
Energy: 1.2067579780427773
Energy: 1.2086259604208327
Energy: 1.1879523659366906
Energy: 1.2064311566677488
Energy: 1.208774004411881
Energy: 1.252855880930069
Energy: 1.2054700794366295
Energy: 1.2235596546280982
Energy: 1.186733913550003
Energy: 1.1811548484259156
Energy: 1.1883924012961131
Energy: 1.2525209529491275
Energy: 1.215774377439446
Energy: 1.2125469911994535
Energy: 1.147404594325361
Energy: 1.2178988096773289
Energy: 1.1856238170611053
Energy: 1.288258731312315
Energy: 1.1316201358091849
Energy: 1.1313819207513764
Energy: 1.2191870294613567
Energy: 1.1326511558734962
Energy: 1.1316197462528232
Energy: 1.1459250566370853
Energy: 1.2085372353268762
Energy: 1.186350198233354
Energy: 1.1460024196643928
Energy: 1.2057819095737472
Energy: 1.1459223707363515
Energy: 1.1459468387740694
Energy: 1.2168502500987262
Energy: 1.210997574778248
Energy: 1.1458066402918803
Energy: 1.216212670702054
Energy: 1.1447075082398182
Energy: 1.3368347199043107
Energy: 1.1787611968414027
Energy: 1.1785958243307793
Energy: 1.1453452739190018
Energy: 1.1781840292238779
Energy: 1.1780914224352306
Energy: 1.2528141329784275
Energy: 1.2121489297408896
Energy: 1.2107628503130377
Energy: 1.1473968809205286
Energy: 1.2143721035258037
Energy: 1.186354194427509
Energy: 1.2549225249583047
Energy: 1.1759984569715336
Energy: 1.1860625498768638
Energy: 1.1875604875811956
Energy: 1.1781132479264609
Energy: 1.188041495355758
Energy: 1.5074663086506406
Energy: 1.1853926243592208
Energy: 1.1856097199620148
Energy: 1.1459237239692
Energy: 1.1826063150579282
Energy: 1.1862273178835332
Energy: 1.3672371214848327
Energy: 1.188061502599473
Energy: 1.1866440781869567
Energy: 1.206166160406396
Energy: 1.1877382736305073
Energy: 1.2062769638053232
Energy: 1.3675124141316497
Energy: 1.185511395360358
Energy: 1.1885837011485867
Energy: 1.2052664679314276
Energy: 1.1859134439092336
Energy: 1.1859531629550735
Energy: 1.4996768969724334
Energy: 1.1896277602279042
Energy: 1.1861992306077052
Energy: 1.1820178358690268
Energy: 1.1901776250272855
Energy: 1.211750591095201
Energy: 1.3661083540325953
Energy: 1.1885051991154376
Energy: 1.1306349513822946
Energy: 1.1307412886907247
Energy: 1.1455471981212408
Energy: 1.131158778842867
Energy: 1.3659236874958485
Energy: 1.1455467019167231
Energy: 1.1449036648072113
Energy: 1.2057753449868214
Energy: 1.1457680360910383
Energy: 1.1890241461816262
Energy: 1.57539388739559
Energy: 1.1460997526608936
Energy: 1.1447062463403732
Energy: 1.21716129396598
Energy: 1.14600232333544
Energy: 1.1463066708752074
Energy: 1.6340910363565335
Energy: 1.1445705187746757
Energy: 1.14475132153485
Energy: 1.1829237759921076
Energy: 1.1608102809127623
Energy: 1.2226686812953584
Energy: 1.5748448142939158
Energy: 1.1444177701395173
Energy: 1.1868047319409292
Energy: 1.2173755788489595
Energy: 1.1464197205949294
Energy: 1.184676112979936
Energy: 1.5653754118919527
Energy: 1.1855205872014398
Energy: 1.1884452238157417
Energy: 1.1895494916114961
Energy: 1.1857677086263054
Energy: 1.1859838902984081
Energy: 1.622061840607285
Energy: 1.1851185890608338
Energy: 1.1853868432679622
Energy: 1.1826191084872644
Energy: 1.146616253071079
Energy: 1.1853805323754376
Energy: 1.5027574581592642
Energy: 1.2053742679335941
Energy: 1.2069266444147069
Energy: 1.1869342014965305
Energy: 1.2051171679790482
Energy: 1.1862777855459508
Energy: 1.253565832183308
Energy: 1.2054726415568349
Energy: 1.2068064102684986
Energy: 1.1882797263310325
Energy: 1.205537282305218
Energy: 1.18660492947553
Energy: 1.2540883774966554
Energy: 1.2111945300667917
Energy: 1.20939286771382
Energy: 1.1883392771371744
Energy: 1.2151829631280766
Energy: 1.1866646436627164
Energy: 1.3690686522865971
Energy: 1.1304379791779995
Energy: 1.131585916360657
Energy: 1.1446765244392185
Energy: 1.1247646658634085
Energy: 1.1306631990746436
Energy: 1.1454238294744272
Energy: 1.1768716361978158
Energy: 1.1323232201052573
Energy: 1.1454474885841823
Energy: 1.2151158261448525
Energy: 1.1877685095623074
Energy: 1.14775301404629
Energy: 1.2126157220429454
Energy: 1.2122768845260594
Energy: 1.1481721721363778
Energy: 1.215621582714586
Energy: 1.144477617332533
Energy: 1.1454472863506977
Energy: 1.1833224679257115
Energy: 1.1833514647371282
Energy: 1.1454308937365842
Energy: 1.1790288546315064
Energy: 1.182292629065229
Energy: 1.2524274384121368
Energy: 1.2160334332570002
Energy: 1.214037437333034
Energy: 1.1466649943769278
Energy: 1.2177966595428906
Energy: 1.1862670710744734
Energy: 1.2507572256680035
Energy: 1.187821670321506
Energy: 1.1865630436915697
Energy: 1.1888844363562279
Energy: 1.189422390742423
Energy: 1.1887446412058094
Energy: 1.2516740691825632
Energy: 1.1857320469239607
Energy: 1.185237277577749
Energy: 1.1449805284574708
Energy: 1.1863596625737558
Energy: 1.1851422901393438
Energy: 1.3671925685438957
Energy: 1.1864053100267216
Energy: 1.1895133772480522
Energy: 1.1817679264641316
Energy: 1.1855654685240107
Energy: 1.222676687844471
Energy: 1.3668588111988118
Energy: 1.1877479045521389
Energy: 1.186141827204506
Energy: 1.2061693171831287
Energy: 1.1878826126251838
Energy: 1.2074732701737938
Energy: 1.5044379045272303
Energy: 1.1851824238811388
Energy: 1.1877455029019093
Energy: 1.2116451737674716
Energy: 1.1854534265091186
Energy: 1.1858162173170668
Energy: 1.3666740491184448
Energy: 1.1446285468185788
Energy: 1.1307686170100322
Energy: 1.1241144366623061
Energy: 1.1448284408298808
Energy: 1.1311746185250147

minimum gb energy = 1.1241144366623061 eV
minimum distance =  2.32125357667189 Angstroms
sigma value = 51


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

Energy: 1.7967176917841239
Energy: 1.183976911788499
Energy: 1.1896577584392398
Energy: 1.2253345739155908
Energy: 1.184836390906685
Energy: 1.2367886427010724
Energy: 1.5112125292717176
Energy: 1.1849295484941895
Energy: 1.1846399674596155
Energy: 1.2529758442701493
Energy: 1.1851954400065936
Energy: 1.1846866227210946
Energy: 1.5234788622506457
Energy: 1.1842659278690173
Energy: 1.1843953566433911
Energy: 1.2025458072048691
Energy: 1.1843023828083572
Energy: 1.1842424848243034
Energy: 1.6370024715246625
Energy: 1.1843443940100005
Energy: 1.1855488430621084
Energy: 1.1948643394164131
Energy: 1.1837151896059996
Energy: 1.1935113622978102
Energy: 1.5104925171568846
Energy: 1.2406323909583308
Energy: 1.242319517174506
Energy: 1.2523589620098678
Energy: 1.2383785505993914
Energy: 1.2412037950300077
Energy: 1.3862942352141128
Energy: 1.2407343887040565
Energy: 1.2407886552905072
Energy: 1.239702052287814
Energy: 1.2402170917642166
Energy: 1.2400282832990894
Energy: 1.385684878533742
Energy: 1.2534618149896999
Energy: 1.2410434679575584
Energy: 1.2392742970732022
Energy: 1.2533814586824787
Energy: 1.2410878334078435
Energy: 1.3845347396850727
Energy: 1.1629652604497427
Energy: 1.162917304102816
Energy: 1.1856051107450294
Energy: 1.1540985732784312
Energy: 1.1627590355831332
Energy: 1.184909762147385
Energy: 1.1627697674321262
Energy: 1.1628118962521345
Energy: 1.1849632002154682
Energy: 1.164640508119082
Energy: 1.1847905959413378
Energy: 1.1857719143887764
Energy: 1.1854326019206454
Energy: 1.188516733654436
Energy: 1.1856651068625434
Energy: 1.2532815009505605
Energy: 1.1851145186088106
Energy: 1.2613429748183687
Energy: 1.1826220300953587
Energy: 1.1827181694278213
Energy: 1.2614943803931185
Energy: 1.1955623164618867
Energy: 1.1828977939722123
Energy: 1.2246357832664914
Energy: 1.1854231437292457
Energy: 1.1842061323304711
Energy: 1.1850090419424104
Energy: 1.2371928218796435
Energy: 1.1858022889842026
Energy: 1.2234001589588746
Energy: 1.202078163989866
Energy: 1.1978856406604286
Energy: 1.196415098001869
Energy: 1.2131581425394378
Energy: 1.1975762250843072
Energy: 1.2248111537532913
Energy: 1.2018406286659669
Energy: 1.2012118363855613
Energy: 1.1850239994741438
Energy: 1.2018207827135745
Energy: 1.2010318635701323
Energy: 1.4831984273003422
Energy: 1.2027103373410504
Energy: 1.201433365845342
Energy: 1.2281532246572102
Energy: 1.2020775354467161
Energy: 1.2009654150941422
Energy: 1.4824588922423994
Energy: 1.2015055748373835
Energy: 1.2014347274581643
Energy: 1.2293047131041546
Energy: 1.201496395894419
Energy: 1.2273147597625325
Energy: 1.51037054800364
Energy: 1.203030548188291
Energy: 1.2020578979532155
Energy: 1.2378218045365301
Energy: 1.203141138688698
Energy: 1.201975154227359
Energy: 1.785311573460621
Energy: 1.1851219512347129
Energy: 1.1953653792976484
Energy: 1.1536900004175263
Energy: 1.1849904209993285
Energy: 1.1954148957710586

minimum gb energy = 1.1536900004175263 eV
minimum distance =  2.30185362681097 Angstroms
sigma value = 19


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

Energy: 1.5258295757991776
Energy: 1.0760004673356058
Energy: 1.1303863119395254
Energy: 1.2871303391283144
Energy: 1.0759604342584417
Energy: 1.2873144720602523
Energy: 1.3050347435913174
Energy: 1.0989704392810848
Energy: 1.0984763753839808
Energy: 1.139921110695298
Energy: 1.0989525722241613
Energy: 1.09868866976016
Energy: 1.3038704375813754
Energy: 1.0982779161892706
Energy: 1.098433422889055
Energy: 1.1391401723953092
Energy: 1.0982738591104118
Energy: 1.0987984378772908
Energy: 1.2957313993873987
Energy: 1.0986064027989357
Energy: 1.0986366570928079
Energy: 1.13458922268532
Energy: 1.0981921520921163
Energy: 1.098397338635825
Energy: 1.2515447141106317
Energy: 1.0982750138399557
Energy: 1.0985259184232916
Energy: 1.1391159246921687
Energy: 1.0979880942243605
Energy: 1.1404305574166496
Energy: 1.3041153494057465
Energy: 1.0643516759222866
Energy: 1.1386573111405522
Energy: 1.140039470523007
Energy: 1.0642625824892453
Energy: 1.138587719816381
Energy: 1.3038454605520846
Energy: 1.0768249895041013
Energy: 1.1400082104774572
Energy: 1.1396296081655222
Energy: 1.0761552983521625
Energy: 1.1399386265727276
Energy: 1.2511045732192863
Energy: 1.0646914043489546
Energy: 1.0645820609208612
Energy: 1.2517175443488515
Energy: 1.0649012899588828
Energy: 1.064013659050335
Energy: 1.0983707473716262
Energy: 1.0649519548458328
Energy: 1.0645613571993569
Energy: 1.0984390175462664
Energy: 1.0651087187891248
Energy: 1.0645189205214354
Energy: 1.098884981938509
Energy: 1.140657168518014
Energy: 1.0985831962517567
Energy: 1.09929444084069
Energy: 1.139120514554321
Energy: 1.0986111490583397
Energy: 1.0966381419359883
Energy: 1.135001401302903
Energy: 1.1365979690097514
Energy: 1.097453664530994
Energy: 1.1346066295206538
Energy: 1.0983563309101765
Energy: 1.2518112790342946
Energy: 1.139126334659117
Energy: 1.1387152719564182
Energy: 1.0984365778449672
Energy: 1.1396298803504261
Energy: 1.0980962534894456
Energy: 1.0639174050020284
Energy: 1.1385483172782442
Energy: 1.1402684184536371
Energy: 1.0643173621885242
Energy: 1.1395993354380458
Energy: 1.140489418381814
Energy: 1.2522484868853807
Energy: 1.1405092466118654
Energy: 1.139823427478625
Energy: 1.0983457073942053
Energy: 1.1403807151155836
Energy: 1.1390723706470303
Energy: 1.5296918737231582
Energy: 1.0983284867988061
Energy: 1.0983087033286876
Energy: 1.0647791762239254
Energy: 1.0984219271133535
Energy: 1.0646872289358198
Energy: 1.5311333259426014
Energy: 1.0987877348087367
Energy: 1.0639824766877448
Energy: 1.0653273402545553
Energy: 1.098853661814658
Energy: 1.06422691726883
Energy: 1.2507463431260581
Energy: 1.098747865789877
Energy: 1.0985128455806654
Energy: 1.1398499420276986
Energy: 1.0986488794767477
Energy: 1.0987710249619906
Energy: 1.2926429098271905
Energy: 1.0985789078012247
Energy: 1.0987766252343583
Energy: 1.1572513150630406
Energy: 1.098440217477928
Energy: 1.0986896019001384
Energy: 1.2923312864434582
Energy: 1.0987224099266544
Energy: 1.0986846417298748
Energy: 1.1512876654990458
Energy: 1.0984764081263727
Energy: 1.0982372275527448
Energy: 1.3042930066934657
Energy: 1.0644065358486556
Energy: 1.140651551456225
Energy: 1.138881212854388
Energy: 1.0641393147808182
Energy: 1.138831665332162
Energy: 1.3015730407960733
Energy: 1.0985726484706146
Energy: 1.1387660315069488
Energy: 1.1398048585790441
Energy: 1.0981564589995503
Energy: 1.1401158574568186
Energy: 1.3034769847725656
Energy: 1.1396757431969955
Energy: 1.1391211875202885
Energy: 1.139361472189313
Energy: 1.0758627491335144
Energy: 1.1389603478926498
Energy: 1.2523199169491332
Energy: 1.0648312553489088
Energy: 1.0645253319389165
Energy: 1.2527063086042791
Energy: 1.0646864155704334
Energy: 1.0651326184410916
Energy: 1.0991754085993983
Energy: 1.0992161873175772
Energy: 1.0988481695711236
Energy: 1.0992498640009463
Energy: 1.1194000868449736
Energy: 1.0985627212780693
Energy: 1.0981931545877999
Energy: 1.138309549889301
Energy: 1.0987100815292474
Energy: 1.0982330408993277
Energy: 1.1391012236458757
Energy: 1.0987362460192585
Energy: 1.253379033806931
Energy: 1.1340121741777298
Energy: 1.1512602432018708
Energy: 1.0985782387894074
Energy: 1.1345337944861253
Energy: 1.09823197843492
Energy: 1.3043088785275725
Energy: 1.1390604820029278
Energy: 1.1394032675911712
Energy: 1.0978894044239487
Energy: 1.1393863978252108
Energy: 1.138836476322145
Energy: 1.0643817146087777
Energy: 1.13941044890577
Energy: 1.140214436255194
Energy: 1.0642618467513933
Energy: 1.1399174568176695
Energy: 1.138036594317898
Energy: 1.251260232871026
Energy: 1.1391312167920604
Energy: 1.1411414582056252
Energy: 1.0762830588607744
Energy: 1.1396443261668892
Energy: 1.138722193435583
Energy: 1.5293242864615342
Energy: 1.0983398508768196
Energy: 1.0641608572810053
Energy: 1.064508958772867
Energy: 1.0982095042195221
Energy: 1.0639868039535594

minimum gb energy = 1.0639174050020284 eV
minimum distance =  2.32974470701467 Angstroms
sigma value = 27


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

Energy: 1.3074627038150752
Energy: 1.1700964003398484
Energy: 1.2186693195461458
Energy: 1.1635640548629478
Energy: 1.1698104136686516
Energy: 1.218756324765621
Energy: 1.3071690771723783
Energy: 1.1458834499283088
Energy: 1.1454305607109105
Energy: 1.0978070760154792
Energy: 1.146182045914078
Energy: 1.1457391778618504
Energy: 1.183590799292365
Energy: 1.143399254704915
Energy: 1.1432302163744377
Energy: 1.1418582679765235
Energy: 1.1432813615502793
Energy: 1.1444122688159726
Energy: 1.185855978756534
Energy: 1.142104984112614
Energy: 1.1420034105264834
Energy: 1.0990495614086397
Energy: 1.1423744585991473
Energy: 1.1052372103347219
Energy: 1.3070836987623018
Energy: 1.029762209660012
Energy: 1.1056385217119094
Energy: 1.1451143653800053
Energy: 1.0307793548938637
Energy: 1.1059270910177303
Energy: 1.144799851149371
Energy: 1.1693505175653551
Energy: 1.0303837648740128
Energy: 1.1449544316003841
Energy: 1.165500199028959
Energy: 1.047307177574886
Energy: 1.1464693704025541
Energy: 1.10524376653135
Energy: 1.1069632803954677
Energy: 1.1465879539553303
Energy: 1.097641355615917
Energy: 1.1449238698118496
Energy: 1.210797309525016
Energy: 1.145188434484021
Energy: 1.073377751580465
Energy: 1.2105881856704679
Energy: 1.1441910530962915
Energy: 1.112611591609197
Energy: 1.1842255168290514
Energy: 1.091541968664205
Energy: 1.1280585034735464
Energy: 1.1458276923097461
Energy: 1.091444804537114
Energy: 1.1047491865607753
Energy: 1.1856799102565023
Energy: 1.1026332083047121
Energy: 1.0988403217488316
Energy: 1.1209430034341914
Energy: 1.0926924632113995
Energy: 1.0991926812640969
Energy: 1.1835357964390736
Energy: 1.1161764126719964
Energy: 1.1192656260996274
Energy: 1.0916065180428887
Energy: 1.1151735884171852
Energy: 1.1171440661386638
Energy: 1.183693535781966
Energy: 1.1220896318038083
Energy: 1.1000935666133618
Energy: 1.1009327079409887
Energy: 1.1476790317144925
Energy: 1.0995866546987114

minimum gb energy = 1.029762209660012 eV
minimum distance =  2.29707977056493 Angstroms
sigma value = 9


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

Energy: 2.119828216477133
Energy: 1.247233588305053
Energy: 0.9495114513773997
Energy: 1.049089902295777
Energy: 1.2462891076838132
Energy: 1.0454405031013865
Energy: 1.0254884040555456
Energy: 1.0163914641468212
Energy: 1.0141095270148084
Energy: 0.9971226152662818
Energy: 1.0160715697045095
Energy: 1.0627494959822612
Energy: 1.0266932076073192
Energy: 1.008792396713592
Energy: 1.0068588371847749
Energy: 1.0355642659576
Energy: 1.0140978538556367
Energy: 0.9909223405099629
Energy: 1.0264593789516603
Energy: 1.0423750915883196
Energy: 1.012927909681876
Energy: 1.0040078645571928
Energy: 1.0919372435683528
Energy: 0.9896883381749547
Energy: 1.025034078047229
Energy: 1.06759626229969
Energy: 1.0248541855375335
Energy: 1.069875042129407
Energy: 1.0680883231632794
Energy: 0.998550295981174
Energy: 1.0700341676874463
Energy: 0.9767285587837085
Energy: 1.0184396124271742
Energy: 1.070064000844876
Energy: 0.9813628447639672
Energy: 1.0691945495250887
Energy: 1.0690644334908106
Energy: 1.0145598342620565
Energy: 1.0120818842254702
Energy: 1.0703120433544286
Energy: 1.0742680938074671
Energy: 1.071174866270127
Energy: 1.0891625143714745
Energy: 1.0089181279479382
Energy: 1.090377708729866
Energy: 1.089001553228219
Energy: 1.0013611942528848
Energy: 1.0915258653426574
Energy: 1.1813146714269664
Energy: 1.0729735960575966
Energy: 1.0111054390570415
Energy: 1.0909281396404622
Energy: 1.0730391753043234
Energy: 0.9972831233147961
Energy: 0.9491227683946402
Energy: 1.1113044932412424
Energy: 1.0664420525216627
Energy: 0.9803918270581843
Energy: 1.0895238292416682
Energy: 1.085196985736128
Energy: 0.9496281802194988
Energy: 1.0687792217356555
Energy: 1.0682214830061394
Energy: 1.0392010177585833
Energy: 1.068623796416172
Energy: 1.0702939978436399
Energy: 1.180892067661461
Energy: 1.070223123434632
Energy: 1.070214703635828
Energy: 1.0240418566370189
Energy: 1.0703249537268864
Energy: 1.021960535301758
Energy: 1.3345173719602343
Energy: 1.0750832945048665
Energy: 1.0583556251432296
Energy: 1.0252241600176133
Energy: 1.0762098601436572
Energy: 1.0092001983020857
Energy: 1.1812354443059794
Energy: 1.0701232065989081
Energy: 0.98221226978046
Energy: 1.0611190111420212
Energy: 1.0707429982978323
Energy: 1.0005340845642674
Energy: 1.015014364704463
Energy: 1.015838268423533
Energy: 1.019916826179085
Energy: 1.015370124150119
Energy: 1.0166827370141727
Energy: 1.0621987747193835
Energy: 1.0146667386561008
Energy: 0.9823474605100678
Energy: 0.9943997064373972
Energy: 1.0160321529206644
Energy: 1.0409049598952127
Energy: 1.0140374863713224
Energy: 1.0133166279162533
Energy: 1.009396206060816
Energy: 0.9938168463901614
Energy: 1.0134692476318787
Energy: 1.0202496294079246
Energy: 1.0633152504599173
Energy: 1.1254955238846147
Energy: 1.0323520429939024
Energy: 1.024387630351703
Energy: 1.0156766355231013
Energy: 1.0341865135795305
Energy: 1.069438341050793
Energy: 1.0274894539065613
Energy: 0.9926900246472443
Energy: 0.988722113768412
Energy: 1.0137074445193508
Energy: 1.0400504137057052
Energy: 0.992438816395125
Energy: 1.0248343537916338
Energy: 0.9893774324253312
Energy: 0.9953619577552915
Energy: 0.987574880050526
Energy: 0.9882056660519315
Energy: 0.9808638492711387
Energy: 1.026665641365244
Energy: 0.9876370284020912
Energy: 0.9825119134560257
Energy: 1.0598935809378829
Energy: 0.9880105855358184
Energy: 0.9891075124913812
Energy: 1.0810296279428129
Energy: 1.0155005258743224
Energy: 1.065344609106466
Energy: 1.066703277076901
Energy: 1.0148417949916277
Energy: 1.0289874820693268
Energy: 1.0788284753037283
Energy: 1.013545713047319
Energy: 1.0108633938210523
Energy: 1.0665821451871014
Energy: 1.0131903039266366
Energy: 0.9589082245051651
Energy: 1.0259256418202223
Energy: 1.014984855945375
Energy: 1.0161678453497731
Energy: 1.0553853545520768
Energy: 1.0138590322294285
Energy: 0.9904210810347428
Energy: 1.3453916254973866
Energy: 1.015215505985966
Energy: 1.0626533769413407
Energy: 1.0046284004121517
Energy: 1.0144518548536625
Energy: 1.0593453834663409
Energy: 1.0247627165760345
Energy: 1.0142082958486576
Energy: 0.9907236726885273
Energy: 1.0714180536943043
Energy: 1.0135387392397437
Energy: 1.0013768679678114
Energy: 1.0110790959526488
Energy: 0.9302292303141203
Energy: 1.0443743991276415
Energy: 1.0112052359645356
Energy: 0.929533657697354
Energy: 0.9840354448689435
Energy: 1.071639261445111
Energy: 1.0120818228927249
Energy: 0.9961692337746288
Energy: 1.071398804580286
Energy: 1.0249572048253919
Energy: 1.0700480248621977
Energy: 1.0709143267449768
Energy: 1.0486145596392555
Energy: 1.00021147279041
Energy: 1.0703156516767864
Energy: 1.0722497426368618
Energy: 1.0705819103158296
Energy: 1.0307888361922328
Energy: 1.0105498262484156
Energy: 1.0203165604367281
Energy: 1.0592598083759963
Energy: 1.0016034337187598
Energy: 1.0900199730024112
Energy: 0.9500229687620585
Energy: 1.069077270812354
Energy: 1.0081450299045058
Energy: 1.0560577360982975
Energy: 1.0722784764837607
Energy: 1.0107348706373018
Energy: 0.9559020242796745
Energy: 1.0700472481269745
Energy: 1.0701072924144899
Energy: 0.9803189480115407
Energy: 1.0897459154246112
Energy: 1.0945844505681968
Energy: 1.179919700582963
Energy: 1.0699526254175955
Energy: 1.070109605321158
Energy: 1.0736859584829002
Energy: 1.0711793633603985
Energy: 1.0699080325011836
Energy: 1.0198748217490536
Energy: 1.0694615736594484
Energy: 1.0694385459995568
Energy: 1.0357352924505847
Energy: 1.0695911188232867
Energy: 1.013705766894399
Energy: 1.0156578281458335
Energy: 1.070284512992051
Energy: 1.0706344462732318
Energy: 1.053956772438669
Energy: 1.0707082068433693
Energy: 1.01051774766668
Energy: 1.0247500764908255
Energy: 1.0206989930552253
Energy: 0.9935350942557731
Energy: 1.0326500779273593
Energy: 1.0220147763476706
Energy: 1.0277696049617986
Energy: 1.0355869690897603
Energy: 1.0414877605404518
Energy: 0.9903665208431882
Energy: 1.0374484087921034
Energy: 1.0536558239750615
Energy: 1.0130476821090588
Energy: 1.0136347132071697
Energy: 0.9939618119291941
Energy: 0.9949848334567096
Energy: 1.0135853947578437
Energy: 0.9937139788349424
Energy: 1.0085391600506333
Energy: 1.0804959621003438
Energy: 0.997245667154803
Energy: 1.001950711551641
Energy: 1.0803818716985623
Energy: 0.9961896283763697
Energy: 1.168470986695311
Energy: 1.0255918972487188
Energy: 0.9871491809855364
Energy: 0.9912633764110946
Energy: 1.0133373822946534
Energy: 0.9872624561563392
Energy: 0.9965293341592915
Energy: 1.0244006659197875
Energy: 0.9961410087203902
Energy: 0.9813975129693409
Energy: 0.9847651340753438
Energy: 0.9917161187680279
Energy: 0.9906146260618355
Energy: 1.0429183667921489
Energy: 0.9908277782212076
Energy: 0.9950908557974995
Energy: 1.01068172183332
Energy: 0.9894106120834801
Energy: 0.9790557550634841
Energy: 1.0788904343671666
Energy: 1.0161678360315705
Energy: 1.0101097741346732
Energy: 1.0666510753765635
Energy: 1.0133079270018925
Energy: 0.9519340495643922

minimum gb energy = 0.929533657697354 eV
minimum distance =  2.270237741302 Angstroms
sigma value = 57


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

Energy: 0.5656608642210114
Energy: 0.5904341739604252
Energy: 0.6296314303884302
Energy: 0.5685279807440887
Energy: 0.5900384033449709
Energy: 0.5680609867431002
Energy: 0.685945097382576
Energy: 0.595348053091053
Energy: 0.596667894877758
Energy: 0.6265828035551144
Energy: 0.6304052234460682
Energy: 0.6212742947222994
Energy: 0.6863111872038917
Energy: 0.6316698601024804
Energy: 0.5956564837698972
Energy: 0.6292633453877737
Energy: 0.62808926945244
Energy: 0.6172389940607605
Energy: 0.686012864874633
Energy: 0.6319535010990136
Energy: 0.5953514020045393
Energy: 0.6303494084744508
Energy: 0.6333520485128222
Energy: 0.6163950703124976
Energy: 0.6839615305778135
Energy: 0.5699175147457543
Energy: 0.6038297392557979
Energy: 0.6880647489239051
Energy: 0.5671819105196533
Energy: 0.6163611341507506
Energy: 0.6272047325747389
Energy: 0.5680120406122059
Energy: 0.569091988943811
Energy: 0.5918838121896951
Energy: 0.5669893135370605
Energy: 0.5685561943673356
Energy: 0.6227884473252443
Energy: 0.595325861753103
Energy: 0.6263224703578059
Energy: 0.6246660289090324
Energy: 0.5945532656177387
Energy: 0.6238697695978828
Energy: 0.6270546679608434
Energy: 0.5938270489003774
Energy: 0.5939944922210083
Energy: 0.627408128819437
Energy: 0.5953307160386303
Energy: 0.5980563905874962
Energy: 0.6837024069330209
Energy: 0.582133656512592
Energy: 0.6234992403232479
Energy: 0.6298303217864641
Energy: 0.6299247414267417
Energy: 0.6281787758970012
Energy: 0.5664546501388911
Energy: 0.6403733672614337
Energy: 0.5687800820069054
Energy: 0.5667201353488247
Energy: 0.63128691195525
Energy: 0.6012005785080561
Energy: 0.5664693957561635
Energy: 0.597081580533988
Energy: 0.6161907934630153
Energy: 0.5666998774958957
Energy: 0.5954558761258738
Energy: 0.5680034771344745
Energy: 0.6864235835535293
Energy: 0.6434384230456712
Energy: 0.6151273545001138
Energy: 0.62659555355723
Energy: 0.6278128748546967
Energy: 0.615332410339074
Energy: 0.6863026082928854
Energy: 0.6591271292052361
Energy: 0.640780555554123
Energy: 0.5955193040304848
Energy: 0.6871884156667906
Energy: 0.5910557440449434
Energy: 0.6847801507585246
Energy: 0.6404560873648725
Energy: 0.6152530350159218
Energy: 0.6298523968895609
Energy: 0.6300464704452647
Energy: 0.6164956969960544
Energy: 0.6860961498505815
Energy: 0.5675892104894945
Energy: 0.568189353872444
Energy: 0.6295018414557925
Energy: 0.5719975681850924
Energy: 0.5692825429810722
Energy: 0.625711007097782
Energy: 0.6192916154920987
Energy: 0.6182701458548635
Energy: 0.6264955842256309
Energy: 0.5676157325864376
Energy: 0.6353849656119732
Energy: 0.6269079540265063
Energy: 0.5818105745226071
Energy: 0.5813348344901007
Energy: 0.6274381841653438
Energy: 0.6295499117844456
Energy: 0.5974771306901085
Energy: 0.6861321504960461
Energy: 0.5940596999035717
Energy: 0.6166469594507569
Energy: 0.6866685829058367
Energy: 0.5954062605838398
Energy: 0.595552005564127
Energy: 0.5666762292742625
Energy: 0.5961093235876226
Energy: 0.6248231896629312
Energy: 0.5667904997157932
Energy: 0.6323301768938369
Energy: 0.6178214499256245

minimum gb energy = 0.5656608642210114 eV
minimum distance =  2.34152612645246 Angstroms
sigma value = 11


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

Energy: 1.5039730681214212
Energy: 0.8923924389369805
Energy: 0.8992785853050359
Energy: 1.0763976350150757
Energy: 1.0763007142626635
Energy: 0.9992313292458338
Energy: 0.9010202562503625
Energy: 0.9220857949592485
Energy: 0.9143104134307363
Energy: 0.8922374923956088
Energy: 0.900394993048231
Energy: 0.9158048920353682
Energy: 0.89642658346434
Energy: 0.9090744770979781
Energy: 0.9116493174564704
Energy: 0.8986155817637346
Energy: 0.906039488936718
Energy: 0.9144438617079151
Energy: 0.8965458353607992
Energy: 0.916941907757078
Energy: 0.9197271927033799
Energy: 0.8990140120526806
Energy: 0.8991450959214895
Energy: 0.911758947937993
Energy: 0.9003222302134691
Energy: 0.9977210345137887
Energy: 0.9941189514528896
Energy: 0.9005374672668816
Energy: 0.9701925588027651
Energy: 0.9673627782146375
Energy: 1.152924058915556
Energy: 0.9631277627973891
Energy: 0.9530240764098097
Energy: 0.9014154766015812
Energy: 0.8943877759674378
Energy: 0.9932081954666984
Energy: 0.9515763000865745
Energy: 0.9149444100709418
Energy: 0.9157019918207041
Energy: 0.9026843993606538
Energy: 0.892754731751216
Energy: 0.9107591927597891
Energy: 0.9241362861061678
Energy: 0.9896605215203436
Energy: 0.9855779732129853
Energy: 0.9298413900941255
Energy: 0.9906645527182605
Energy: 0.986549401144998
Energy: 1.1531502190016694
Energy: 0.9160793169645733
Energy: 0.9672165682269439
Energy: 0.9059982976817457
Energy: 0.908778515490498
Energy: 0.9658492997007146
Energy: 1.1668842372894406
Energy: 0.9505340194988025
Energy: 0.9995170380748154
Energy: 0.8902973878860414
Energy: 0.9085928972195971
Energy: 0.9540733760295421
Energy: 1.207447106866506
Energy: 0.947427487954614
Energy: 0.9966475967097351
Energy: 0.8945591316254207
Energy: 0.9516294648804883
Energy: 0.9955102586717395
Energy: 1.048525974215857
Energy: 0.874593207830165
Energy: 0.9092411900657685
Energy: 0.9879493042916999
Energy: 0.8788872838904211
Energy: 0.9156882154993117
Energy: 1.1166002794010672
Energy: 0.8755329812151292
Energy: 1.0186699824888505
Energy: 1.1169800233176328
Energy: 0.8780166773365186
Energy: 0.9864901658850203
Energy: 1.0174971690208787
Energy: 0.9980486236057001
Energy: 0.9975513745967678
Energy: 0.9597241966826627
Energy: 0.9989856442291529
Energy: 0.9966465701797605
Energy: 1.0200500784941058
Energy: 0.9194481184060536
Energy: 1.1865804369871795
Energy: 1.0189497255001942
Energy: 0.9180844179126444
Energy: 0.9501996659400246
Energy: 1.4095831499010003
Energy: 0.9985238809479159
Energy: 0.9961572718486174
Energy: 0.9163470065979314
Energy: 0.9680999910880838
Energy: 0.9957291393589547
Energy: 1.3150681057940496
Energy: 0.9458911180974753
Energy: 0.8762629811525819
Energy: 0.8781045353823819
Energy: 1.1934180788924322
Energy: 0.8990946585696036
Energy: 1.427277121531821
Energy: 0.9448503406491556
Energy: 0.9963557106852289
Energy: 0.9339991433970342
Energy: 0.9217417821232221
Energy: 0.9962438895291357
Energy: 1.2101712285257356
Energy: 0.9090090964370695
Energy: 0.9668376740588805
Energy: 0.9074778860899924
Energy: 0.9890114429012526
Energy: 0.9561764562012469
Energy: 1.1170258157819308
Energy: 0.9936909377613625
Energy: 0.9868300821058601
Energy: 0.9002120597108124
Energy: 1.1654189872084
Energy: 0.9920825597165039
Energy: 1.4100514151922257
Energy: 1.000277590531199
Energy: 0.9964916218972704
Energy: 0.9166150510142004
Energy: 0.9975561833226279
Energy: 0.9487590716265385
Energy: 0.8912949123278873
Energy: 0.8974178451614969
Energy: 0.8876209337954495
Energy: 0.9042978097305032
Energy: 0.9269095342541159
Energy: 1.003171956839465
Energy: 0.8981423949470003
Energy: 0.9708594547207724
Energy: 0.9675248482455377
Energy: 0.8941095532274685
Energy: 0.9140892242977784
Energy: 0.9466533889553669
Energy: 0.9870586760838134
Energy: 0.9115255102641114
Energy: 0.9871849854506923
Energy: 0.9883477568357499
Energy: 0.9042586581253423
Energy: 0.9866315566940307
Energy: 0.9903003484028019
Energy: 0.9080039757334518
Energy: 0.9328442454545341
Energy: 0.9597150853559713
Energy: 0.9010056500326279
Energy: 0.9140516954000708
Energy: 1.3761422719969427
Energy: 0.9016780828655399
Energy: 0.9666579713939348
Energy: 0.8820833603101627
Energy: 0.900877289099571
Energy: 0.994135016096595

minimum gb energy = 0.874593207830165 eV
minimum distance =  2.29665607016663 Angstroms
sigma value = 41


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

Energy: 1.6525610631754042
Energy: 1.1770037588558426
Energy: 1.0628713167510595
Energy: 1.3039421691508624
Energy: 1.176854303206283
Energy: 1.304515732428821
Energy: 0.9737598827085748
Energy: 0.9855236855058563
Energy: 0.9879276420633432
Energy: 0.9739812972316709
Energy: 0.9724126183678711
Energy: 0.9749577131593793
Energy: 0.9689391352607465
Energy: 0.9784052420056724
Energy: 0.9770498983570259
Energy: 0.9701785681580634
Energy: 0.9778514783998201
Energy: 0.9727330251609043
Energy: 0.9684073941898417
Energy: 0.9836441211759845
Energy: 0.9794049741974692
Energy: 0.9693112295524526
Energy: 0.9782469581408582
Energy: 0.9794235247927308
Energy: 0.9734256287802228
Energy: 0.9830357756416892
Energy: 0.9881763848095131
Energy: 0.9736098588957259
Energy: 0.979956491478001
Energy: 0.9821921096232922
Energy: 1.0599453682297924
Energy: 0.9786826171731045
Energy: 0.967671156126452
Energy: 0.9737842782799228
Energy: 0.9747492219392112
Energy: 0.9674644727610068
Energy: 1.0539245159963422
Energy: 0.9817572077526389
Energy: 0.9857404146432839
Energy: 0.9705243388163289
Energy: 0.9872602753982557
Energy: 0.9850323344325799
Energy: 0.9994108810178133
Energy: 1.12189061824627
Energy: 1.1219332554661512
Energy: 0.9803412311686618
Energy: 1.1216482160264598
Energy: 0.9389992421082065
Energy: 1.3065362216596432
Energy: 0.9854357925772513
Energy: 0.9865408941424291
Energy: 0.9891963464261018
Energy: 0.9863508293543958
Energy: 0.981446177309694
Energy: 1.3067159998423072
Energy: 1.1183977683953656
Energy: 1.1162497775325462
Energy: 0.9652076094266758
Energy: 0.9967870338396527
Energy: 1.1165514895240813
Energy: 1.0508347205080975
Energy: 0.991713490375814
Energy: 0.9881403996335233
Energy: 0.9666128482730051
Energy: 1.0854268832093052
Energy: 0.9814481739993804
Energy: 1.3083628811414145
Energy: 0.950034708503167
Energy: 0.9342309309853083
Energy: 0.9988425152574714
Energy: 0.936347374301499
Energy: 0.9807353000502019
Energy: 1.0866012049058495
Energy: 0.9351915765287919
Energy: 0.934037067593751
Energy: 1.0851678278814567
Energy: 0.932740742258444
Energy: 1.0035648755439162
Energy: 1.077413142206485
Energy: 0.9895733191384892
Energy: 0.9817899951672079
Energy: 0.9801965311563327
Energy: 0.9859106316942053
Energy: 0.9813735677504516
Energy: 1.121723730008745
Energy: 1.1240890143990776
Energy: 1.1232070674259278
Energy: 1.1228734283974822
Energy: 1.1120056812754646
Energy: 1.1228453457532095
Energy: 0.9715125679511323
Energy: 0.9930019279695699
Energy: 0.9861328495086238
Energy: 0.9880940550113538
Energy: 0.9711150959196096
Energy: 0.9851192432717351
Energy: 1.6149592279215215
Energy: 0.9753583863806591
Energy: 0.9457625904214405
Energy: 0.9310891628613155
Energy: 0.9903519809984118
Energy: 0.9889667174860374
Energy: 1.0026121682676359
Energy: 0.9904168539288647
Energy: 0.9896058738936142
Energy: 0.9481843238206227
Energy: 0.9730144097260989
Energy: 0.9558622303281563
Energy: 0.9685966958748847
Energy: 0.9777590912244274
Energy: 0.9780465737764957
Energy: 0.969656595470291
Energy: 0.9781378060693169
Energy: 0.9725364457015994
Energy: 0.9693992756939716
Energy: 0.9785070491040149
Energy: 0.9739374512206753
Energy: 0.9709123121002708
Energy: 0.9769007717695466
Energy: 0.9767842157209218
Energy: 0.9727706758625038
Energy: 0.9795442970672498
Energy: 0.9746024987009312
Energy: 0.9728451918131753
Energy: 0.9838453580785289
Energy: 0.9807177942755335
Energy: 1.265843872555613
Energy: 0.9770859892014794
Energy: 0.9679033993305627
Energy: 1.1824629886532887
Energy: 0.9646753131572217
Energy: 1.1339414003036792
Energy: 1.306331040726647
Energy: 0.9850444332200416
Energy: 0.9823539628376202
Energy: 0.9716583098095131
Energy: 0.9884873805937423
Energy: 0.9818125924723434
Energy: 0.9992476912670986
Energy: 1.1137556698277329
Energy: 1.1124025752716489
Energy: 1.011183147861395
Energy: 1.123826516689588
Energy: 0.9372498895632223
Energy: 1.053596192548207
Energy: 0.9805595524631096
Energy: 0.9802153897744906
Energy: 0.9932748578957538
Energy: 0.981337370977462
Energy: 0.980599861427232
Energy: 1.0512520910863328
Energy: 0.9931583823905137
Energy: 1.0685397797526044
Energy: 0.9670542456589674
Energy: 0.9898299434495893
Energy: 0.981128554414262
Energy: 1.3058879926405433
Energy: 1.11879447351903
Energy: 1.1163804577144105
Energy: 0.9660483568216894
Energy: 1.0856817634066178
Energy: 1.1153885898026072
Energy: 1.3060767365901504
Energy: 0.966416227780901
Energy: 0.9984610825156673
Energy: 0.9776288770599474
Energy: 0.9604827920637614
Energy: 0.9945787121119347
Energy: 1.0847835742473964
Energy: 1.2763253885561128
Energy: 1.2774272269733964
Energy: 1.086396539448343
Energy: 0.9330719933562636
Energy: 1.277733552668025
Energy: 1.080024919563559
Energy: 0.9824080030321092
Energy: 1.0684547978589616
Energy: 0.9820247416475567
Energy: 0.9801357851139814
Energy: 0.9943810643744756
Energy: 1.1092326620577901
Energy: 0.9800979810355649
Energy: 1.1418457601689322
Energy: 1.1092434229179686
Energy: 0.9778933689877167
Energy: 1.1088782465551479
Energy: 0.9691906943821796
Energy: 0.9972984430033959
Energy: 0.9782543777372047
Energy: 0.9710527413465805
Energy: 0.9703267394767537
Energy: 0.9786802707983939
Energy: 1.104938516416377
Energy: 0.9752969452150355
Energy: 0.9469106416133299
Energy: 0.9331472311728494
Energy: 0.9806260198942583
Energy: 0.946745541540176

minimum gb energy = 0.9310891628613155 eV
minimum distance =  2.28736322518217 Angstroms
sigma value = 33


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

Energy: 1.168837286559677
Energy: 1.0883046812649724
Energy: 1.0883124465347913
Energy: 1.1241127873536036
Energy: 1.085204038582726
Energy: 1.0877431439195422
Energy: 1.048371776972525
Energy: 1.05044251140127
Energy: 1.0482262474927648
Energy: 1.0489015972465279
Energy: 1.0462581689342036
Energy: 1.0283008386398707
Energy: 1.0485165192275858
Energy: 1.0312155648697616
Energy: 1.029389837254924
Energy: 1.053623338630304
Energy: 1.0276668598242784
Energy: 1.0303344519950017
Energy: 1.0433097007594767
Energy: 1.0441542561594856
Energy: 1.0266979652391233
Energy: 1.0453611941904468
Energy: 1.0281700829564315
Energy: 1.026646608495151
Energy: 1.0476443777960263
Energy: 1.0250366442293335
Energy: 1.0047527365862035
Energy: 1.0471188400692242
Energy: 1.0502651428067538
Energy: 1.0035010316930768
Energy: 1.0939060862331056
Energy: 1.0246336302085326
Energy: 1.0234875390701432
Energy: 1.048162416458573
Energy: 1.0484504762478606
Energy: 1.0250431668545457
Energy: 1.0917847878595452
Energy: 1.0211966354230473
Energy: 1.0304022613713306
Energy: 1.0443006466589526
Energy: 1.0287280111722978
Energy: 1.0267378971726762
Energy: 1.0843382376911623
Energy: 1.0392887309989407
Energy: 1.0084481057374686
Energy: 0.9967488488347869
Energy: 1.0390931687875236
Energy: 0.9991382186822192
Energy: 1.0892745583835775
Energy: 1.0032052434109795
Energy: 1.0033981564235301
Energy: 1.095957885280265
Energy: 1.005549270284087
Energy: 1.0001406861294588
Energy: 1.1599872369220812
Energy: 1.0054779277188006
Energy: 1.0306425017621759
Energy: 1.0507237459952805
Energy: 1.0054046674312458
Energy: 1.0294728732210543
Energy: 1.0922586667729859
Energy: 1.0318392950974544
Energy: 1.02916020486477
Energy: 1.044233937042575
Energy: 1.0291183612919932
Energy: 1.0254804916096902
Energy: 1.0929660740444072
Energy: 0.9945107312292707
Energy: 0.9946523909072977
Energy: 1.0481427409071717
Energy: 0.9991035989729445
Energy: 0.994545574798251
Energy: 1.0474746082009045
Energy: 0.9942347240239926
Energy: 0.994983673915649
Energy: 1.048454251694018
Energy: 1.0014303416351857
Energy: 0.9947129049418746
Energy: 1.0410394297149106
Energy: 1.0307568463189993
Energy: 1.0264451734016486
Energy: 1.0427651100331519
Energy: 1.067414269730086
Energy: 1.026013045640943
Energy: 1.0055085443539118
Energy: 1.0297743678617426
Energy: 1.0276640976478222
Energy: 1.0291374647066518
Energy: 1.0766957183608454
Energy: 1.0262690659993199
Energy: 1.0470906492975378
Energy: 1.0496699587965366
Energy: 1.0270698229618718
Energy: 1.0686984318901291
Energy: 1.0464608679631826
Energy: 1.0266842681273
Energy: 1.1573529629381625
Energy: 1.0486484320986635
Energy: 1.0276304646895535
Energy: 1.048639777430924
Energy: 1.0481532811665588
Energy: 1.0281645265440946
Energy: 1.0878248642807824
Energy: 1.0647824015839311
Energy: 1.0028425147850129
Energy: 1.0420024748823526
Energy: 1.04652403567128
Energy: 1.0040494874791708
Energy: 1.0424857571204558
Energy: 0.9940399241971595
Energy: 0.9941991254465852
Energy: 1.013796706362454
Energy: 1.1059905756771815
Energy: 1.027695094431408
Energy: 1.0053907369532793
Energy: 0.998822690676726
Energy: 0.9943579529321221
Energy: 1.0053709733371108
Energy: 0.9985640775879615
Energy: 1.0274329118564964
Energy: 1.0045898898530679
Energy: 1.0029767980331148
Energy: 1.0040839512135158
Energy: 1.0058826794617706
Energy: 1.0309288684229423
Energy: 0.999409884531544
Energy: 1.0420179412151886
Energy: 1.0268554050467793
Energy: 1.0063688054131121
Energy: 1.0417496736085585
Energy: 1.029656299764202
Energy: 1.0306246934606624
Energy: 1.046880212225659
Energy: 1.047788149335295
Energy: 1.029026480644151
Energy: 1.005349216841947
Energy: 1.0640705779384112
Energy: 1.007574258011171
Energy: 1.0853065908932296
Energy: 1.1023544847964017
Energy: 1.0144735526643058
Energy: 0.9950656489986983
Energy: 1.11463222253098
Energy: 1.0345586151347268
Energy: 1.0857573134045395
Energy: 1.073406923250507
Energy: 1.0504472698211444
Energy: 1.015503770335306
Energy: 1.0471243179522853
Energy: 1.0321330269630724
Energy: 1.0441360641057404
Energy: 1.029927564390432
Energy: 1.0278145952710929
Energy: 1.0473185737002064
Energy: 1.049354669544017
Energy: 1.0282579213953518
Energy: 1.0474716319977484
Energy: 1.0284359365129796
Energy: 1.0256162983578674
Energy: 1.04483823181292
Energy: 1.0471446207108703
Energy: 1.0277141108973555
Energy: 1.045842256702407
Energy: 1.0047663674152403
Energy: 1.0045900030781187
Energy: 1.0460492964379422
Energy: 1.0453303359573132
Energy: 1.0334284600734964
Energy: 1.0947989353921355
Energy: 1.025679454725754
Energy: 1.0260139453741277
Energy: 1.0481731132514573
Energy: 1.0282102703035487
Energy: 1.0285414007212415
Energy: 1.089315433774361
Energy: 1.02091197898756
Energy: 1.0050613975802194
Energy: 1.0462738408709247
Energy: 1.0289493497688984
Energy: 1.0287629086616468
Energy: 1.1672190303100596
Energy: 1.013456221928671
Energy: 1.009917242932664
Energy: 0.9960061448822471
Energy: 1.0428240082744706
Energy: 1.0079015598700924
Energy: 1.0918069453315653
Energy: 1.0213264001175002
Energy: 0.9996834721280315
Energy: 1.0643260481368453
Energy: 1.0073388618371844
Energy: 1.0043903745365312
Energy: 1.1640709294107086
Energy: 1.002652596473722
Energy: 1.031576875749907
Energy: 1.0495702610971298
Energy: 1.0065106886436939
Energy: 1.0267504553625337
Energy: 1.094129859058845
Energy: 1.0218120895304919
Energy: 1.0306563019280413
Energy: 1.0474086568099499
Energy: 1.0144254987070738
Energy: 1.0262154361059161
Energy: 1.0934437294372152
Energy: 0.9947180540351999
Energy: 0.994510590613693
Energy: 1.0479420679384945
Energy: 0.9992617862482565
Energy: 0.9996774612713932
Energy: 1.047643089229277
Energy: 0.9946132762394168
Energy: 0.9952792544303556
Energy: 1.0478887265920658
Energy: 0.994591596787683
Energy: 1.0358694185615942
Energy: 1.0424518031998782
Energy: 1.0472111268012172
Energy: 1.0273955619988349
Energy: 1.0439167914801681
Energy: 1.0501775719141888
Energy: 1.0274534151026828
Energy: 1.0328244317499906
Energy: 1.0273135423868616
Energy: 1.0268589061673232
Energy: 1.0137734484176568
Energy: 1.02879776919276
Energy: 1.0263379188269168
Energy: 1.0435386634895787
Energy: 1.0488631648646145
Energy: 1.026302969295991
Energy: 1.0495047269237079
Energy: 1.0447737198409601
Energy: 1.0255585036723431
Energy: 1.1569432840207892
Energy: 1.0482095468038712
Energy: 1.030108365883289
Energy: 1.0415822142620588
Energy: 1.0478016760934041
Energy: 1.0267530718594107
Energy: 1.1586172233398493
Energy: 1.0471196030978833
Energy: 1.0033231428868907
Energy: 1.043156760534306
Energy: 1.0476199891313696
Energy: 1.004864589881592
Energy: 1.0410010127137084
Energy: 0.9969296504431405
Energy: 0.9944761458225369
Energy: 1.0124103085231053
Energy: 1.0948252020011613
Energy: 1.0260338401616431
Energy: 1.0060736666455945
Energy: 0.9946707278658766
Energy: 0.9942845533874016
Energy: 1.0062665681010372
Energy: 0.9979455917292562
Energy: 0.9946303803134007
Energy: 1.0026545777702236
Energy: 1.00424198108278
Energy: 0.9999982360077226
Energy: 1.0039575428565983
Energy: 1.0072110178800568
Energy: 1.020190865476298
Energy: 1.0402873782040765
Energy: 1.006949590527377
Energy: 1.0211879956838137
Energy: 1.0405341769309961
Energy: 1.0284216179536123
Energy: 1.0400987170272857
Energy: 1.0452278160605613
Energy: 1.0271542688084259
Energy: 1.0265023109710532
Energy: 1.0438793578644707
Energy: 1.0469175072840724
Energy: 1.0284737701986788
Energy: 1.2246031101486345
Energy: 1.048389467736359
Energy: 1.0154105321992766
Energy: 1.0027251092585263
Energy: 1.0523655219597263
Energy: 0.9939372758407783

minimum gb energy = 0.9939372758407783 eV
minimum distance =  2.29088873520064 Angstroms
sigma value = 67


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

Energy: 1.3099402272677272
Energy: 1.155930033033309
Energy: 1.0775578436882016
Energy: 1.0772454568736158
Energy: 1.1510301620604337
Energy: 1.0777344287690105
Energy: 1.1164128850082544
Energy: 1.0830125125213677
Energy: 1.0833991971198256
Energy: 1.1163417388710557
Energy: 1.085313046496772
Energy: 1.0822346746915985
Energy: 1.1171574088047835
Energy: 1.0505554170778821
Energy: 1.0845285214776132
Energy: 1.085381126207263
Energy: 1.0494920859473926
Energy: 1.0839613313209386
Energy: 1.1170651934088554
Energy: 1.083631468345268
Energy: 1.083039337721018
Energy: 1.1171563065511578
Energy: 1.0835479145851767
Energy: 1.082702839390143
Energy: 1.1150696682975507
Energy: 1.0845481381438609
Energy: 1.0845087555022557
Energy: 1.1153047772338895
Energy: 1.0839817731944552
Energy: 1.0858047488939238
Energy: 1.1188051870731752
Energy: 1.0886130149021829
Energy: 1.0851124026772834
Energy: 1.118559988450337
Energy: 1.0881043173451854
Energy: 1.1179959837777316
Energy: 1.184592963694619
Energy: 1.0840200624579373
Energy: 1.0843932775411547
Energy: 1.1791859285273676
Energy: 1.0866833680112955
Energy: 1.0836849074626047

minimum gb energy = 1.0494920859473926 eV
minimum distance =  2.31591039265493 Angstroms
sigma value = 3


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

Energy: 1.7555711230063618
Energy: 1.3337319953933549
Energy: 1.249809042371998
Energy: 1.2905501721751833
Energy: 1.320552550984549
Energy: 1.238866894137409
Energy: 1.2242380626375926
Energy: 1.2235902905336073
Energy: 1.2158824426695418
Energy: 1.2038699848427594
Energy: 1.3616420322157243
Energy: 1.1894297438752326
Energy: 1.220671941862396
Energy: 1.2039233591872578
Energy: 1.203723530029566
Energy: 1.2215464574946093
Energy: 1.2011706354905811
Energy: 1.221192418913149
Energy: 1.2213376102182563
Energy: 1.2055935872194412
Energy: 1.2128403539796206
Energy: 1.2238352886247987
Energy: 1.2009575883392696
Energy: 1.216485904025898
Energy: 1.1843893909251297
Energy: 1.198370809109251
Energy: 1.1970585084782095
Energy: 1.185769480453417
Energy: 1.2072632588656294
Energy: 1.2136427066048063
Energy: 1.1782696220033326
Energy: 1.1984854951922077
Energy: 1.1985718068867341
Energy: 1.2020053786163165
Energy: 1.206970395100206
Energy: 1.2147021040666082
Energy: 1.180795043157774
Energy: 1.2500544066909507
Energy: 1.2190209819331956
Energy: 1.166796478025354
Energy: 1.2465174300243638
Energy: 1.2134368194457363
Energy: 1.6072840413706706
Energy: 1.3137671170042677
Energy: 1.238700833149105
Energy: 1.2330105673062457
Energy: 1.4089238838822469
Energy: 1.2160884061320631
Energy: 1.178457093618676
Energy: 1.2023567053693927
Energy: 1.2082953287138203
Energy: 1.169939469045026
Energy: 1.2487142762665442
Energy: 1.228403389088377
Energy: 1.2857485011065255
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Energy: 1.2508634880220209
Energy: 1.2197761247681216
Energy: 1.2260728904320073
Energy: 1.245305700660568
Energy: 1.2191204884931377
Energy: 1.2096489215871056
Energy: 1.248315538476308
Energy: 1.1926464170366171
Energy: 1.2111452015089017
Energy: 1.2441712021918097
Energy: 1.2114121390861767
Energy: 1.2106460639246737
Energy: 1.223996695655846
Energy: 1.1987953141707577
Energy: 1.2145927890781574
Energy: 1.2153135327138602
Energy: 1.2139460261808501
Energy: 1.2151618732536202
Energy: 1.1983744814935895
Energy: 1.1802591722934561
Energy: 1.199800487688163
Energy: 1.215872419076594
Energy: 1.187654295310509
Energy: 1.196706013766989
Energy: 1.220258330834039
Energy: 1.1844781298999703
Energy: 1.182374062382466
Energy: 1.4344572549209291
Energy: 1.223470691038846
Energy: 1.2683165304607722
Energy: 1.1848462608187456
Energy: 1.224040004690228
Energy: 1.2326783929557443
Energy: 1.3599036321508962
Energy: 1.2338678711699043
Energy: 1.209163055113206
Energy: 1.3606262058344987
Energy: 1.2083483919993132
Energy: 1.2092268914858162
Energy: 1.3384348443176948
Energy: 1.2056008152321878
Energy: 1.2339855756641276
Energy: 1.3389276178786493
Energy: 1.202234663334059
Energy: 1.2675565116989858
Energy: 1.3881062439907053
Energy: 1.2078164158639093
Energy: 1.2421000033094787
Energy: 1.38553333333307
Energy: 1.211528381809888
Energy: 1.2263352058305608
Energy: 1.2964074592746448
Energy: 1.2417542040795466
Energy: 1.249440006753899
Energy: 1.2186934250366193
Energy: 1.3091562666819982
Energy: 1.2223550950364488
Energy: 1.3162493949640341
Energy: 1.2357427018468334
Energy: 1.2404407212656747
Energy: 1.2192252125564542
Energy: 1.2753756547221855
Energy: 1.2306542225386456
Energy: 1.2002441163719837
Energy: 1.1974663576603974
Energy: 1.2038629617795444
Energy: 1.2135793129242416
Energy: 1.1989794001787382
Energy: 1.2044839546656598
Energy: 1.191988685685878
Energy: 1.2054722823520645
Energy: 1.2126205622400246
Energy: 1.2027557879902202
Energy: 1.206864077714506
Energy: 1.2129628863216937
Energy: 1.189788053717817
Energy: 1.2163894276168088
Energy: 1.2084168193618097
Energy: 1.1923740014462911
Energy: 1.156395450206792
Energy: 1.2052750207189453
Energy: 1.2145854320002742
Energy: 1.2312337927314283
Energy: 1.2315083233384159
Energy: 1.2149646895471322
Energy: 1.2318513619494016
Energy: 1.1957695452456278
Energy: 1.1927986569136586
Energy: 1.2092606524447194
Energy: 1.1912156515046552
Energy: 1.1838583094379187
Energy: 1.2080170802215255
Energy: 1.1898711995653006
Energy: 1.402437004648351
Energy: 1.2867967836314302
Energy: 1.1842425471334292
Energy: 1.1896535776099866
Energy: 1.290623109552755
Energy: 1.206295919495241
Energy: 1.1675900178604375
Energy: 1.289502214982305
Energy: 1.204402579586228
Energy: 1.18976039757821
Energy: 1.2902496106985168
Energy: 1.1994418521385801
Energy: 1.1950782425455289
Energy: 1.186394173091493
Energy: 1.1900117008326034
Energy: 1.1941121092106108
Energy: 1.2087588953991326
Energy: 1.2209067113213052
Energy: 1.1921427500075554
Energy: 1.2045496076945597
Energy: 1.20396774658499
Energy: 1.1926185927740465
Energy: 1.2051616723696443
Energy: 1.1938535314958818
Energy: 1.1921935972619728
Energy: 1.2073429015973243
Energy: 1.2144640732580678
Energy: 1.194614406302605
Energy: 1.1810281091426722
Energy: 1.2048947356918975
Energy: 1.2643578566211056
Energy: 1.2040706554302938
Energy: 1.2052924587956126
Energy: 1.2070523591711615
Energy: 1.2342427158414515
Energy: 1.2043326848382483
Energy: 1.1940336106009677
Energy: 1.217117502092922
Energy: 1.2114716432249784
Energy: 1.1908267986955103
Energy: 1.262148966269165
Energy: 1.2160777459056888
Energy: 1.3748657174099477
Energy: 1.2938257727252915
Energy: 1.2226053507162389
Energy: 1.220133891582375
Energy: 1.2971803279125151
Energy: 1.2148083645482664
Energy: 1.1675915055012331
Energy: 1.2736666059807031
Energy: 1.2160520743060808
Energy: 1.201598456171142
Energy: 1.3084711888431866
Energy: 1.2175149294693133
Energy: 1.2840655045943488
Energy: 1.212011712547038
Energy: 1.214879132700319
Energy: 1.3000687788602407
Energy: 1.206985099155002
Energy: 1.217750056009483
Energy: 1.2486774247264494
Energy: 1.2324438687195676
Energy: 1.2315974285518092
Energy: 1.2486003840023345
Energy: 1.2199806968137323
Energy: 1.2257929900429505
Energy: 1.2499284105739277
Energy: 1.2099254186819792
Energy: 1.2086261262517135
Energy: 1.251006169168886
Energy: 1.1708718239817169
Energy: 1.2133252397256467
Energy: 1.3680222685269776
Energy: 1.2004811314980008
Energy: 1.2001212146548796
Energy: 1.2008441022956262
Energy: 1.2026657789277153
Energy: 1.2376591691117431
Energy: 1.2356945771972179
Energy: 1.183044639756224
Energy: 1.1827658052748664
Energy: 1.2350519861246045
Energy: 1.1854838793384324
Energy: 1.2172847723589357
Energy: 1.2633174224536718
Energy: 1.2226986727775044
Energy: 1.2220380226670484
Energy: 1.1848461492971243
Energy: 1.222430078797977
Energy: 1.2148341602165187
Energy: 1.3505847195437262
Energy: 1.2379183678127637
Energy: 1.2138463841979843
Energy: 1.219620525848481
Energy: 1.2097377108019696
Energy: 1.212763916076271
Energy: 1.3870121743865906
Energy: 1.1991881744997714
Energy: 1.2172512742715844
Energy: 1.3555088871852414
Energy: 1.2005222320847369
Energy: 1.251630842292961
Energy: 1.4022916733403326
Energy: 1.2014184635952723
Energy: 1.2182606038336434
Energy: 1.3767262705498853
Energy: 1.201298030890498
Energy: 1.268612637807772
Energy: 1.2941559710273858
Energy: 1.222657697084901
Energy: 1.2142357084505915
Energy: 1.289028707118179
Energy: 1.2138745349354851
Energy: 1.2135095773808606
Energy: 1.520860376663158
Energy: 1.230843740449059
Energy: 1.2873855554730638
Energy: 1.2419752010769365
Energy: 1.2316782659066146
Energy: 1.2869910086259475
Energy: 1.1785630412121857
Energy: 1.191732001918258
Energy: 1.1948618470458208
Energy: 1.1836528893211433
Energy: 1.1828556246913318
Energy: 1.1891921996482353
Energy: 1.1790942395247226
Energy: 1.199137661419744
Energy: 1.2065251439469444
Energy: 1.1987970811381348
Energy: 1.1982728259270092
Energy: 1.2061743499302433
Energy: 1.1864995033878691
Energy: 1.2004841452671446
Energy: 1.1983525923518523
Energy: 1.186695708530505
Energy: 1.1909825885006338
Energy: 1.1968457121362812
Energy: 1.2245971845112797
Energy: 1.217798528677511
Energy: 1.2135123321064023
Energy: 1.2255406738197934
Energy: 1.217992954005207
Energy: 1.2333310041262069
Energy: 1.2220497292778987
Energy: 1.218154135925464
Energy: 1.2216834382376056
Energy: 1.2149181612187638
Energy: 1.2185735611178956
Energy: 1.2177259092766723
Energy: 1.2090661942084036
Energy: 1.3212387684471822
Energy: 1.223425721319625
Energy: 1.1890870661240753
Energy: 1.3623470138893898
Energy: 1.2224669936732862

minimum gb energy = 1.156395450206792 eV
minimum distance =  2.2699209756058 Angstroms
sigma value = 81


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

Energy: 1.810286866908082
Energy: 1.3354256421909154
Energy: 1.2383608065800809
Energy: 1.2287692166844684
Energy: 1.3352605358376217
Energy: 1.2288424370940265
Energy: 1.2074920807277838
Energy: 1.175377528746739
Energy: 1.177256951019252
Energy: 1.1633258776948499
Energy: 1.1674933698504781
Energy: 1.1753151708268186
Energy: 1.2072182059291978
Energy: 1.1643466179524462
Energy: 1.1626198526850764
Energy: 1.2344082043392135
Energy: 1.16340329108952
Energy: 1.2234386129981611
Energy: 1.1614571348708698
Energy: 1.1627805447906872
Energy: 1.2017123679329293
Energy: 1.16097973641629
Energy: 1.1612493022662314
Energy: 1.2038732360294007
Energy: 1.220445686529012
Energy: 1.2306777693380144
Energy: 1.23075715757162
Energy: 1.22008128214865
Energy: 1.2297480215976295
Energy: 1.2294638325036127
Energy: 1.2191935412841093
Energy: 1.229536061117135
Energy: 1.22951505754447
Energy: 1.2368780975848075
Energy: 1.2293202754502082
Energy: 1.2297474288597166
Energy: 1.2185257548689836
Energy: 1.180591676016509
Energy: 1.176266878003993
Energy: 1.2025162347459482
Energy: 1.3058794300181074
Energy: 1.1885193911230754
Energy: 1.2961912055780254
Energy: 1.3151383894520674
Energy: 1.2972523747634088
Energy: 1.2079625708094868
Energy: 1.3212896018394755
Energy: 1.22993670885454
Energy: 1.2024830300229357
Energy: 1.1878163315861252
Energy: 1.1792322473727248
Energy: 1.1908115186538129
Energy: 1.2198266165726355
Energy: 1.1435283826305396
Energy: 1.2623405117006772
Energy: 1.212890504567957
Energy: 1.2128609203695346
Energy: 1.2627794697079038
Energy: 1.2132505461357175
Energy: 1.2130685366905865
Energy: 1.2082842823984958
Energy: 1.2125732264537263
Energy: 1.212691055065563
Energy: 1.2070353621771963
Energy: 1.1855427777829646
Energy: 1.2172241026727952
Energy: 1.1489773951388151
Energy: 1.179563922706582
Energy: 1.1825326011923984
Energy: 1.152876921926201
Energy: 1.1765635906270522
Energy: 1.1682163367462801
Energy: 1.1486064637957716
Energy: 1.2204733515362978
Energy: 1.2095604636214383
Energy: 1.1629644856433283
Energy: 1.1913796279265603
Energy: 1.166795282064896
Energy: 1.1753585135967415
Energy: 1.1809615405658185
Energy: 1.1828551247664014
Energy: 1.1795988245429696
Energy: 1.172437029359947
Energy: 1.1813625692228773
Energy: 1.3181045902361703
Energy: 1.2370195441474607
Energy: 1.2379105194463424
Energy: 1.238173289084331
Energy: 1.237657071992346
Energy: 1.2375169519697677
Energy: 1.317989407906962
Energy: 1.2399429460983802
Energy: 1.2403984115248188
Energy: 1.3180131385433118
Energy: 1.2412560037853744
Energy: 1.2390181368282356
Energy: 1.31041249311868
Energy: 1.20655142574045
Energy: 1.2067880895555465
Energy: 1.3107140598692097
Energy: 1.2067688036574071
Energy: 1.2297523676556834
Energy: 1.3072539794477869
Energy: 1.146813911166938
Energy: 1.200025806892988
Energy: 1.2932537393931267
Energy: 1.2137176563293584
Energy: 1.1839995544763204
Energy: 1.3840564853445547
Energy: 1.2228506567035258
Energy: 1.2129564993476154
Energy: 1.2142323023306387
Energy: 1.2257126600956842
Energy: 1.213009569117472
Energy: 1.3843680466407462
Energy: 1.2217761064009482
Energy: 1.2126553400740896
Energy: 1.2132721308019296
Energy: 1.2317389659033458
Energy: 1.2125896087045982
Energy: 1.157460235956507
Energy: 1.164320411544592
Energy: 1.1871172844927962
Energy: 1.138051303853704
Energy: 1.1474096729819379
Energy: 1.1909792706565054
Energy: 1.1722879946140428
Energy: 1.1639420823554552
Energy: 1.1728868858148456
Energy: 1.1982695639912118
Energy: 1.1634716542818084
Energy: 1.1810094367811095
Energy: 1.1718511545293058
Energy: 1.1919718422006143
Energy: 1.1905475197666877
Energy: 1.1734795189852647
Energy: 1.1825646117069166
Energy: 1.180594089023116
Energy: 1.2301539363290521
Energy: 1.2396256777053076
Energy: 1.238000658371956
Energy: 1.2370742126121224
Energy: 1.2404221398318018
Energy: 1.2373550726531888
Energy: 1.2314383919300247
Energy: 1.23778287554875
Energy: 1.2375828934682034
Energy: 1.223562425532102
Energy: 1.250698317920403
Energy: 1.240848669909276
Energy: 1.2947836104701027
Energy: 1.3335167041050806
Energy: 1.2225487479781207
Energy: 1.2037433339983676
Energy: 1.3342027205104312
Energy: 1.2321009200161612
Energy: 1.2945481828334897
Energy: 1.2969558467316726
Energy: 1.226956573544544
Energy: 1.2456647991798702
Energy: 1.300404528805376
Energy: 1.2293329397464092
Energy: 1.2010940286696157
Energy: 1.1581421070695879
Energy: 1.2177756092326588
Energy: 1.2023369273224043
Energy: 1.1846535615437985
Energy: 1.217547072939952
Energy: 1.2091251984753928
Energy: 1.213497349144656
Energy: 1.2130535592479466
Energy: 1.2347025008179304
Energy: 1.213772317978724
Energy: 1.2132497465363563
Energy: 1.1470766391798748
Energy: 1.1672719613257576
Energy: 1.1932610767586447
Energy: 1.1471423097919247
Energy: 1.1375662925059207
Energy: 1.1416161384592034
Energy: 1.1495145533819338
Energy: 1.189659817329767
Energy: 1.1865330696700256
Energy: 1.1649096498444382
Energy: 1.2102422573397682
Energy: 1.1626746038243783
Energy: 1.1479594890024234
Energy: 1.1580128805718926
Energy: 1.1664495043247423
Energy: 1.158902676937885
Energy: 1.159525477279494
Energy: 1.1668985731958845
Energy: 1.3080248514347748
Energy: 1.2321696419577115
Energy: 1.231523583139027
Energy: 1.2374602145180842
Energy: 1.2271463180482267
Energy: 1.2317089283241698
Energy: 1.3075652240979674
Energy: 1.237743837301598
Energy: 1.2348103397218833
Energy: 1.2404068918112667
Energy: 1.2313786913364555
Energy: 1.2337601667247624
Energy: 1.305483520218333
Energy: 1.1742558441229818
Energy: 1.1974177131180699
Energy: 1.3059860602892823
Energy: 1.2036676594935647
Energy: 1.197268311094549
Energy: 1.3517411382008595
Energy: 1.205125421396176
Energy: 1.205144982463842
Energy: 1.3537280917679402
Energy: 1.2045236046218402
Energy: 1.3342189977025312
Energy: 1.3541656333828036
Energy: 1.2328861568958913
Energy: 1.2357395151546229
Energy: 1.3069356207629972
Energy: 1.2278179469818156
Energy: 1.2472132831916405
Energy: 1.2767252137715528
Energy: 1.348004038854779
Energy: 1.2292393665061054
Energy: 1.2158034585513018
Energy: 1.3408914213061576
Energy: 1.2072054038968831

minimum gb energy = 1.1375662925059207 eV
minimum distance =  2.24411127629436 Angstroms
sigma value = 43


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

Energy: 1.770271436198164
Energy: 1.3018168926831515
Energy: 1.2397725226519107
Energy: 1.2934744727574892
Energy: 1.3016177328462468
Energy: 1.2912804156814734
Energy: 1.2223539560030967
Energy: 1.167685101581775
Energy: 1.1834092935439366
Energy: 1.171625193591846
Energy: 1.158384028803125
Energy: 1.1781017014170552
Energy: 1.3732778733672693
Energy: 1.185793058075583
Energy: 1.1858504868549604
Energy: 1.3703747588663286
Energy: 1.1862207746909474
Energy: 1.2215936074660634
Energy: 1.1729748625635867
Energy: 1.1859534500543072
Energy: 1.174077308991622
Energy: 1.1729486246734213
Energy: 1.185857480209239
Energy: 1.1751075234233086
Energy: 1.1434480055641398
Energy: 1.1688798549110406
Energy: 1.1691470175603504
Energy: 1.1436661723130892
Energy: 1.1671725149132117
Energy: 1.1693121506972814
Energy: 1.1441659018315626
Energy: 1.167436714195263
Energy: 1.1682205254807938
Energy: 1.1703720377089748
Energy: 1.169602506055338
Energy: 1.168277408122439
Energy: 1.1444638141398502
Energy: 1.1444720825588732
Energy: 1.144364261677437
Energy: 1.1576870905150887
Energy: 1.1437311613191374
Energy: 1.1638943996573146
Energy: 1.2861182827704754
Energy: 1.2219988519664478
Energy: 1.2226474260438047
Energy: 1.1670000271583296
Energy: 1.2217857248778137
Energy: 1.2220613160324816
Energy: 1.1355024969384138
Energy: 1.1745701049823487
Energy: 1.1747230679146725
Energy: 1.1354711261101882
Energy: 1.1802791713626066
Energy: 1.1731853755741106
Energy: 1.3865553053798851
Energy: 1.2210104718172048
Energy: 1.2207672191794414
Energy: 1.2447265826718654
Energy: 1.2214008631488897
Energy: 1.2214104653213924
Energy: 1.137772282273005
Energy: 1.216419420030455
Energy: 1.1663435998946048
Energy: 1.1623279303308698
Energy: 1.2462111504772615
Energy: 1.183696997331736
Energy: 1.3299864878535657
Energy: 1.2217859204249406
Energy: 1.2222368633834149
Energy: 1.148258923664345
Energy: 1.2222272005211714
Energy: 1.2211954588154101
Energy: 1.3313662465244367
Energy: 1.2489671360158507
Energy: 1.25492045916878
Energy: 1.1864647329182034
Energy: 1.2502640510925052
Energy: 1.2551241030311213
Energy: 1.1380389627434584
Energy: 1.2218827995743382
Energy: 1.1832134925718638
Energy: 1.134745819265081
Energy: 1.165293581654953
Energy: 1.1833153777781436
Energy: 1.1386937102907524
Energy: 1.1756301359115402
Energy: 1.1768781399869046
Energy: 1.176390314194019
Energy: 1.1654764450094959
Energy: 1.1846711009596316
Energy: 1.138257951349279
Energy: 1.1802454642242706
Energy: 1.172128785322699
Energy: 1.1390708591320213
Energy: 1.144218351708867
Energy: 1.1379577818457003
Energy: 1.1686902553844984
Energy: 1.1843048361219075
Energy: 1.183685272903779
Energy: 1.1682812300815264
Energy: 1.1601329945158283
Energy: 1.183839292780557
Energy: 1.1682414963253145
Energy: 1.1834574981677533
Energy: 1.1836333717793324
Energy: 1.1634084910343705
Energy: 1.1932282372373813
Energy: 1.1840346244552546
Energy: 1.2616659673993822
Energy: 1.1692581865383096
Energy: 1.183442896608874
Energy: 1.2204557189748724
Energy: 1.261371784416026
Energy: 1.2200319492295877
Energy: 1.2606191531848812
Energy: 1.168986981173877
Energy: 1.183404254492835
Energy: 1.220829227130274
Energy: 1.2664958939538251
Energy: 1.2134631723292886
Energy: 1.168232401823682
Energy: 1.2386870292592291
Energy: 1.1683568004348344
Energy: 1.157163134628337
Energy: 1.1731278440644162
Energy: 1.1846150332564216
Energy: 1.2854876274147116
Energy: 1.2571369028825037
Energy: 1.255423998539636
Energy: 1.2855875838674142
Energy: 1.1882895974926113
Energy: 1.32031152080262
Energy: 1.219592571270328
Energy: 1.1584325344216997
Energy: 1.1589172962207273
Energy: 1.157802556785303
Energy: 1.1667538948944585
Energy: 1.1930089480126682
Energy: 1.2411651554454584
Energy: 1.1838256103492353
Energy: 1.1841993841355811
Energy: 1.1920560653161063
Energy: 1.1681573945541184
Energy: 1.1837550878415954
Energy: 1.2031039636096388
Energy: 1.1679774085236543
Energy: 1.1833645611645194
Energy: 1.186222948657489
Energy: 1.1682383584274825
Energy: 1.1689993592560708
Energy: 1.2019240096280932
Energy: 1.171498029443488
Energy: 1.1825326713149595
Energy: 1.181704868053399
Energy: 1.1384096241548878
Energy: 1.1807207689425046
Energy: 1.2014014265030015
Energy: 1.181844089789969
Energy: 1.1794310852222074
Energy: 1.1946633219229643
Energy: 1.1799265148957645
Energy: 1.180131200979434
Energy: 1.222383657329174
Energy: 1.1785431359905814
Energy: 1.173306226107336
Energy: 1.1649626817989054
Energy: 1.1753489838173665
Energy: 1.1445593756373442
Energy: 1.241627366769064
Energy: 1.2206580504815003
Energy: 1.2205672725814247
Energy: 1.2420059157080225
Energy: 1.1677526198695198
Energy: 1.2200080730445408
Energy: 1.2214697903085465
Energy: 1.177810231257592
Energy: 1.183118759136759
Energy: 1.1727000830193652
Energy: 1.1393346894135503
Energy: 1.1642353090853812
Energy: 1.2621125959878225
Energy: 1.3301436245208476
Energy: 1.2136754153495992
Energy: 1.2569774055996588
Energy: 1.3494019399733004
Energy: 1.1860355754214282

minimum gb energy = 1.134745819265081 eV
minimum distance =  2.27704923548536 Angstroms
sigma value = 57


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

Energy: 1.4040254670293815
Energy: 1.3160574126044042
Energy: 1.2758410300991956
Energy: 1.1737580422637686
Energy: 1.316172318770207
Energy: 1.2765160107477938
Energy: 1.2049937573951708
Energy: 1.1657459377819916
Energy: 1.1664784140686868
Energy: 1.1419523944435612
Energy: 1.1404067914691463
Energy: 1.1408698530748071
Energy: 1.1322390767353396
Energy: 1.1371344152828002
Energy: 1.1369363017009952
Energy: 1.1563914230246737
Energy: 1.1370589600600212
Energy: 1.1368138356785327
Energy: 1.1292613394859474
Energy: 1.136558661484273
Energy: 1.1373314671933528
Energy: 1.1296901612560504
Energy: 1.137331462288614
Energy: 1.130412511134748
Energy: 1.1306327397072473
Energy: 1.1414244978788943
Energy: 1.1407789792189005
Energy: 1.1313315619005346
Energy: 1.1406650419039777
Energy: 1.1406227566435037
Energy: 1.0826024289408256
Energy: 1.1403312211486711
Energy: 1.1437218820983035
Energy: 1.1406625023416774
Energy: 1.1293229783133785
Energy: 1.143450590791228
Energy: 1.1452628792494413
Energy: 1.1283622235718973
Energy: 1.1284480946661806
Energy: 1.1458811291210915
Energy: 1.1296564621573795
Energy: 1.1299159947317197
Energy: 1.1265002299195412
Energy: 1.1393940508357996
Energy: 1.2098738866283911
Energy: 1.142873120450952
Energy: 1.1420219313097133
Energy: 1.138030506058335
Energy: 1.1391875613177724
Energy: 1.165707845734641
Energy: 1.1372697102007872
Energy: 1.1400507511860734
Energy: 1.1657849801444233
Energy: 1.1373051056157313
Energy: 1.348204516743814
Energy: 1.1939911509355123
Energy: 1.193858275215434
Energy: 1.3489355710890418
Energy: 1.194224529972011
Energy: 1.1922627358434956
Energy: 1.1332187632646105
Energy: 1.159581092350965
Energy: 1.1582887446087244
Energy: 1.139796349957737
Energy: 1.1524958561849672
Energy: 1.1600574074450194
Energy: 1.0822515002756898
Energy: 1.165858927689049
Energy: 1.1587850605877617
Energy: 1.0851969255009624
Energy: 1.1654543167654843
Energy: 1.1736394226203941
Energy: 1.0834356069797602
Energy: 1.1379780155773551
Energy: 1.1691880102748446
Energy: 1.174650798830176
Energy: 1.1371456012427088
Energy: 1.1755260232942464
Energy: 1.131328697335975
Energy: 1.1674723596197463
Energy: 1.1407174172754828
Energy: 1.1397065733117646
Energy: 1.140339258905295
Energy: 1.1371773951635817
Energy: 1.1341748174716741
Energy: 1.1356496720910179
Energy: 1.1365620563569792
Energy: 1.1333785967997672
Energy: 1.13557437186469
Energy: 1.1519712876451527
Energy: 1.1296092722731397
Energy: 1.12527535689131
Energy: 1.1235759348340488
Energy: 1.130575199335506
Energy: 1.1413848976392416
Energy: 1.1287786478349227
Energy: 1.1310827304455429
Energy: 1.1400154578577775
Energy: 1.1399928471871419
Energy: 1.1289680799590005
Energy: 1.1404331749715937
Energy: 1.1397166700275985
Energy: 1.1309698367283252
Energy: 1.127794881392043
Energy: 1.140903254377659
Energy: 1.130841137871479
Energy: 1.1310739953724456
Energy: 1.1397803326342302
Energy: 1.1455332370622522
Energy: 1.1323164186738581
Energy: 1.137119261304445
Energy: 1.1304449388349942
Energy: 1.1322831250641059
Energy: 1.1364753150394091
Energy: 1.1473361647923286
Energy: 1.1374211430672272
Energy: 1.1371863936655613
Energy: 1.1369525396426317
Energy: 1.1371220811863294
Energy: 1.136925753593031
Energy: 1.140597178621554
Energy: 1.1675560627061958
Energy: 1.168579199357414
Energy: 1.1409887493462827
Energy: 1.1739673579620633
Energy: 1.1602806880099052
Energy: 1.3622491215922936
Energy: 1.1375794271631543
Energy: 1.1604370510529944
Energy: 1.3627452367062889
Energy: 1.1371597598435763
Energy: 1.1776423703617207
Energy: 1.1309298203465439
Energy: 1.167807946786186
Energy: 1.1668011861620806
Energy: 1.1397894688165775
Energy: 1.1406491660408031
Energy: 1.1666383628812866
Energy: 1.0836853716456192
Energy: 1.1386448497315502
Energy: 1.1699635045186954
Energy: 1.1752376668267752
Energy: 1.2318823958410055
Energy: 1.1770544167406816

minimum gb energy = 1.0822515002756898 eV
minimum distance =  2.22323497119736 Angstroms
sigma value = 17


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

Energy: 1.5956881866153105
Energy: 1.1346600146579868
Energy: 1.2551224454470742
Energy: 1.0811153113862613
Energy: 1.13418294409263
Energy: 1.0795909322451143
Energy: 1.1100355317820776
Energy: 1.1299458140202716
Energy: 1.1298391684128648
Energy: 1.1422770130512512
Energy: 1.1203002576343584
Energy: 1.111844093762506
Energy: 1.3083805841232279
Energy: 1.0477420605361474
Energy: 1.0484734200794368
Energy: 1.1308771336979027
Energy: 1.0488533969191627
Energy: 1.0488351522048012
Energy: 1.1173270008286347
Energy: 1.0490242251157125
Energy: 1.036508070117965
Energy: 1.1172976161332653
Energy: 1.0501127727404749
Energy: 1.117848353798473
Energy: 1.1181141625370794
Energy: 1.0494334820111715
Energy: 1.0722107548555375
Energy: 1.1180515314784079
Energy: 1.037741113981611
Energy: 1.0670273861834265
Energy: 1.0245684647517908
Energy: 1.0496584562288653
Energy: 1.0500357204709474
Energy: 1.0357818500487685
Energy: 0.99750078630647
Energy: 1.034349815530389
Energy: 0.9975879304975873
Energy: 0.9971001443470889
Energy: 0.9970630085338654
Energy: 0.9984860953030443
Energy: 0.9984109943264472
Energy: 1.0219043598135562
Energy: 0.9974510064128979
Energy: 1.0380912247918985
Energy: 1.0500796222388713
Energy: 1.03841661693124
Energy: 1.0380141899366093
Energy: 1.0483848599073586
Energy: 0.999955519052813
Energy: 1.043634768929668
Energy: 1.0414803003806252
Energy: 1.0014317447597947
Energy: 1.0383694182576448
Energy: 0.9973715228863569
Energy: 0.9969924168727784
Energy: 1.0665850561540278
Energy: 1.0658032215684474
Energy: 0.9971306433266707
Energy: 1.0668722475827817
Energy: 1.0489648918401986
Energy: 0.9981821586760921
Energy: 1.0663086466380312
Energy: 1.0658012878540566
Energy: 1.0374924748992058
Energy: 1.1179329840041423
Energy: 1.0483952244505472
Energy: 1.1191810480044033
Energy: 1.1177253851432298
Energy: 1.117774808308353
Energy: 1.1193768552551844
Energy: 1.117854740570696
Energy: 1.1183478627506616
Energy: 1.1156418169267328
Energy: 1.1298760701985233
Energy: 1.1292104444706763
Energy: 1.049152092458359
Energy: 1.117937561270142
Energy: 1.1557273685192477
Energy: 1.1304690850181782
Energy: 1.1304004942704755
Energy: 1.155085546377474
Energy: 1.1308433566114116
Energy: 1.1190263388488026
Energy: 1.0959705553293602
Energy: 1.2319882013377808
Energy: 1.1275007515421995
Energy: 1.1271861110272594
Energy: 1.1333162992105767
Energy: 1.1281262568476407
Energy: 1.2171268722258757
Energy: 1.2380209660000911
Energy: 1.1631392529074838
Energy: 1.110928859909521
Energy: 1.1205801370274027
Energy: 1.1314378477761813
Energy: 1.153941834291892
Energy: 1.214169420412669
Energy: 1.1289161669963326
Energy: 1.2096518084140424
Energy: 1.0519958388944355
Energy: 1.1297740166522228
Energy: 1.2092487480873624

minimum gb energy = 0.9969924168727784 eV
minimum distance =  2.25848704080016 Angstroms
sigma value = 17


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

Energy: 1.6841940370698936
Energy: 1.095002488311662
Energy: 1.0835296844807958
Energy: 1.036019020360129
Energy: 1.0951714467085163
Energy: 1.0864386292638097
Energy: 1.20089430330291
Energy: 1.0856672453873355
Energy: 1.0991413731167203
Energy: 1.079311202352689
Energy: 1.07934534559781
Energy: 1.0433749578379348
Energy: 1.2401041072190264
Energy: 0.9742607591641667
Energy: 1.0388414426095989
Energy: 1.0779746490399191
Energy: 0.9742499699031151
Energy: 1.0388777501760098
Energy: 1.0806792536243033
Energy: 1.0395219982981603
Energy: 1.0186851906469938
Energy: 1.0807245869744668
Energy: 0.972144931767267
Energy: 0.9963975414148339
Energy: 0.9681505212374741
Energy: 0.9935374337273671
Energy: 1.0082744428180357
Energy: 0.969305851858248
Energy: 0.9874583796831152
Energy: 1.010101840765514
Energy: 0.9951141463961313
Energy: 0.953035202151024
Energy: 0.9716964286301673
Energy: 0.9740455889459109
Energy: 0.9538750987294539
Energy: 0.9722157367448413
Energy: 0.8963952813354855
Energy: 0.9541645748094357
Energy: 0.9537798440398813
Energy: 0.9483251097711435
Energy: 0.9560164987158577
Energy: 0.9625004299226624
Energy: 0.8955720520577942
Energy: 0.948145502707603
Energy: 0.9606761426323955
Energy: 0.9703982350956861
Energy: 0.9487043180156066
Energy: 0.9884022906037245
Energy: 0.8970754425749242
Energy: 0.9618167180896071
Energy: 0.935409710332557
Energy: 0.8986741361600811
Energy: 1.0081985805610867
Energy: 0.8969193284967544
Energy: 0.8973382207800545
Energy: 0.9546636075397158
Energy: 0.9548717273571123
Energy: 0.8970532195148486
Energy: 0.9555108684112458
Energy: 0.954787896198074
Energy: 0.8967700587735767
Energy: 0.8958180746199741
Energy: 0.9620649775263924
Energy: 0.9546669852351265
Energy: 0.8974897043375826
Energy: 0.9619135012689932
Energy: 0.900863332489288
Energy: 0.8968143276864435
Energy: 0.8969028218419642
Energy: 0.9041675254738202
Energy: 0.8962579827934246
Energy: 0.9368355061536855
Energy: 0.9527497189654374
Energy: 0.9639669462050079
Energy: 0.9686333825271385
Energy: 0.9612753440884524
Energy: 0.9854643063915159
Energy: 0.9605775031701191
Energy: 0.9534283908640043
Energy: 0.9720769483028703
Energy: 0.9815717914238887
Energy: 0.954012200297507
Energy: 0.9705560687961552
Energy: 0.9541516056811888
Energy: 0.9542644886498213
Energy: 0.9626037696831189
Energy: 0.9624467430483938
Energy: 0.9540710237624757
Energy: 0.9834436059336322
Energy: 1.0060113160029591
Energy: 1.1630915241868984
Energy: 1.0779549003867286
Energy: 1.0066063750263827
Energy: 0.9875521220610701
Energy: 1.0776556553400134
Energy: 1.0087686985606377
Energy: 0.8992239485940279
Energy: 1.0799514525508147
Energy: 1.0786930510604846
Energy: 0.9531053819445415
Energy: 1.0802714077965005
Energy: 0.9912134506443668
Energy: 0.9695170401895504
Energy: 1.08221889593332
Energy: 1.098879237243427
Energy: 1.0013767706941625
Energy: 1.0786982009230048
Energy: 0.9878486021365425
Energy: 1.170879597339807
Energy: 1.0779143183140143
Energy: 1.043014850907962
Energy: 1.0798911428860756
Energy: 0.9879272250600609
Energy: 1.0089008643262072
Energy: 1.2419718100976294
Energy: 0.9985274419857297
Energy: 0.9991363885457301
Energy: 1.151569417365871
Energy: 0.9957616572278838
Energy: 1.0895035102763355
Energy: 1.1947545800145998
Energy: 1.0843950680695085
Energy: 1.0820144825671734
Energy: 1.0800733671999239
Energy: 1.0834552174609813
Energy: 1.1000616149487172
Energy: 0.9109603500944518
Energy: 1.0856769311401568
Energy: 1.1589507836425896
Energy: 1.0053420978004692
Energy: 1.0911169052040852
Energy: 1.0008581807078045
Energy: 1.0491516672943515
Energy: 1.084152412622607
Energy: 1.099532348383714
Energy: 1.0492681459640179
Energy: 1.0841855511227851
Energy: 1.1573819437942572
Energy: 1.2547577954881188
Energy: 1.01849868881821
Energy: 1.0986840466599517
Energy: 1.0811976056785177
Energy: 1.078112327657696
Energy: 1.099588596765461
Energy: 1.0767481640098895
Energy: 0.9743279389146325
Energy: 1.038580601739227
Energy: 1.0771474840252167
Energy: 0.9748959384641739
Energy: 1.0071635255373375
Energy: 1.0809268543830324
Energy: 0.9932187831894145
Energy: 1.0106817376557038
Energy: 1.0822406299966576
Energy: 0.9910093871864875
Energy: 1.0279901177905015
Energy: 0.9954587368219642
Energy: 0.9928124969599215
Energy: 1.0058335800664147
Energy: 0.9736526538675031
Energy: 0.9971041799463889
Energy: 0.97197873199197
Energy: 0.9530519459181521
Energy: 0.953879279433565
Energy: 0.9537019946226524
Energy: 0.9539521064447701
Energy: 0.9552798394369522
Energy: 0.9539731249790859
Energy: 0.8962258948348537
Energy: 0.9677956274813497
Energy: 0.9687666081902546
Energy: 0.9637315312356719
Energy: 0.9549766061337158
Energy: 0.973266246274792
Energy: 0.8967916790390817
Energy: 0.9483308055238602
Energy: 0.9607484884561293
Energy: 0.8970068299362857
Energy: 0.9488897784739363
Energy: 0.9605962367014611
Energy: 0.9022207249233437
Energy: 0.9579702441368132
Energy: 0.9563198922998741
Energy: 0.8971287801646389
Energy: 0.9544609751337982
Energy: 0.9344637901745645
Energy: 0.8985454032811594
Energy: 0.9586527883333501
Energy: 0.9575185313018786
Energy: 0.9584617493746349
Energy: 0.9641016603885272
Energy: 0.9568521216332863
Energy: 0.9100672124548443
Energy: 0.8969482503814289
Energy: 0.897272582398687
Energy: 0.9102757538834153
Energy: 0.8972832264061744
Energy: 0.8970442674481004
Energy: 0.9547078384352453
Energy: 0.9608830061795743
Energy: 0.9693110710356379
Energy: 0.9834655779616658
Energy: 0.9350320236558509
Energy: 0.9687242773841571
Energy: 0.954702690326328
Energy: 0.9680017254293573
Energy: 0.9677577143112027
Energy: 0.9547654988068375
Energy: 0.9696659453919619
Energy: 0.9692220573989084
Energy: 0.9540732492125047
Energy: 0.962146994780494
Energy: 1.0060868009567339
Energy: 0.9541621094519548
Energy: 0.9620754028227924
Energy: 0.9877595125996353
Energy: 1.1745972709251964
Energy: 1.0063520499000695
Energy: 1.006680912160757
Energy: 0.9907515811328735
Energy: 0.9880436602445738
Energy: 1.0089398704262063
Energy: 0.8962559059211327
Energy: 1.07901210828781
Energy: 1.0785888356846423
Energy: 0.9693375002113146
Energy: 1.0802250377909466
Energy: 1.0780615843554182
Energy: 1.0769534822111568
Energy: 1.0821527397719903
Energy: 0.9891724900049307
Energy: 1.0086581719495982
Energy: 1.151779845420289
Energy: 0.9937299099233318
Energy: 1.171492044661509
Energy: 1.0802470759971923
Energy: 1.0822823173041496
Energy: 1.0826536219728065
Energy: 1.08312409586373
Energy: 1.0525162471666631
Energy: 1.1772778406019389
Energy: 0.9945421699470852
Energy: 1.1001961738143833
Energy: 1.0780775585086688
Energy: 0.9943720504800354
Energy: 1.077986119314208
Energy: 1.2586511258135413
Energy: 1.0458553821632435
Energy: 1.0992713535864578
Energy: 1.0825778306763039
Energy: 0.967834237876807
Energy: 1.0997375403085086
Energy: 1.0477694619914835
Energy: 1.0839633345892894
Energy: 1.099217694369462
Energy: 1.0481413576984149
Energy: 1.084344483507147
Energy: 1.1571045754458131

minimum gb energy = 0.8955720520577942 eV
minimum distance =  2.23757227773106 Angstroms
sigma value = 57


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

Energy: 1.0489681128240822
Energy: 1.0501597166660401
Energy: 0.9991008857924687
Energy: 0.959981116040623
Energy: 1.3735841171041827
Energy: 0.9968008945747341
Energy: 1.1149966898285266
Energy: 1.032331738795662
Energy: 1.056247527103148
Energy: 1.0332720513065485
Energy: 1.0350647835333597
Energy: 0.9438240503504731
Energy: 1.170070296527788
Energy: 0.9266427379733455
Energy: 0.9271867286545145
Energy: 1.0346508795448532
Energy: 0.9262945822853236
Energy: 0.9551236086761341
Energy: 1.0385111610579911
Energy: 0.9263259357950636
Energy: 0.9600720612755083
Energy: 1.0394108882348592
Energy: 0.8973536082664542
Energy: 0.9612378455893262
Energy: 1.0286994395383662
Energy: 0.9487383988265372
Energy: 0.9606646505102969
Energy: 1.0298976202237728
Energy: 0.9454730740438338
Energy: 0.966801230593527
Energy: 0.8747106793319568
Energy: 0.9190632135477539
Energy: 0.9249411061692712
Energy: 0.8923010825194749
Energy: 0.9193475168832934
Energy: 0.9247817526180789
Energy: 1.0718523574705048
Energy: 0.9198619931934646
Energy: 0.9196115141185222
Energy: 0.9244244991542914
Energy: 0.9241688467120404
Energy: 0.9253291481827484
Energy: 1.073679586038683
Energy: 0.8912071639504588
Energy: 0.9047552933332763
Energy: 0.9358009938762716
Energy: 0.8907990032688893
Energy: 0.9200287562243986
Energy: 0.8562480093491439
Energy: 0.9088815648680513
Energy: 0.8532809676305051
Energy: 0.8569914988503425
Energy: 1.053959077433652
Energy: 0.8531822435827545
Energy: 0.8536237080571524
Energy: 0.906818682609471
Energy: 0.9061448995714246
Energy: 0.8533008162957638
Energy: 0.9205275873689287
Energy: 0.907556935756157
Energy: 0.8280314822801995
Energy: 0.8218151723990059
Energy: 0.8949985474641897
Energy: 0.8793454969812942
Energy: 0.8223615328492194
Energy: 0.8967838083706884
Energy: 0.9595286848583554
Energy: 0.8222212104148957
Energy: 0.82208270677476
Energy: 1.0442915732116385
Energy: 0.8282833122798129
Energy: 0.8836188948004632
Energy: 0.8239518627585103
Energy: 0.9134699257746841
Energy: 0.8963869011421675
Energy: 0.8847890282302437
Energy: 0.9134200998036739
Energy: 0.8995174227089255
Energy: 0.822817999397607
Energy: 0.8890052840405845
Energy: 0.8216409702878732
Energy: 0.8244265047971061
Energy: 1.0440845903431837
Energy: 0.8221111065270928
Energy: 0.8221424285722078
Energy: 0.904191311299357
Energy: 0.8859081212577672
Energy: 0.8221907376865297
Energy: 0.9058550500822867
Energy: 0.8859311628881249
Energy: 1.054820017512856
Energy: 0.8539529900829549
Energy: 0.9045913137426088
Energy: 0.9042513687840084
Energy: 0.853866007176424
Energy: 0.9024496277228953
Energy: 0.8680729502856298
Energy: 0.8532720439979058
Energy: 0.8529011026689182
Energy: 0.8963572965551042
Energy: 0.8528560228747779
Energy: 0.91697360242402
Energy: 0.9770095839711679
Energy: 0.911983448274521
Energy: 0.9133036252074473
Energy: 0.9769090620803612
Energy: 0.9127508601301961
Energy: 0.9177087467470039
Energy: 0.9203163487490575
Energy: 0.9278409752441317
Energy: 0.9195103073665284
Energy: 0.9222847149542517
Energy: 0.9275950799647714
Energy: 0.919739874478404
Energy: 1.107326868607441
Energy: 0.9271518597799366
Energy: 0.9272364615662352
Energy: 0.9471602250644652
Energy: 0.9098570718157004
Energy: 0.9630220929403489
Energy: 1.106187389588447
Energy: 1.0389453192699
Energy: 0.9469471904740212
Energy: 0.9465513808471586
Energy: 1.041798907901
Energy: 0.9565355190610808
Energy: 1.0070529540645614
Energy: 1.032993804008171
Energy: 0.9194441677011063
Energy: 0.9105996181485512
Energy: 1.0334336807729645
Energy: 0.9426287245157604
Energy: 0.9379325113857983
Energy: 1.0304514257782633
Energy: 1.029474113031329
Energy: 0.947300358734587
Energy: 1.0387147040142612
Energy: 1.030296699270485
Energy: 1.112933887966313
Energy: 0.9472189861665274
Energy: 0.9418844617369854
Energy: 1.0346754712211716
Energy: 0.9464667974904654
Energy: 0.9631086387898337
Energy: 1.1782231958547873
Energy: 0.9435127251752409
Energy: 0.9469516763176982
Energy: 1.0338676275288325
Energy: 0.943934725706601
Energy: 1.0292888834912846
Energy: 1.1312355620142804
Energy: 1.037613484229555
Energy: 1.0341859197472827
Energy: 1.036543496945794
Energy: 1.0383473614493448
Energy: 1.031460391244296
Energy: 0.9616540688471477
Energy: 1.0386260302730406
Energy: 0.9615832431520096
Energy: 0.9270502055157381
Energy: 1.0415299224280197
Energy: 0.9556570694886296

minimum gb energy = 0.8216409702878732 eV
minimum distance =  2.29467034015268 Angstroms
sigma value = 43


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

Energy: 0.9291567068350562
Energy: 0.935174538020349
Energy: 0.9168316572389896
Energy: 0.8253045375887279
Energy: 0.9341905336002452
Energy: 0.865216530051482
Energy: 0.9694646285585589
Energy: 0.9108949172657765
Energy: 0.8369273749496242
Energy: 0.9105132220894065
Energy: 0.9135763718752893
Energy: 0.8350532877653845
Energy: 1.014495705026099
Energy: 0.7910269900651332
Energy: 0.8183971257806316
Energy: 0.9110674836442735
Energy: 0.7911112334474125
Energy: 0.8195060724477047
Energy: 0.9131510718788277
Energy: 0.8181109063370248
Energy: 0.8056982559194954
Energy: 0.9131570074631177
Energy: 0.9125175703943413
Energy: 0.8580725163822761
Energy: 0.899453327628502
Energy: 0.8382948674983908
Energy: 0.8378518643815123
Energy: 0.8990520664486636
Energy: 0.8269015827979438
Energy: 0.8260612943297209
Energy: 0.7455968568502925
Energy: 0.8243815978685154
Energy: 0.8140460918593971
Energy: 0.7703567920070525
Energy: 0.8242530772723825
Energy: 0.7878233220635207
Energy: 0.9433790927953368
Energy: 0.8243045328848269
Energy: 0.8239703785460858
Energy: 0.8134655713628979
Energy: 0.8246812976090727
Energy: 0.8117291624479683
Energy: 0.9410609003870049
Energy: 0.7660465117961829
Energy: 0.782656978774212
Energy: 0.8009133022849048
Energy: 0.7660725566397582
Energy: 0.7826103478019083
Energy: 0.7699445461034183
Energy: 0.7824214464286439
Energy: 0.7670849215266246
Energy: 0.77170087915749
Energy: 0.9145053637048478
Energy: 0.7672511592254443
Energy: 0.7435898326248184
Energy: 0.7871091775413431
Energy: 0.7875229855074952
Energy: 0.7668787368618725
Energy: 0.7864130306388023
Energy: 0.7853430262061505
Energy: 0.8874438590841905
Energy: 0.7289269537513621
Energy: 0.7726062922500009
Energy: 0.7586334569624273
Energy: 0.7289647340123807
Energy: 0.7639121970669783
Energy: 0.9057534691333354
Energy: 0.7293312591645525
Energy: 0.7290878797377904
Energy: 0.8451681676286102
Energy: 0.7293740888814667
Energy: 0.7772661300034188
Energy: 0.9064859682094131
Energy: 0.765929493071592
Energy: 0.7705303019094192
Energy: 0.9090085153704524
Energy: 0.7562509687528662
Energy: 0.7833857550622068
Energy: 0.7063316730694569
Energy: 0.8391593252809952
Energy: 0.7059019675255002
Energy: 0.7082591924405718
Energy: 0.8931839945643895
Energy: 0.7064449327319934
Energy: 0.7061145216176596
Energy: 0.754095504536386
Energy: 0.7607797107305309
Energy: 0.7059609410270623
Energy: 0.7555551844946294
Energy: 0.7611832941928578
Energy: 0.7939786354701733
Energy: 0.6953010407958207
Energy: 0.6954821470803261
Energy: 0.7527847400745239
Energy: 0.6951136128739737
Energy: 0.7572003553931352
Energy: 0.886411833498329
Energy: 0.6953188636721105
Energy: 0.6948508187543391
Energy: 0.8294735451338762
Energy: 0.6955286609725393
Energy: 0.7555809766173279
Energy: 0.6987313253145081
Energy: 0.7559845053768433
Energy: 0.755253880260268
Energy: 0.6980063520303466
Energy: 0.7649429780204907
Energy: 0.7548001262786006
Energy: 0.6951829058670889
Energy: 0.88691086047345
Energy: 0.6950315356510084
Energy: 0.696733520221262
Energy: 0.8906539571290495
Energy: 0.6950700083671267
Energy: 0.8967562649526343
Energy: 0.7635445898330872
Energy: 0.7632476921978308
Energy: 0.8991812276154989
Energy: 0.768769505361228
Energy: 0.7622873137187731
Energy: 0.8952049275710596
Energy: 0.7061878471953511
Energy: 0.7058021879606272
Energy: 0.7633340793754877
Energy: 0.7062064456401758
Energy: 0.7628766472505011
Energy: 0.7969696326389578
Energy: 0.7061320910540395
Energy: 0.7062919919242001
Energy: 0.7590037168276174
Energy: 0.7063223922847182
Energy: 0.7583842093356169
Energy: 0.7289764089599932
Energy: 0.7603151541820372
Energy: 0.7602315915946514
Energy: 0.7289332712539505
Energy: 0.7618728358913154
Energy: 0.7613784703846272
Energy: 0.7293049091469793
Energy: 0.8481331314662599
Energy: 0.7290461985243031
Energy: 0.7315910624928216
Energy: 0.9064756976536521
Energy: 0.7297281725288782
Energy: 0.9205193230701502
Energy: 0.7708444674903276
Energy: 0.7735317011276026
Energy: 0.8684217051721672
Energy: 0.7613974938001145
Energy: 0.7866673339666959
Energy: 0.9224591107570613
Energy: 0.7669651356468727
Energy: 0.7668025358181569
Energy: 0.7981176101145535
Energy: 0.767143587471301
Energy: 0.7992371032124574
Energy: 0.8932885649504212
Energy: 0.766919925574771
Energy: 0.7882356461436016
Energy: 0.762863865486509
Energy: 0.7667952324016208
Energy: 0.7752181156539163
Energy: 0.8655447319335107
Energy: 0.789552325867017
Energy: 0.7984480471193566
Energy: 0.8653502350456592
Energy: 0.7900992774322546
Energy: 0.798069751522874
Energy: 0.8273805991907907
Energy: 0.7998013288514327
Energy: 0.82434514064023
Energy: 0.8291065021317595
Energy: 0.9222878948655381
Energy: 0.8244842511740007
Energy: 0.967913808482347
Energy: 0.7785026735602683
Energy: 0.8004911982790183
Energy: 0.8374930269013219
Energy: 0.7784748502498652
Energy: 0.8008076913799764
Energy: 0.9663394142967624
Energy: 0.8375748969865663
Energy: 0.839153781460815
Energy: 0.8397838519530453
Energy: 0.8418899366705581
Energy: 0.8374252322580523
Energy: 0.7714625501133606
Energy: 0.9105762605318096
Energy: 0.8287849041673983
Energy: 0.7835043565896346
Energy: 0.910431006597139
Energy: 0.8072128064304742
Energy: 0.9051667829492356
Energy: 0.9105666538979187
Energy: 0.9104425921002903
Energy: 0.8398931041871329
Energy: 0.9143746270640242
Energy: 0.8988579213143089
Energy: 0.9720298491179817
Energy: 0.8339644839531496
Energy: 0.818617242417772
Energy: 0.9120032811793208
Energy: 0.9224133016282409
Energy: 0.9103846823417466
Energy: 1.014296537032401
Energy: 0.8111441339629414
Energy: 0.8425326776445111
Energy: 0.9109728790683166
Energy: 0.8113689125778087
Energy: 0.842495950535628
Energy: 0.9769614184992104
Energy: 0.9109860442310376
Energy: 0.8985898479346066
Energy: 0.9105817822352082
Energy: 0.914415123137752
Energy: 0.8989265667092785

minimum gb energy = 0.6948508187543391 eV
minimum distance =  2.23187554566552 Angstroms
sigma value = 81


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

Energy: 0.4455629404586827
Energy: 0.6545175878254852
Energy: 0.11789221688471534
Energy: 0.11973938841848542
Energy: 0.6588591111273737
Energy: 0.44582973082868393
Energy: 0.764184310941996
Energy: 0.7296385435276016
Energy: 0.6537668387842043
Energy: 0.8270702306191343
Energy: 0.6542004967159287
Energy: 0.7283067045931755
Energy: 0.7652271724212429
Energy: 0.11759692586867083
Energy: 0.11757113394567446
Energy: 0.8257978279422671
Energy: 0.11744118186816799
Energy: 0.16893128789121684
Energy: 0.7803190061989169
Energy: 0.11766555610828713
Energy: 0.11739274238240476
Energy: 0.7473532985578959
Energy: 0.11745870309979856
Energy: 0.16794734184650942
Energy: 0.1672635870356138
Energy: 0.784523091948042
Energy: 0.7754042508225695
Energy: 0.16857310327472713
Energy: 0.7753173713044031
Energy: 0.7821455322952099
Energy: 0.11861076390954
Energy: 0.787302931764973
Energy: 0.11758022025199834
Energy: 0.11715824413785703
Energy: 0.7889271399335783
Energy: 0.11759934268459041
Energy: 0.8262039469402942
Energy: 0.7294344226606799
Energy: 0.7267629812935061
Energy: 0.8356291358216661
Energy: 0.7285498756529086
Energy: 0.7460601967719825
Energy: 0.8219320839755117
Energy: 0.11750675907664725
Energy: 0.11764422736450801
Energy: 0.7150698477407414
Energy: 0.11746996222255389
Energy: 0.11750511493054556
Energy: 0.7216357363034521
Energy: 0.11772686188913889
Energy: 0.16834190569113988
Energy: 0.775892824091675
Energy: 0.1176724380746083
Energy: 0.16978018248637133
Energy: 0.4458156105460966
Energy: 0.7858292783063605
Energy: 0.7002061896541983
Energy: 0.11739161071509502
Energy: 0.7260707392739326
Energy: 0.7858471687668218

minimum gb energy = 0.11715824413785703 eV
minimum distance =  2.40349248392203 Angstroms
sigma value = 3


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

Energy: 0.9427807342983685
Energy: 0.9031926911666799
Energy: 0.9176727861999989
Energy: 0.8854053465054005
Energy: 0.9031513962454982
Energy: 0.8848213760663941
Energy: 0.9283630216054292
Energy: 0.9084513902375521
Energy: 0.8996547811021318
Energy: 0.9034653662081328
Energy: 0.9125111836409574
Energy: 0.8981721499786632
Energy: 0.9329366937553847
Energy: 0.8549512738875731
Energy: 0.8547497628726467
Energy: 0.9048617911145443
Energy: 0.8563794092230683
Energy: 0.8849149151657898
Energy: 0.8596078872828804
Energy: 0.8569580107662741
Energy: 0.854733923487422
Energy: 0.8591753651833254
Energy: 0.8752479255609414
Energy: 0.8934307140914792
Energy: 0.8440990828804029
Energy: 0.8996390929540697
Energy: 0.899167287170116
Energy: 0.8440794759906197
Energy: 0.9127960302463439
Energy: 0.8984743740471627
Energy: 0.8467306633270554
Energy: 0.8948588633295377
Energy: 0.8598825979512295
Energy: 0.8290153126655945
Energy: 0.8937523393282093
Energy: 0.8287881639490966
Energy: 0.8589051824518906
Energy: 0.8498798134956552
Energy: 0.8502171385382022
Energy: 0.8592173966008063
Energy: 0.7983101420028184
Energy: 0.8506882101512647
Energy: 0.8604605071983833
Energy: 0.8322884851079303
Energy: 0.831974254209882
Energy: 0.8595682589931253
Energy: 0.80195734723099
Energy: 0.8319303885242156
Energy: 0.8589484720022234
Energy: 0.8316055201977242
Energy: 0.8658709885515821
Energy: 0.866632759938976
Energy: 0.8510710861102033
Energy: 0.866529336970854
Energy: 0.856568889741752
Energy: 0.7979824926816043
Energy: 0.7975157526777816
Energy: 0.8563311303474712
Energy: 0.8007270865799025
Energy: 0.8131956638265717
Energy: 0.8234663953269356
Energy: 0.8368183910848279
Energy: 0.8368954696020882
Energy: 0.8050997687230049
Energy: 0.8263651584988488
Energy: 0.8049066413751668
Energy: 0.7512720995964983
Energy: 0.8385107618264894
Energy: 0.8416562946923986
Energy: 0.7512552884287681
Energy: 0.8321384270578303
Energy: 0.7506479657389964
Energy: 0.7523188616255024
Energy: 0.789638165365113
Energy: 0.8089770019750017
Energy: 0.75263583281135
Energy: 0.7896309314119077
Energy: 0.8094521816750315
Energy: 0.8050202055237708
Energy: 0.8270655776923038
Energy: 0.8083209388101966
Energy: 0.808248685680971
Energy: 0.7772112135650981
Energy: 0.8114144323405701
Energy: 0.8070529407500322
Energy: 0.720140486732616
Energy: 0.7199212497655566
Energy: 0.8054751020765641
Energy: 0.7226877987592405
Energy: 0.7200452090015056
Energy: 0.8060464061305811
Energy: 0.7920998215097765
Energy: 0.794772708455274
Energy: 0.7925343438688597
Energy: 0.7979205017450571
Energy: 0.795062039046553
Energy: 0.7054771531090901
Energy: 0.7943734158161498
Energy: 0.7930189761537642
Energy: 0.7053413546910808
Energy: 0.7933240603949738
Energy: 0.7054242412655686
Energy: 0.7065142864831758
Energy: 0.7874101236635171
Energy: 0.7875615985757997
Energy: 0.7065294694614572
Energy: 0.7871417443344657
Energy: 0.78724149711119
Energy: 0.7943126086222779
Energy: 0.7941768296494383
Energy: 0.7870985052064704
Energy: 0.7872507059033464
Energy: 0.7643309410237377
Energy: 0.7873641153348887
Energy: 0.7957993609195102
Energy: 0.7054374409067269
Energy: 0.7052559005016228
Energy: 0.797273347586422
Energy: 0.7059062959345037
Energy: 0.7059761480964479
Energy: 0.7964771334250134
Energy: 0.7921901384344555
Energy: 0.7948908888542798
Energy: 0.794510547362783
Energy: 0.8056032270159432
Energy: 0.7927584107813549
Energy: 0.7214455605902187
Energy: 0.7925134517903003
Energy: 0.7950343888865828
Energy: 0.7205557646606746
Energy: 0.813153382547652
Energy: 0.7200079739401303
Energy: 0.7211070506364188
Energy: 0.8081589303897218
Energy: 0.8083674953264439
Energy: 0.7211661986335696
Energy: 0.8082859680961255
Energy: 0.8086434845114906
Energy: 0.8119090187299778
Energy: 0.7530614986608514
Energy: 0.8099444755539099
Energy: 0.7969114957617031
Energy: 0.7526834214578739
Energy: 0.7965860947051061
Energy: 0.8277497756184216
Energy: 0.7513357364992628
Energy: 0.7511836995784159
Energy: 0.8289959903899707
Energy: 0.7516227945141742
Energy: 0.7515195715180815
Energy: 0.8290633868319993
Energy: 0.817215043542719
Energy: 0.8168784601940474
Energy: 0.8295238894045887
Energy: 0.7923898831748099
Energy: 0.8367171894131689
Energy: 0.8008601397255547
Energy: 0.8168365310636566
Energy: 0.8165948555639715
Energy: 0.8013535086334523
Energy: 0.835910574302408
Energy: 0.814240187200042
Energy: 0.7674259468611033
Energy: 0.865269429637631
Energy: 0.86489324049549
Energy: 0.7674210253744048
Energy: 0.8673162990247841
Energy: 0.8645769488783196
Energy: 0.8326923587254355
Energy: 0.8511816102951157
Energy: 0.8512656364988358
Energy: 0.8136038894864885
Energy: 0.8610028037723202
Energy: 0.8130567770570174
Energy: 0.8499623791341248
Energy: 0.8508144687438883
Energy: 0.8497140788652402
Energy: 0.8500572961862434
Energy: 0.8617823901415328
Energy: 0.8656798283329314
Energy: 0.8985990422420204
Energy: 0.8461919290441354
Energy: 0.8460845026227494
Energy: 0.8985240574712987
Energy: 0.8104668262149275
Energy: 0.846073387011647
Energy: 0.9418522002631878
Energy: 0.8454083550319321
Energy: 0.8709903724483354
Energy: 0.91271044636162
Energy: 0.8165671674664747
Energy: 0.8986541794434982
Energy: 0.8160029765621124
Energy: 0.8588094045165384
Energy: 0.8588782711655986
Energy: 0.8158850484723539
Energy: 0.8636336994878576
Energy: 0.8696699380042893

minimum gb energy = 0.7052559005016228 eV
minimum distance =  2.22516444104504 Angstroms
sigma value = 67


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

Energy: 1.0607189427057384
Energy: 1.1042395067105497
Energy: 1.0271005760264988
Energy: 0.9969793204974666
Energy: 1.104512836507708
Energy: 1.0233346055180368
Energy: 1.0791410497084926
Energy: 1.046759209213085
Energy: 1.0400458174477287
Energy: 1.0417076459866432
Energy: 1.041414541161365
Energy: 1.0248918203938124
Energy: 1.0853311213855472
Energy: 0.981305564552089
Energy: 1.0213767414214845
Energy: 1.0423723938851304
Energy: 0.9811846013726189
Energy: 1.0211511298876712
Energy: 0.9805261147837552
Energy: 1.0211525779476298
Energy: 1.0217919911600533
Energy: 0.9808128600748454
Energy: 1.0184642487207962
Energy: 1.0217152817350306
Energy: 0.9763880442781117
Energy: 1.0297105776330189
Energy: 1.0243709480801508
Energy: 0.9766577532539028
Energy: 1.0458538791402494
Energy: 1.0247801636539364
Energy: 0.9694047495167805
Energy: 1.0244533469204307
Energy: 0.9816926022322379
Energy: 0.982568368506332
Energy: 1.022446902050063
Energy: 0.9821708299104036
Energy: 0.9769260105409532
Energy: 0.965181015791026
Energy: 1.0247017381028767
Energy: 0.9773871441990023
Energy: 0.9650126404026345
Energy: 0.9602176850212645
Energy: 0.9801469001930972
Energy: 0.9592433972323793
Energy: 0.9597923513260276
Energy: 0.9796223360780274
Energy: 0.9594479883530024
Energy: 0.9848399784528648
Energy: 0.9724388592004434
Energy: 0.984031692669904
Energy: 0.983624736517246
Energy: 0.9839217111365657
Energy: 0.904801817958364
Energy: 0.9886608525202388
Energy: 0.9770054479123689
Energy: 0.90722358216107
Energy: 0.9067065688615443
Energy: 0.9783554674639715
Energy: 0.9095562183401521
Energy: 0.929989032574005
Energy: 0.9742662216232472
Energy: 0.9610460695525276
Energy: 0.9606568514761155
Energy: 0.9604100167204656
Energy: 0.953876981415278
Energy: 0.9606849994202045
Energy: 0.8733716308814448
Energy: 0.9627799648093475
Energy: 0.9625512963938481
Energy: 0.8729752425956377
Energy: 0.9640631691361456
Energy: 0.8716741167856616
Energy: 0.8721288206066766
Energy: 0.9491056763610859
Energy: 0.9510107978217589
Energy: 0.8719295165552916
Energy: 0.9482932457183921
Energy: 0.9103847604744384
Energy: 0.9497037330686763
Energy: 0.9468387648132355
Energy: 0.9512924807373331
Energy: 0.9478256261453242
Energy: 0.9507108262332291
Energy: 0.9505090718577599
Energy: 0.9498433209015844
Energy: 0.8746952707580616
Energy: 0.8733620134470783
Energy: 0.9513420964582976
Energy: 0.8739589365192221
Energy: 0.8730960400642224
Energy: 0.9516323743065929
Energy: 0.961164513073907
Energy: 0.9656573199576103
Energy: 0.9649926400961991
Energy: 0.9733937948141475
Energy: 0.9616839924440013
Energy: 0.906898840001362
Energy: 0.9449268285018878
Energy: 0.9510087181998665
Energy: 0.9068747719002797
Energy: 0.9444305071717437
Energy: 0.9315557432146249
Energy: 0.908326927642493
Energy: 0.9855788547567154
Energy: 0.9864218056464098
Energy: 0.9072811350732171
Energy: 0.9841442144023805
Energy: 0.9674934895514271
Energy: 0.9503941304472037
Energy: 0.9834990077257952
Energy: 0.9718449151774218
Energy: 0.9716698845620225
Energy: 0.9711118173682908
Energy: 0.9717598847397317
Energy: 0.9641089870667999
Energy: 0.9663208128837121
Energy: 0.9615011613601456
Energy: 0.9641540523218256
Energy: 0.9815146247583856
Energy: 0.9603946734192642
Energy: 1.0256643826505438
Energy: 0.9892871696446758
Energy: 0.9876731672446042
Energy: 1.026345139867881
Energy: 0.9965884510042305
Energy: 0.9871265251868533
Energy: 1.0849895163293906
Energy: 0.9699457320250484
Energy: 0.9883032457589291
Energy: 1.041627520291158
Energy: 0.9703608608050555
Energy: 0.9874388961388514
Energy: 1.018144374402619
Energy: 1.0406877259890772
Energy: 1.040693910769951
Energy: 1.0184187615405147
Energy: 1.0445949447026774
Energy: 1.0243825033433442

minimum gb energy = 0.8716741167856616 eV
minimum distance =  2.26877775757586 Angstroms
sigma value = 33


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

Energy: 1.2200093714896314
Energy: 1.219056693776498
Energy: 1.212664435719582
Energy: 1.0929876093694841
Energy: 1.2188042919609832
Energy: 1.095124944013467
Energy: 1.1870909796926645
Energy: 1.1232762338504676
Energy: 1.1212684185226536
Energy: 1.123710180029879
Energy: 1.125301122526256
Energy: 1.1023981868664763
Energy: 1.1795352856873789
Energy: 1.0984135317964634
Energy: 1.0989790159174178
Energy: 1.121808110917161
Energy: 1.0983309858874437
Energy: 1.0991016711274813
Energy: 1.122525243950022
Energy: 1.0980985154114313
Energy: 1.0987627036142726
Energy: 1.1233786642203838
Energy: 1.13531149957635
Energy: 1.0988542675253743
Energy: 1.0527470826104597
Energy: 1.122239643727161
Energy: 1.10163845613655
Energy: 1.0527022159118813
Energy: 1.125716594278057
Energy: 1.10161497810444
Energy: 1.0981215991751614
Energy: 1.1035388310030694
Energy: 1.1054206289745996
Energy: 1.0599830862643276
Energy: 1.103094182614242
Energy: 1.0604012188262824
Energy: 1.0536488643200745
Energy: 1.1010820375240424
Energy: 1.1021822539041637
Energy: 1.0537668890332799
Energy: 1.102659121736283
Energy: 1.0348315400465968
Energy: 1.0533695227158302
Energy: 1.0630318918388806
Energy: 1.0627870607408867
Energy: 1.0543062416165405
Energy: 1.0632462281852648
Energy: 1.034084848207167
Energy: 1.048763493320412
Energy: 1.0618290202664251
Energy: 1.0618229132393755
Energy: 1.063486304687728
Energy: 1.041259662251294
Energy: 1.0636811850528076
Energy: 1.0483435804613614
Energy: 0.99132043105126
Energy: 0.9907280636891569
Energy: 1.0499600708985322
Energy: 0.991731209428534
Energy: 0.9902217817735929
Energy: 1.0479691750735438
Energy: 1.057803981707531
Energy: 1.0589563420253083
Energy: 1.060974586985125
Energy: 1.0254451042645325
Energy: 1.0603281106487787
Energy: 0.989490264009157
Energy: 1.0570590140174292
Energy: 1.057800932105035
Energy: 0.9894947907634901
Energy: 1.053456654697878
Energy: 0.9889683223910617
Energy: 0.9891447773157869
Energy: 1.0618596457153293
Energy: 1.063947117819638
Energy: 0.9890290720109687
Energy: 1.0645838565561352
Energy: 0.989479766329215
Energy: 1.0578050972082795
Energy: 1.0646679455018104
Energy: 1.0646563470138266
Energy: 0.9722746912079708
Energy: 1.0483391455736517
Energy: 1.0542818733455364
Energy: 1.0628995813218114
Energy: 1.0563037843486993
Energy: 1.0335225465040307
Energy: 1.0642730212026232
Energy: 1.0547009354152057
Energy: 1.0323620829958697
Energy: 1.1043647374717858
Energy: 1.0585442920922237
Energy: 1.0594697266972952
Energy: 1.1049110970739462
Energy: 1.0729801486303647
Energy: 1.1024799793313493
Energy: 1.1799095274944673
Energy: 1.0615306194425966
Energy: 1.0595918306259362
Energy: 1.1217280090661048
Energy: 1.057853632146788
Energy: 1.0586621674912076
Energy: 1.1876541465334638
Energy: 1.1241988600172015
Energy: 1.1215288908588137
Energy: 1.1245068461236905
Energy: 1.1235460499871353
Energy: 1.1108125079363225
Energy: 1.1340952003913838
Energy: 1.1223365656621833
Energy: 1.139217107250964
Energy: 1.0594607742385496
Energy: 1.1218914827218214
Energy: 1.056550308916846
Energy: 1.0963740501316812
Energy: 1.122346498928271
Energy: 1.1221662571601942
Energy: 1.0966826916214807
Energy: 1.1251877566614972
Energy: 1.103838893616733
Energy: 1.1794069727529297
Energy: 1.0982413729960627
Energy: 1.0987392947677637
Energy: 1.122125034027846
Energy: 1.0974961793205997
Energy: 1.0987131109234622
Energy: 1.122836615134866
Energy: 1.0985353966149418
Energy: 1.0991914222986379
Energy: 1.1230427389671338
Energy: 1.098126914490019
Energy: 1.0992148130679085
Energy: 1.05340911258042
Energy: 1.1222356919975958
Energy: 1.102576051853309
Energy: 1.0532479503376495
Energy: 1.124291952086412
Energy: 1.1024314690620365
Energy: 1.0978272618314588
Energy: 1.1035976621714547
Energy: 1.1045390585498114
Energy: 1.0599700927787163
Energy: 1.1034805701248487
Energy: 1.0619901720015215
Energy: 1.0536456870457287
Energy: 1.1057547159918706
Energy: 1.1022537019818688
Energy: 1.0537353123149154
Energy: 1.1427555281177109
Energy: 1.087767366459572
Energy: 1.0533990512381184
Energy: 1.0630380445478531
Energy: 1.0626551856485247
Energy: 1.053525468618339
Energy: 1.0628684756717637
Energy: 1.0340181446887016
Energy: 1.0474043352579707
Energy: 1.0619557452202353
Energy: 1.0629746925014443
Energy: 1.0506655093592556
Energy: 1.0416705763747363
Energy: 1.0639763961280473
Energy: 1.0477447441005525
Energy: 0.9909550025817776
Energy: 0.9908453709550288
Energy: 1.0495733707558093
Energy: 0.9917842995750545
Energy: 0.9903956555942637
Energy: 1.0495666852444887
Energy: 1.0468765175324215
Energy: 1.0575364858061356
Energy: 0.9901479021036632
Energy: 1.025505295108377
Energy: 1.0576812893361944
Energy: 0.9889466450232725
Energy: 1.0573593279422293
Energy: 1.0574755704267043
Energy: 0.989038652753968
Energy: 1.0552209013388685
Energy: 1.0577800033456628
Energy: 0.9921164294491346
Energy: 1.0652247406719015
Energy: 1.0406098998561897
Energy: 0.9927394478669087
Energy: 1.0634103849254137
Energy: 0.9898832535096574
Energy: 1.0578638691975228
Energy: 1.0643245711522755
Energy: 1.0648075008774835
Energy: 1.0532018146370468
Energy: 1.0489014312989606
Energy: 1.0538370279127274
Energy: 1.0577306716293569
Energy: 1.055656288962293
Energy: 1.0340670547095103
Energy: 1.0575105709626227
Energy: 1.0553970471226508
Energy: 1.0326353421613599
Energy: 1.1031476524761272
Energy: 1.0665139071689462
Energy: 1.1033635511382367
Energy: 1.1047445874843598
Energy: 1.0028195923827532
Energy: 1.1031014534908716
Energy: 1.1777849811414915
Energy: 1.0618538795517833
Energy: 1.0583861711865958
Energy: 1.1228622393166945
Energy: 1.0508230138610362
Energy: 1.0579822326201664
Energy: 1.1887844335947655
Energy: 1.1237885749177918
Energy: 1.1026969986275206
Energy: 1.1239008919935523
Energy: 1.1249412535560404
Energy: 1.1018276218992127
Energy: 1.134149514131642
Energy: 1.1223924701612737
Energy: 1.137708762622021
Energy: 1.059973672906812
Energy: 1.1225197022282942
Energy: 1.0568735095184167

minimum gb energy = 0.9722746912079708 eV
minimum distance =  2.27742436178262 Angstroms
sigma value = 41


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

Energy: 1.3064356850918857
Energy: 1.2863934051432309
Energy: 1.3162878035896488
Energy: 1.2425759997401173
Energy: 1.266822120056109
Energy: 1.3072930577274966
Energy: 1.3136662827170185
Energy: 1.240905426394525
Energy: 1.2357426653047285
Energy: 1.236256098596775
Energy: 1.2369829215048789
Energy: 1.237669347890602
Energy: 1.323208263713047
Energy: 1.2282623220643376
Energy: 1.2282551505695418
Energy: 1.2413251243911894
Energy: 1.1809160164451116
Energy: 1.2290813869719532
Energy: 1.2379092409827057
Energy: 1.2278034055031677
Energy: 1.228032852655544
Energy: 1.2391316655625768
Energy: 1.2162867706759637
Energy: 1.2390070289704656
Energy: 1.1812507361171412
Energy: 1.2431026948493604
Energy: 1.2360896938883743
Energy: 1.1816767536624264
Energy: 1.2399279619082615
Energy: 1.2345318678941555
Energy: 1.211261670842337
Energy: 1.2346983095853061
Energy: 1.2343219802399203
Energy: 1.1765736667703035
Energy: 1.2177618935562484
Energy: 1.234635753296131
Energy: 1.18063376916022
Energy: 1.240211206440132
Energy: 1.2398345778422017
Energy: 1.1806254311649476
Energy: 1.238854882235947
Energy: 1.179168006611672
Energy: 1.1814526564881995
Energy: 1.217167737986474
Energy: 1.1791677273801133
Energy: 1.1795657590037048
Energy: 1.1815144026242923
Energy: 1.179891087563903
Energy: 1.1763461627336236
Energy: 1.2197071630353569
Energy: 1.2161778095416036
Energy: 1.17753780942837
Energy: 1.1840568017671107
Energy: 1.2151581211324942
Energy: 1.2182329736905801
Energy: 1.185787473365583
Energy: 1.177456780783926
Energy: 1.2204096340070363
Energy: 1.180757257866723
Energy: 1.1794015296810683
Energy: 1.2168323510762595
Energy: 1.2441867699012206
Energy: 1.2376716944711825
Energy: 1.218352581323671
Energy: 1.2007665198958986
Energy: 1.235707469729729
Energy: 1.3158946523584765
Energy: 1.208981087700206
Energy: 1.2085164312032781
Energy: 1.239873290415847
Energy: 1.2202867603362892
Energy: 1.2081536918707019
Energy: 1.3158435515345615
Energy: 1.2466145949085377
Energy: 1.2288758078005495
Energy: 1.237687236878885
Energy: 1.2431482392644766
Energy: 1.2365960194577763
Energy: 1.2413102080544547
Energy: 1.2379346504928082
Energy: 1.2449381364991359
Energy: 1.1387548651103572
Energy: 1.2376961867615857
Energy: 1.2444411223771727

minimum gb energy = 1.1387548651103572 eV
minimum distance =  2.25857550879067 Angstroms
sigma value = 11


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

Energy: 1.8342466354617997
Energy: 1.3386296849347308
Energy: 1.3961846323994043
Energy: 1.4901185518767452
Energy: 1.3524640811613966
Energy: 1.4542425166964086
Energy: 1.48131924799342
Energy: 1.3246688907976185
Energy: 1.3316444722787053
Energy: 1.3340061180558878
Energy: 1.334803106205339
Energy: 1.3267858982350975
Energy: 1.4809419843165352
Energy: 1.3352746608929806
Energy: 1.3371136086566937
Energy: 1.462116191065734
Energy: 1.3363107961403267
Energy: 1.344720017708334
Energy: 1.3366588033014772
Energy: 1.3360743754035245
Energy: 1.3427596238984563
Energy: 1.3361489355585106
Energy: 1.335118533888216
Energy: 1.3443329978726608
Energy: 1.3339589312627942
Energy: 1.3241121757255767
Energy: 1.3328427259807085
Energy: 1.3338857086292617
Energy: 1.325484437321844
Energy: 1.348816678465667
Energy: 1.33455036288514
Energy: 1.3396039230872605
Energy: 1.3551751566895098
Energy: 1.343323567558406
Energy: 1.3251119319140243
Energy: 1.3496972641689144
Energy: 1.3594168870668077
Energy: 1.3506806977672945
Energy: 1.3502014472827606
Energy: 1.3448483279180166
Energy: 1.3407939605360883
Energy: 1.352508987189406
Energy: 1.3430724953291908
Energy: 1.342430174860455
Energy: 1.3484044826264676
Energy: 1.3244709258740657
Energy: 1.3441573269479186
Energy: 1.33356460835384
Energy: 1.3408045671135929
Energy: 1.336497234251289
Energy: 1.3435623250089987
Energy: 1.3342902881001193
Energy: 1.3382223180570494
Energy: 1.3436934514450942
Energy: 1.340770271212213
Energy: 1.336544664100868
Energy: 1.3438865810320793
Energy: 1.331780710689125
Energy: 1.338038020522282
Energy: 1.3434377133280218
Energy: 1.3602769081599364
Energy: 1.3364030578447845
Energy: 1.3553563634787937
Energy: 1.3367918260894107
Energy: 1.327320366585635
Energy: 1.323988686780037
Energy: 1.3353268621046217
Energy: 1.3291424702837915
Energy: 1.3286902423681812
Energy: 1.3354344078967797
Energy: 1.3376631817240299
Energy: 1.3284846492509783
Energy: 1.3362961162370215
Energy: 1.333291304556528
Energy: 1.3342481908937358
Energy: 1.3361922133542237
Energy: 1.3334210250818213
Energy: 1.3308206686808102
Energy: 1.3317662435896305
Energy: 1.3374202267182194
Energy: 1.3355819203886035
Energy: 1.3403576757208497
Energy: 1.4634258017500676
Energy: 1.3342963469679816
Energy: 1.3269374846165067
Energy: 1.3347323235206239
Energy: 1.3345094650177571
Energy: 1.3273241192549228
Energy: 1.3354475456645842
Energy: 1.3409859219292597
Energy: 1.3213440449995932
Energy: 1.3420515451232897
Energy: 1.3419183991809949
Energy: 1.3223481130615387
Energy: 1.344113013568027
Energy: 1.3376267967872657
Energy: 1.3203993868737116
Energy: 1.3472294978370918
Energy: 1.3504485088053595
Energy: 1.3207195471802065
Energy: 1.3295702860816432
Energy: 1.3501518779892696
Energy: 1.3221609480472842
Energy: 1.3818499381719769
Energy: 1.367621827901829
Energy: 1.3584099716999172
Energy: 1.3978613252708671
Energy: 1.3422515950238982
Energy: 1.3269465050037794
Energy: 1.3219378059408664
Energy: 1.3235593845073792
Energy: 1.327640638613671
Energy: 1.3219556437418865
Energy: 1.3419469926755956
Energy: 1.3251004360147058
Energy: 1.3390614500627005
Energy: 1.3379561051173887
Energy: 1.3260500644996358
Energy: 1.3394955275764862
Energy: 1.3208351745725024
Energy: 1.3973311488721505
Energy: 1.3420904832582985
Energy: 1.335842225768325
Energy: 1.3243457164180914
Energy: 1.3420723036097184
Energy: 1.3212310613174287
Energy: 1.3548006462158153
Energy: 1.3215649265496519
Energy: 1.320891828803382
Energy: 1.331436676790519
Energy: 1.3243439040768363
Energy: 1.3262503633091245
Energy: 1.3692364034206999
Energy: 1.326343746432732
Energy: 1.3296997867681122
Energy: 1.3354449251040534
Energy: 1.3261837607726799
Energy: 1.3296959893693276
Energy: 1.3959656595600918
Energy: 1.3282462292213597
Energy: 1.3394682300796845
Energy: 1.3213554514437766
Energy: 1.319576300992027
Energy: 1.323474887008211
Energy: 1.3970867353087426
Energy: 1.3413042642387352
Energy: 1.3329039922757924
Energy: 1.3987446603588303
Energy: 1.3492271944678607
Energy: 1.3308344733123432
Energy: 1.342287480716377
Energy: 1.3430926596946373
Energy: 1.3429108023281149
Energy: 1.3297168144098
Energy: 1.342397958934127
Energy: 1.3502282574215894
Energy: 1.3399561484811169
Energy: 1.3210447584808744
Energy: 1.3392604749750678
Energy: 1.3423087180435282
Energy: 1.323054345100342
Energy: 1.3415103905891435
Energy: 1.3396837702394229
Energy: 1.3574363962195324
Energy: 1.3420146925588925
Energy: 1.3456651535787947
Energy: 1.3443759878449009
Energy: 1.3429040143557687
Energy: 1.352733282871676
Energy: 1.3374660146869628
Energy: 1.320996383130018
Energy: 1.4819638183189565
Energy: 1.3440069107799906
Energy: 1.3233512905095308
Energy: 1.481035521936845
Energy: 1.3492792869057566
Energy: 1.3265333383970839
Energy: 1.334022789554386
Energy: 1.3364582360368282
Energy: 1.3257847644209277
Energy: 1.3914431585632498
Energy: 1.3368856028793394
Energy: 1.3188977556626906
Energy: 1.3400712088320665
Energy: 1.336507453875292
Energy: 1.318792601680158

minimum gb energy = 1.318792601680158 eV
minimum distance =  2.20424429582419 Angstroms
sigma value = 57


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

Energy: 1.6669528794887571
Energy: 1.3645718517654433
Energy: 1.4339142189929879
Energy: 1.4683078677090085
Energy: 1.3645564740315104
Energy: 1.4340436704036057
Energy: 1.4360240015803243
Energy: 1.3649451847866785
Energy: 1.3635295954689737
Energy: 1.3614109104935361
Energy: 1.364157524332597
Energy: 1.3929601062329269
Energy: 1.4337164916513983
Energy: 1.3761613653469258
Energy: 1.374978560393571
Energy: 1.4346243667003877
Energy: 1.3422030912324985
Energy: 1.3649071109547544
Energy: 1.3628254493931953
Energy: 1.366838473238904
Energy: 1.3917487701741287
Energy: 1.3636142445952637
Energy: 1.3449721560478212
Energy: 1.4013970979787977
Energy: 1.361097716903772
Energy: 1.3664190262677895
Energy: 1.3626202466790351
Energy: 1.3617978001439421
Energy: 1.365156946199495
Energy: 1.3933495922884338
Energy: 1.3656547152488778
Energy: 1.4246130473538061
Energy: 1.4231652005357565
Energy: 1.3671735588730405
Energy: 1.419693573601591
Energy: 1.3866409103830466
Energy: 1.4152724283549427
Energy: 1.3235530417531898
Energy: 1.3251313250899523
Energy: 1.416490148727712
Energy: 1.330803394224974
Energy: 1.4240527690992326
Energy: 1.415850808709454
Energy: 1.3643365513605656
Energy: 1.3854187257250103
Energy: 1.3660541372348596
Energy: 1.3627806058478726
Energy: 1.3994531161057784
Energy: 1.3791905351049474
Energy: 1.4000065594760724
Energy: 1.3300855096900472
Energy: 1.326553821628647
Energy: 1.3951383176920515
Energy: 1.3319883498468998
Energy: 1.37886738114307
Energy: 1.3637183077675359
Energy: 1.323908872036781
Energy: 1.3260130017575509
Energy: 1.3649055534728132
Energy: 1.3235147494892416
Energy: 1.4184101915753602
Energy: 1.3633915991504748
Energy: 1.3733980059898654
Energy: 1.365864781211638
Energy: 1.3655383696576866
Energy: 1.3996209192102333
Energy: 1.3638807583379648
Energy: 1.3437311474529015
Energy: 1.3739951751240156
Energy: 1.362530095612769
Energy: 1.3425133231832937
Energy: 1.3642771728728074
Energy: 1.3630525814776207
Energy: 1.36415874604264
Energy: 1.3653984225367972
Energy: 1.363439171153436
Energy: 1.3631897920947114
Energy: 1.389463184492513
Energy: 1.364212715795053
Energy: 1.3653510547936292
Energy: 1.3634128664372474
Energy: 1.3754541121514192
Energy: 1.4175261327697144
Energy: 1.3649432012516098
Energy: 1.3631012154419797
Energy: 1.3238569043216566
Energy: 1.3841906570338418
Energy: 1.3630118170910284
Energy: 1.3266934092253637
Energy: 1.387985940152446
Energy: 1.4323724167082268
Energy: 1.3231926946387957
Energy: 1.3240128532144984
Energy: 1.4336084393071515
Energy: 1.3276038773106384
Energy: 1.3797203499029878
Energy: 1.3786690243862076
Energy: 1.3618121604697138
Energy: 1.3637819445957469
Energy: 1.3788072308316601
Energy: 1.3661395141871069
Energy: 1.3958827010414236

minimum gb energy = 1.3231926946387957 eV
minimum distance =  2.23790938160272 Angstroms
sigma value = 9


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

Energy: 2.0669762285282753
Energy: 1.4359334263726522
Energy: 1.440342115935458
Energy: 1.4408891171151903
Energy: 1.4338315832523134
Energy: 1.4343751265747615
Energy: 1.4693935821915194
Energy: 1.426016599109577
Energy: 1.410177306474485
Energy: 1.4109251074124174
Energy: 1.4231151052282176
Energy: 1.4106681916644157
Energy: 1.500396945280236
Energy: 1.4034232436509637
Energy: 1.4065628242827297
Energy: 1.4701878947955245
Energy: 1.4176484728191932
Energy: 1.409445470388575
Energy: 1.428033230685969
Energy: 1.4075726423868504
Energy: 1.4043962474766496
Energy: 1.4294990917498114
Energy: 1.4126298336553762
Energy: 1.4043269048635303
Energy: 1.4117713318519163
Energy: 1.3955667116609904
Energy: 1.3949685824734726
Energy: 1.4151132192123241
Energy: 1.409362548289875
Energy: 1.394757504195989
Energy: 1.4144053360511142
Energy: 1.400648923577212
Energy: 1.3972117549260896
Energy: 1.4174102224213705
Energy: 1.4070409928542855
Energy: 1.3993566901011247
Energy: 1.4192940058956884
Energy: 1.3965023640667587
Energy: 1.4114299662324647
Energy: 1.4201272015135595
Energy: 1.3968515738634755
Energy: 1.4138338741838161
Energy: 1.4798310274045716
Energy: 1.4056490426891917
Energy: 1.4002102045074196
Energy: 1.4195119645692924
Energy: 1.3976568247895405
Energy: 1.4006159692057005
Energy: 1.524485350242269
Energy: 1.3979317811117284
Energy: 1.4002802081186514
Energy: 1.4241011428177681
Energy: 1.3946207319454065
Energy: 1.4024889506272353
Energy: 1.5242737138319047
Energy: 1.3986827330471387
Energy: 1.3990528370185895
Energy: 1.4241931698027488
Energy: 1.3957248507773694
Energy: 1.4016537753645228
Energy: 1.4975851603161918
Energy: 1.4050479484616685
Energy: 1.400908675770381
Energy: 1.3947999680771332
Energy: 1.4147710946507763
Energy: 1.403375699146452
Energy: 1.487548715280647
Energy: 1.4065928650200166
Energy: 1.408156264089463
Energy: 1.405917611239124
Energy: 1.4137953854956846
Energy: 1.4114004665361624
Energy: 1.5421599729576
Energy: 1.451501852341773
Energy: 1.4497936071047983
Energy: 1.4017316510928193
Energy: 1.4587951309105363
Energy: 1.3986272799311232
Energy: 1.5327311491887838
Energy: 1.4106109345728655
Energy: 1.4049334587895268
Energy: 1.5384553756934387
Energy: 1.49201156334719
Energy: 1.404028618586934
Energy: 1.4808953425152387
Energy: 1.4031176259602813
Energy: 1.3999673903078396
Energy: 1.4044019762748217
Energy: 1.3977360031555375
Energy: 1.3964096918118036
Energy: 1.4565866169135744
Energy: 1.4056959335408357
Energy: 1.4013363569170256
Energy: 1.426883576871851
Energy: 1.4150314963473825
Energy: 1.3970337144758775
Energy: 1.4824431902897137
Energy: 1.4088312705975163
Energy: 1.4059092162037703
Energy: 1.4835280093620034
Energy: 1.415890607827085
Energy: 1.4047129372116298
Energy: 1.5071419319034198
Energy: 1.4716228704718142
Energy: 1.4707848828539776
Energy: 1.4170455525950998
Energy: 1.4714886213481564
Energy: 1.4715310827878014
Energy: 1.4977099848893585
Energy: 1.4089670980877143
Energy: 1.4063605882818258
Energy: 1.4946112947008952
Energy: 1.4311880120789535
Energy: 1.4058830127489759
Energy: 1.4978471081587335
Energy: 1.4082544011618008
Energy: 1.4055250946937081
Energy: 1.4651268900226588
Energy: 1.4203380737506102
Energy: 1.4055403453913695
Energy: 1.4818723600548886
Energy: 1.4229185551777492
Energy: 1.4232034562200528
Energy: 1.4192154855686228
Energy: 1.404876861089531
Energy: 1.4238645814429505

minimum gb energy = 1.3946207319454065 eV
minimum distance =  2.18397744067556 Angstroms
sigma value = 27


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

Energy: 1.4330036763702059
Energy: 1.8705904025183322
Energy: 1.3238708681828333
Energy: 1.3173193731593222
Energy: 1.8714635543842222
Energy: 1.4194745896563807
Energy: 1.4970267987110775
Energy: 1.3833627256556014
Energy: 1.3757623823303828
Energy: 1.3853625017967925
Energy: 1.3951510639890266
Energy: 1.3739584252803791
Energy: 1.5311711482038128
Energy: 1.3636961503988205
Energy: 1.3650443530394856
Energy: 1.4380865943390513
Energy: 1.355867614704331
Energy: 1.364235244847746
Energy: 1.508077330231208
Energy: 1.3685652118851162
Energy: 1.406382772368549
Energy: 1.425368951633241
Energy: 1.3646934234614112
Energy: 1.3646805718687216
Energy: 1.3638985384260218
Energy: 1.3836937894568209
Energy: 1.4082753718309753
Energy: 1.3652143645172055
Energy: 1.4016588991894376
Energy: 1.4097172659286863
Energy: 1.4767336454175088
Energy: 1.365775734164861
Energy: 1.411370866708853
Energy: 1.426800181191789
Energy: 1.3699614616681004
Energy: 1.438399352947839
Energy: 1.5026739935205344
Energy: 1.3256284965049416
Energy: 1.3226325594019541
Energy: 1.4124848087907245
Energy: 1.3255344485433052
Energy: 1.3217569974222785
Energy: 1.522257436813607
Energy: 1.3355471262986374
Energy: 1.407422654925467
Energy: 1.4498382742720264
Energy: 1.3366957105380284
Energy: 1.4120551107504629
Energy: 1.6590856236492217
Energy: 1.407188266897437
Energy: 1.4088542544153595
Energy: 1.4038556321733968
Energy: 1.4448250716846402
Energy: 1.4043109630475163
Energy: 1.659621371002481
Energy: 1.431856447105677
Energy: 1.4085453609296743
Energy: 1.4046739541282824
Energy: 1.4672285896155042
Energy: 1.404217081475326
Energy: 1.5231207779037408
Energy: 1.4218079483955404
Energy: 1.4146019430216101
Energy: 1.441150835344842
Energy: 1.3650583170833481
Energy: 1.442642869196689
Energy: 1.525985253598582
Energy: 1.4185364295095664
Energy: 1.417591261701498
Energy: 1.4523923133801058
Energy: 1.41625275240272
Energy: 1.4188391029851584
Energy: 1.31610612121629
Energy: 1.4146795872273052
Energy: 1.3225258154748538
Energy: 1.319146137520766
Energy: 1.4141538643391898
Energy: 1.3211048281319198
Energy: 1.3247560072984361
Energy: 1.4171014564379605
Energy: 1.4179849102891533
Energy: 1.3199076199211308
Energy: 1.4680447233861527
Energy: 1.3266987731457818
Energy: 1.5199498219351335
Energy: 1.4139900573184692
Energy: 1.413366439908455
Energy: 1.453484148045495
Energy: 1.411002841282018
Energy: 1.4160533985017119
Energy: 1.5133221977403397
Energy: 1.413152139115415
Energy: 1.4125802872311704
Energy: 1.468019469197476
Energy: 1.4156931266763135
Energy: 1.4147414712293334
Energy: 1.3636044666653697
Energy: 1.4357167947345795
Energy: 1.4369460224400803
Energy: 1.3646697358374174
Energy: 1.4357101617451031
Energy: 1.4118941970370904
Energy: 1.4725786320184724
Energy: 1.4120932807040993
Energy: 1.409955716927316
Energy: 1.398133468919347
Energy: 1.4060465433331206
Energy: 1.4033711342435917
Energy: 1.4987421009375201
Energy: 1.3263852428903198
Energy: 1.323309835854736
Energy: 1.4365413706974608
Energy: 1.32299393146935
Energy: 1.3227369093370092
Energy: 1.5311086199575328
Energy: 1.3266943984886166
Energy: 1.323671117336571
Energy: 1.4022865701509013
Energy: 1.3234257758990065
Energy: 1.3230651882494904
Energy: 1.6712793773396837
Energy: 1.4064617054851396
Energy: 1.4099599211466138
Energy: 1.4068947197324735
Energy: 1.4440149768969568
Energy: 1.407963418891985
Energy: 1.3581937152804437
Energy: 1.3668496554655551
Energy: 1.3653864847797335
Energy: 1.359500008467927
Energy: 1.4052353373771718
Energy: 1.4044966967597916
Energy: 1.529636006268345
Energy: 1.3792057997980238
Energy: 1.3748742860209877
Energy: 1.3949286543335344
Energy: 1.3847242420874588
Energy: 1.3690068327147669
Energy: 1.5341975347259258
Energy: 1.368282421741772
Energy: 1.3644568662834309
Energy: 1.4409598022717385
Energy: 1.3709732629459677
Energy: 1.3636342431076318
Energy: 1.4350695159490716
Energy: 1.3965065135538715
Energy: 1.3765436747299529
Energy: 1.32053070383009
Energy: 1.3986279068789522
Energy: 1.3681802039081332

minimum gb energy = 1.31610612121629 eV
minimum distance =  2.20229902816837 Angstroms
sigma value = 19


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

Energy: 2.048376656326207
Energy: 1.4240574924799625
Energy: 1.3749806406112814
Energy: 1.282872824047965
Energy: 1.4823978964767506
Energy: 1.375086714711242
Energy: 1.4212119937983032
Energy: 1.33496545155075
Energy: 1.336986083061371
Energy: 1.330246647878461
Energy: 1.3354844670158954
Energy: 1.337139259905406
Energy: 1.4207793845066665
Energy: 1.3296892939105964
Energy: 1.3335862503463694
Energy: 1.3376011873292415
Energy: 1.3234004570645346
Energy: 1.3356697310326817
Energy: 1.403858319125521
Energy: 1.335271800685594
Energy: 1.3359940428261778
Energy: 1.3337611939033827
Energy: 1.3258073886834736
Energy: 1.3357974733680045
Energy: 1.336345288514865
Energy: 1.3350796063140848
Energy: 1.3425913529836342
Energy: 1.343514441899345
Energy: 1.3370084526065324
Energy: 1.3394747314279216
Energy: 1.36123464156816
Energy: 1.3378826452393142
Energy: 1.3362224440988781
Energy: 1.326673999446147
Energy: 1.351152066229225
Energy: 1.352967220792577
Energy: 1.4061793272223955
Energy: 1.3172704429727122
Energy: 1.3317570658131732
Energy: 1.3722328950182527
Energy: 1.3168853047436884
Energy: 1.2778412485151798
Energy: 1.3917520540894621
Energy: 1.3301465311530103
Energy: 1.3350732595274915
Energy: 1.3366062909113712
Energy: 1.3315979593404026
Energy: 1.3365772740097266
Energy: 1.3171602204088217
Energy: 1.3354157911373385
Energy: 1.3363989567573935
Energy: 1.3188479661658528
Energy: 1.3448993118931656
Energy: 1.3334629758479697
Energy: 1.3275495525995056
Energy: 1.3308929546530273
Energy: 1.3316947405930213
Energy: 1.3235106383732018
Energy: 1.3328957098383525
Energy: 1.331059620326819
Energy: 1.3933452543605078
Energy: 1.310010410752323
Energy: 1.317001088706749
Energy: 1.361663830337169
Energy: 1.2999037109079257
Energy: 1.3204362622551458
Energy: 1.438664531614837
Energy: 1.3203170324343676
Energy: 1.3244777316004435
Energy: 1.3248869795715872
Energy: 1.2874516644640366
Energy: 1.3382390934885495
Energy: 1.3945242033536362
Energy: 1.3392100751982117
Energy: 1.3201482048345519
Energy: 1.2798750999772184
Energy: 1.3335305520441085
Energy: 1.3160789532240758
Energy: 1.4759959527841753
Energy: 1.3346871907478415
Energy: 1.3363765819815545
Energy: 1.2797036519822853
Energy: 1.3322695216520895
Energy: 1.334296784046602
Energy: 1.4378755227334452
Energy: 1.3119012982045313
Energy: 1.3175979758955843
Energy: 1.3474472127751997
Energy: 1.285090950896218
Energy: 1.3232043250884264
Energy: 1.4374896499816479
Energy: 1.3208539009341949
Energy: 1.3210274624231595
Energy: 1.3171220052642116
Energy: 1.2890782531089384
Energy: 1.322907811541383
Energy: 1.3573207083632604
Energy: 1.3236300639055176
Energy: 1.3196611032315944
Energy: 1.2865406331137161
Energy: 1.3231083968582813
Energy: 1.310652267078891
Energy: 1.432674692090479
Energy: 1.322571618081311
Energy: 1.3237431581676595
Energy: 1.27577374059389
Energy: 1.3232178459435926
Energy: 1.3218414191097303
Energy: 1.437574594519899
Energy: 1.2802779470068493
Energy: 1.3180773019567684
Energy: 1.3388859751892979
Energy: 1.2794780804063557
Energy: 1.3230385061350576
Energy: 1.391640139135349
Energy: 1.2803753833585898
Energy: 1.3192123293458464
Energy: 1.3229839585330385
Energy: 1.2793769122323093
Energy: 1.322594502816704
Energy: 1.2897495715908747
Energy: 1.32220851241935
Energy: 1.3230165536402176
Energy: 1.2854219782362994
Energy: 1.3229447983974485
Energy: 1.3199567899807767
Energy: 1.3007328187748213
Energy: 1.3128800571354315
Energy: 1.3133647510466655
Energy: 1.2903068034534746
Energy: 1.321422411016597
Energy: 1.3233679790408668
Energy: 1.3897638520776394
Energy: 1.272753883440341
Energy: 1.3059427631200513
Energy: 1.332393748639478
Energy: 1.2707899635848885
Energy: 1.3219241495726683
Energy: 1.421142723455161
Energy: 1.2734191881110035
Energy: 1.3186863331294474
Energy: 1.3905850973406912
Energy: 1.2711476252881304
Energy: 1.3205519453193273
Energy: 1.4035658547180796
Energy: 1.323068373022215
Energy: 1.3228620138710996
Energy: 1.2852302120878114
Energy: 1.3351532666078634
Energy: 1.326768661121079
Energy: 1.3476519595845349
Energy: 1.3227489309136735
Energy: 1.3253332916249718
Energy: 1.3140522658999725
Energy: 1.3241914577718632
Energy: 1.3223961962665818
Energy: 1.4219183173717398
Energy: 1.3344654688134363
Energy: 1.3327234686947702
Energy: 1.3316698878227726
Energy: 1.3310108730013266
Energy: 1.3338655538616497
Energy: 1.4224625598701712
Energy: 1.3309809435961981
Energy: 1.3361106942033103
Energy: 1.3443974875039426
Energy: 1.3228747975394994
Energy: 1.3375217294991957
Energy: 1.4270937669478208
Energy: 1.3362971656141989
Energy: 1.3358781371611006
Energy: 1.2700219376627035
Energy: 1.3806976506126851
Energy: 1.3163988610043875

minimum gb energy = 1.2700219376627035 eV
minimum distance =  2.20739386730715 Angstroms
sigma value = 101


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

Energy: 1.8901972794904807
Energy: 1.2514614927348848
Energy: 1.280381405588189
Energy: 1.2069269500346267
Energy: 1.2845656042708327
Energy: 1.2071966846128999
Energy: 1.3987917927699647
Energy: 1.253809357799415
Energy: 1.2864395511407638
Energy: 1.2541949675786979
Energy: 1.2857478823899091
Energy: 1.2838738419166575
Energy: 1.3980598900697299
Energy: 1.2530767104253737
Energy: 1.2677892401028004
Energy: 1.3176247752804295
Energy: 1.2497412414413378
Energy: 1.2728082280762418
Energy: 1.3574415663298665
Energy: 1.2705897200985241
Energy: 1.2859632598173352
Energy: 1.2883486680880887
Energy: 1.2539854316267793
Energy: 1.2856143236007387
Energy: 1.264607605829048
Energy: 1.3182699868717842
Energy: 1.3095830928159988
Energy: 1.2684985547559398
Energy: 1.275307763730233
Energy: 1.2852425345693494
Energy: 1.3134079316767453
Energy: 1.2867369367334498
Energy: 1.2864197362853589
Energy: 1.2579733184859396
Energy: 1.286579295963307
Energy: 1.2863079818811376
Energy: 1.300593321659148
Energy: 1.2485878314557974
Energy: 1.2335798764681847
Energy: 1.326367996608974
Energy: 1.2486017232991566
Energy: 1.234013507443668
Energy: 1.2559254900208197
Energy: 1.2542538147924744
Energy: 1.2671475233825018
Energy: 1.276720061125952
Energy: 1.262870929745857
Energy: 1.2719034800650777
Energy: 1.239998861709303
Energy: 1.2707121334897467
Energy: 1.2696620802317113
Energy: 1.2420002644827288
Energy: 1.3117410655654835
Energy: 1.2693345119446187
Energy: 1.2459739445200757
Energy: 1.2851538679513255
Energy: 1.2850299816051565
Energy: 1.2400557557764353
Energy: 1.285196616776713
Energy: 1.2844369220371066
Energy: 1.3429506203389001
Energy: 1.2042562977173235
Energy: 1.2042054443698667
Energy: 1.2670280129654268
Energy: 1.2092744281281511
Energy: 1.2053811001426629
Energy: 1.402616948643941
Energy: 1.288915211421396
Energy: 1.2847447973367656
Energy: 1.2867815072370619
Energy: 1.2614404290459114
Energy: 1.284427222039274
Energy: 1.298023916720597
Energy: 1.3141451476847301
Energy: 1.2850529198695644
Energy: 1.236630632853284
Energy: 1.3165703893907184
Energy: 1.2801013940176498
Energy: 1.300606401719529
Energy: 1.2866128291181027
Energy: 1.2886101937963272
Energy: 1.2341358436907404
Energy: 1.286508717998962
Energy: 1.2866977226756113
Energy: 1.4002664829930496
Energy: 1.2526719312260615
Energy: 1.2493506559514889
Energy: 1.3201671666856476
Energy: 1.248932527198935
Energy: 1.27945092598964
Energy: 1.3981836988131375
Energy: 1.2525401796180173
Energy: 1.2869327586392085
Energy: 1.2860138236488554
Energy: 1.2524049299706532
Energy: 1.2860914278948405
Energy: 1.3280345593299203
Energy: 1.2816750130281698
Energy: 1.2792794145089292
Energy: 1.2057496017649136
Energy: 1.34793365261739
Energy: 1.2029084808665114
Energy: 1.4665099355317215
Energy: 1.2685758374430103
Energy: 1.2681131624150421
Energy: 1.2887831993029344
Energy: 1.2677726691802516
Energy: 1.282305041674034
Energy: 1.3977460325315725
Energy: 1.2518230969095272
Energy: 1.2672383775472453
Energy: 1.3114599214316294
Energy: 1.2516563730588135
Energy: 1.270084611728448
Energy: 1.3636693675032163
Energy: 1.2525178176036904
Energy: 1.2706758326160559
Energy: 1.2693866974208576
Energy: 1.2526270177880912
Energy: 1.2682758414138429
Energy: 1.2665054104841884
Energy: 1.2688364770209253
Energy: 1.2707157184309077
Energy: 1.2690005463458913
Energy: 1.2710574219068855
Energy: 1.291181563908034
Energy: 1.3127240626377998
Energy: 1.2526244890436993
Energy: 1.2872304175743001
Energy: 1.2534877264478819
Energy: 1.252825558387275
Energy: 1.2859535425068476
Energy: 1.3665160625331436
Energy: 1.233592437866009
Energy: 1.2334068964399785
Energy: 1.2519152800985265
Energy: 1.2386149077412578
Energy: 1.256502982825574
Energy: 1.3449745044015329
Energy: 1.234218744681143
Energy: 1.2576767666688606
Energy: 1.2525123988483027
Energy: 1.23353162194043
Energy: 1.2694746606270515
Energy: 1.2461866104856922
Energy: 1.252753315871209
Energy: 1.266723315992247
Energy: 1.2427963043967938
Energy: 1.2713004120926457
Energy: 1.2705192316127674
Energy: 1.2405622723457992
Energy: 1.2907997817302628
Energy: 1.2867357508016681
Energy: 1.2425754851558022
Energy: 1.2868334000252066
Energy: 1.2855345293686493
Energy: 1.3515858391362794
Energy: 1.2051392390642655
Energy: 1.204884050596793
Energy: 1.2603737504103556
Energy: 1.209364834062454
Energy: 1.2064666374752289
Energy: 1.401277989996143
Energy: 1.2062944798368211
Energy: 1.208547125135868
Energy: 1.3154531380465402
Energy: 1.2057399082341058
Energy: 1.2876473319969526
Energy: 1.2997626209781883
Energy: 1.2767063157460703
Energy: 1.2820785986449255
Energy: 1.2341606552141222
Energy: 1.331189479584724
Energy: 1.281785061228226
Energy: 1.2990671698999658
Energy: 1.2761584142661835
Energy: 1.284234206872363
Energy: 1.2375409042506218
Energy: 1.2788627009150637
Energy: 1.280463836323551
Energy: 1.3995264993460974
Energy: 1.2618319469227244
Energy: 1.2787586207927186
Energy: 1.2813218364379728
Energy: 1.257627384729236
Energy: 1.2850085380007379
Energy: 1.397500774387999
Energy: 1.2518822730974632
Energy: 1.2541232447215185
Energy: 1.2520848329063077
Energy: 1.2405240031895588
Energy: 1.2723416955591174
Energy: 1.3259162932358837
Energy: 1.2714433389659934
Energy: 1.2797012656830122
Energy: 1.2032820174453527
Energy: 1.2519522848696085
Energy: 1.2888164330477643

minimum gb energy = 1.2029084808665114 eV
minimum distance =  2.19487914275035 Angstroms
sigma value = 33


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

Energy: 0.020206945989238126
Energy: 1.3103248137373686
Energy: 0.02081603437863536
Energy: 0.022614296425896862
Energy: 1.311553105074512
Energy: 0.02077234876639804
Energy: 0.5827303659875962
Energy: 0.165347736882645
Energy: 0.16289713308803386
Energy: 0.1632568739919825
Energy: 0.1629565401673134
Energy: 0.16239124725140466
Energy: 1.7388572900804438
Energy: 1.3142678396747518
Energy: 1.3125134704877468
Energy: 1.3094297121111975
Energy: 1.3115991020044782
Energy: 1.3120031824727754
Energy: 0.02216367360776808
Energy: 0.1653477368812402
Energy: 0.16289713308574455
Energy: 0.16325687399245079
Energy: 0.16295654016960273
Energy: 0.16239124725052015

minimum gb energy = 0.020206945989238126 eV
minimum distance =  2.45527297278166 Angstroms
sigma value = 1