Model name: model_name=EAM_Dynamo_BelandLuOsetskiy_2016_CoNi__MO_871937946490_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=3.520013511180878
cohesive_energy=4.422209022875811
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=[2.0873157187751997e-19, 2.93528372408604e-19, 3.57363896037066e-19, 4.08974811948108e-19, 4.52147063527872e-19, 4.88990717403336e-19, 5.2083397800408595e-19, 5.48580472951698e-19, 5.72879083782942e-19, 5.942184743711879e-19, 6.1297675840206e-19, 6.294487363762139e-19, 6.43881143495286e-19, 6.5647104748525795e-19, 6.67388279069334e-19, 6.76772227614672e-19, 6.8474626072209e-19, 6.914145198727981e-19, 6.96869931311568e-19, 7.01191001693466e-19, 7.044498289670219e-19, 7.067121023742299e-19, 7.08030693744012e-19, 7.084600770819239e-19, 7.07998650211332e-19, 7.06510228118346e-19, 7.0381216266669e-19, 6.99689762187408e-19, 6.93888280595694e-19, 6.8610009997782e-19, 6.759551175313319e-19, 6.630079281519779e-19, 6.4671058743093e-19, 6.26398192065078e-19, 6.012472232645459e-19, 5.702306858069399e-19, 5.320668383850599e-19, 4.85127869538762e-19, 4.2733896052701597e-19, 3.5601005678133595e-19, 2.67624380590092e-19, 1.575136698947982e-19, 1.9375923123279e-20, -1.554396522420852e-19, -3.79065378544596e-19, -6.689087446949999e-19, -1.0506737908678858e-18, -1.5635161118215798e-18, -2.26921083203322e-18, -3.2698822923305998e-18, -4.74622397349624e-18, -6.971903666383679e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.0272614017519761 eV

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

Energy: 0.01798927931541257
Energy: 0.018607960941041033
Energy: 0.018419541673464972
Energy: 0.01828784716468911
Energy: 0.7097388787614319
Energy: 0.018420304153951014
Energy: 0.018607960941371796
Energy: 0.1569822541042232
Energy: 0.15675239419767398
Energy: 0.15561130190640854
Energy: 0.15487898162615732
Energy: 0.15650142777309198
Energy: 0.018419541673795732
Energy: 0.15675239419734324
Energy: 0.15602094949290304
Energy: 0.018418339327779032
Energy: 0.154942809335456
Energy: 0.1556419036437437
Energy: 0.01828784716468911
Energy: 0.15561130190670253
Energy: 0.01841833932744827
Energy: 0.018286550973353542
Energy: 0.15522244247232503
Energy: 0.018474866438945463
Energy: 0.7097388787611012
Energy: 0.15487898162615732
Energy: 0.15494280933578677
Energy: 0.15522244247232503
Energy: 0.15471466386754917
Energy: 0.1548786573299029
Energy: 0.018420304154281777
Energy: 0.15650142777309198
Energy: 0.15564190364341288
Energy: 0.018474866438614703
Energy: 0.15487865732957218
Energy: 0.018216416336670267

minimum gb energy = 0.01798927931541257 eV
minimum distance =  2.48666619887617 Angstroms
sigma value = 1


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

Energy: 1.7756326120599881
Energy: 1.1989196494995322
Energy: 1.1855501128035162
Energy: 1.1945656683938988
Energy: 1.1849874812932786
Energy: 1.1854287309983282
Energy: 1.825942127639984
Energy: 1.2152052728363327
Energy: 1.1508631060407868
Energy: 1.1441678000860225
Energy: 1.2137325008365911
Energy: 1.1592113056138031
Energy: 1.8505762948472695
Energy: 1.1499366761438732
Energy: 1.1027293928227644
Energy: 1.1199322959385287
Energy: 1.213469077277108
Energy: 1.1209139502636611
Energy: 1.874406312817051
Energy: 1.1343218017973125
Energy: 1.12000855131365
Energy: 1.1206951095742428
Energy: 1.1516997561768618
Energy: 1.1201791151338236
Energy: 1.7054019107695517
Energy: 1.1805929172247611
Energy: 1.1808926095781642
Energy: 1.185754094968034
Energy: 1.1802634448743676
Energy: 1.161745542667203
Energy: 1.6582044279982675
Energy: 1.1596583169974013
Energy: 1.160124565244992
Energy: 1.162220195513098
Energy: 1.1806058850414787
Energy: 1.162306220529668
Energy: 1.6544327571177393
Energy: 1.1600711379905424
Energy: 1.1616910376765763
Energy: 1.1619083830149335
Energy: 1.1600815105636637
Energy: 1.1630401962798782
Energy: 1.6262495119817617
Energy: 1.1819495742799673
Energy: 1.181099183162568
Energy: 1.1469876823689154
Energy: 1.1792295409142937
Energy: 1.1630566043413844
Energy: 1.3055242021059053
Energy: 1.1631812517136197
Energy: 1.1623792473629837
Energy: 1.1798892848162856
Energy: 1.160651939044856
Energy: 1.160302607665955
Energy: 1.3048576069955287
Energy: 1.1861550431883752
Energy: 1.1851107940661365
Energy: 1.1798084086946086
Energy: 1.1878693011653683
Energy: 1.1842723341482817
Energy: 1.4679429583850012
Energy: 1.1326880289882075
Energy: 1.1331472281057997
Energy: 1.2430895530670532
Energy: 1.1327517167794923
Energy: 1.1023533343796919
Energy: 1.2147502602934726
Energy: 1.1200645290807658
Energy: 1.120752789885816
Energy: 1.214889445921399
Energy: 1.1089332280831803
Energy: 1.1208922736215274
Energy: 1.2131041789811772
Energy: 1.1604426625000863
Energy: 1.1590245639269903
Energy: 1.2132833145726365
Energy: 1.122833521961244
Energy: 1.1421693162149869
Energy: 1.2314859003815615
Energy: 1.1205125209025646
Energy: 1.120014297288913
Energy: 1.1868548780400223
Energy: 1.120552506249608
Energy: 1.1317940571224405
Energy: 1.2294944161445769
Energy: 1.1844753885544144
Energy: 1.1830717173038001
Energy: 1.1914915223262452
Energy: 1.1659776209766457
Energy: 1.172784280189084
Energy: 1.2307051289727922
Energy: 1.1207264198736215
Energy: 1.120449970798026
Energy: 1.1922272200860955
Energy: 1.1204980233056832
Energy: 1.1205686105597588
Energy: 1.4497411706422845
Energy: 1.1603368249743133
Energy: 1.1599542040295878
Energy: 1.1206180095954419
Energy: 1.1605707752904997
Energy: 1.120880968233021
Energy: 1.4512426745905205
Energy: 1.1630060150502437
Energy: 1.1827536786663904
Energy: 1.181905282440985
Energy: 1.159629244890148
Energy: 1.1819313710307373
Energy: 1.4505439959176487
Energy: 1.1826079984002928
Energy: 1.1815675455153882
Energy: 1.181895223303497
Energy: 1.1849647189160677
Energy: 1.182723604534212
Energy: 1.697526439555193
Energy: 1.1832205786547114
Energy: 1.1826596688218882
Energy: 1.184996610951466
Energy: 1.1850369247036352
Energy: 1.1822852122691632
Energy: 1.7653390191413714
Energy: 1.1210905349925673
Energy: 1.1328593192269887
Energy: 1.1329030036674153
Energy: 1.1596344938479477
Energy: 1.1332638670229758
Energy: 1.7627296334777574
Energy: 1.142371221613503
Energy: 1.1210026197730296
Energy: 1.132901184520266
Energy: 1.1941177778599723
Energy: 1.1207320184780896
Energy: 1.826326863786502
Energy: 1.191125334963696
Energy: 1.1619624134055304
Energy: 1.1332220812371567
Energy: 1.1908424509062003
Energy: 1.1828998514250921

minimum gb energy = 1.1023533343796919 eV
minimum distance =  2.28114603077814 Angstroms
sigma value = 33


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

Energy: 2.013168392364798
Energy: 1.220336166199876
Energy: 1.1987767089270185
Energy: 1.2034704900289557
Energy: 1.196823214672189
Energy: 1.2178180484576642
Energy: 1.317401557178584
Energy: 1.2196902322298815
Energy: 1.1515539104295662
Energy: 1.1775665521246987
Energy: 1.2011861660001197
Energy: 1.1596725047961012
Energy: 1.7061139990196243
Energy: 1.219483339673364
Energy: 1.2096503169448842
Energy: 1.1902306729439054
Energy: 1.2097807540748082
Energy: 1.1770907301805418
Energy: 1.702519371781951
Energy: 1.2764909086404541
Energy: 1.1804990650329823
Energy: 1.1898841715283914
Energy: 1.2848411339025572
Energy: 1.1902587258744344
Energy: 1.2961462591324575
Energy: 1.2960251805738832
Energy: 1.2294970761366721
Energy: 1.2195270716261404
Energy: 1.2294079913267837
Energy: 1.2619171999918282
Energy: 1.7170984060488963
Energy: 1.2441087386050593
Energy: 1.169763245534059
Energy: 1.2473968563013185
Energy: 1.2943249688063245
Energy: 1.244753557895739
Energy: 1.7153162179576116
Energy: 1.2406892142830386
Energy: 1.2529775997653403
Energy: 1.252744377607788
Energy: 1.2420885871272707
Energy: 1.252140145791456
Energy: 1.6042857237824357
Energy: 1.2469571055358677
Energy: 1.249686266427132
Energy: 1.2401661932888708
Energy: 1.2470955595944795
Energy: 1.247599023179834
Energy: 1.365353969924418
Energy: 1.2445978509316151
Energy: 1.2548862526034976
Energy: 1.2880709919147073
Energy: 1.2455974614071796
Energy: 1.2883275172424857
Energy: 1.3651183251625882
Energy: 1.290328627968638
Energy: 1.2941545749644385
Energy: 1.2855034500547673
Energy: 1.2912213241259844
Energy: 1.2929202335572438
Energy: 1.4189017152040595
Energy: 1.083726957172894
Energy: 1.0837095421768663
Energy: 1.3716566562841546
Energy: 1.083937991621718
Energy: 1.0838472331964404
Energy: 1.2738943025835727
Energy: 1.0957551917256714
Energy: 1.220015196692955
Energy: 1.273884869207407
Energy: 1.097703680228505
Energy: 1.224769442260512
Energy: 1.2733076423761143
Energy: 1.2833912727561703
Energy: 1.212453213379405
Energy: 1.2732377994263477
Energy: 1.2554204226962757
Energy: 1.2629366410047056
Energy: 1.4437498487153801
Energy: 1.1898869759778399
Energy: 1.1769981565646341
Energy: 1.3215375823572426
Energy: 1.1903443372352205
Energy: 1.1651120341292562
Energy: 1.3520918543896951
Energy: 1.2925808260470648
Energy: 1.2978697272275181
Energy: 1.2960510838544042
Energy: 1.29272037349832
Energy: 1.300325654919422
Energy: 1.354874283341486
Energy: 1.2408938559685212
Energy: 1.2398731520487638
Energy: 1.2923711979833903
Energy: 1.240857139974357
Energy: 1.2404585913869852
Energy: 1.587966132271118
Energy: 1.246437848141739
Energy: 1.2463436293150265
Energy: 1.2331114219231079
Energy: 1.246127072648222
Energy: 1.2465334803908212
Energy: 1.4402056243291774
Energy: 1.2940778290993789
Energy: 1.294153669647558
Energy: 1.2467096154955768
Energy: 1.2971255770570085
Energy: 1.2467823496264303
Energy: 1.4405166068706503
Energy: 1.2885169754655657
Energy: 1.2704375022769159
Energy: 1.2464072017931331
Energy: 1.288453449259365
Energy: 1.2699579190145915
Energy: 1.669040455118866
Energy: 1.2882250651468392
Energy: 1.2858586938736167
Energy: 1.2966118146086902
Energy: 1.2884518555058724
Energy: 1.2552029994942868
Energy: 1.9005988132842795
Energy: 1.228745249303098
Energy: 1.0833512888397225
Energy: 1.0838107454231516
Energy: 1.227769156744162
Energy: 1.0833822763334604
Energy: 1.902291996654047
Energy: 1.2732591114297926
Energy: 1.2248161325269697
Energy: 1.0833951586450103
Energy: 1.2731897516662336
Energy: 1.1874948958488445
Energy: 1.6654526222834394
Energy: 1.2735035295386832
Energy: 1.2735657568374448
Energy: 1.2371208000768135
Energy: 1.273638845134872
Energy: 1.1859337981699087
Energy: 1.7139544623170468
Energy: 1.395466135511953
Energy: 1.3840350752173807
Energy: 1.1775833922676215
Energy: 1.41503966095213
Energy: 1.1865382881642095
Energy: 1.665775332939461
Energy: 1.272067133421724
Energy: 1.2983428478290728
Energy: 1.2925123180318918
Energy: 1.2982052412447727
Energy: 1.2474555230043494
Energy: 1.7191268417014633
Energy: 1.2905265986358692
Energy: 1.2391905572093147
Energy: 1.2388233686523409
Energy: 1.2907502591508215
Energy: 1.240514881186909
Energy: 1.715077754521748
Energy: 1.2416231841066077
Energy: 1.2414873649986051
Energy: 1.2465319752384827
Energy: 1.2374540401294234
Energy: 1.2415028645217272
Energy: 1.5899650659487838
Energy: 1.2463338327891402
Energy: 1.24790945909942
Energy: 1.2813715240521715
Energy: 1.2462630754800614
Energy: 1.2780032219142592
Energy: 1.3651511203119948
Energy: 1.2467012588729893
Energy: 1.247674430919401
Energy: 1.2886264354383352
Energy: 1.24670293959711
Energy: 1.2568549084884773
Energy: 1.3649485359005566
Energy: 1.294644011791668
Energy: 1.279049824053711
Energy: 1.2873343721469093
Energy: 1.296255205338328
Energy: 1.2859803689364433
Energy: 1.5920136524870023
Energy: 1.0835115019648247
Energy: 1.0832748725329517
Energy: 1.224998246564947
Energy: 1.0836084816931972
Energy: 1.0829730925126904
Energy: 1.2723565068032543
Energy: 1.0835027335002025
Energy: 1.0833392916887365
Energy: 1.2726890751842144
Energy: 1.0840941984025516
Energy: 1.1910336466577953
Energy: 1.2735545154964674
Energy: 1.2879485672633144
Energy: 1.249408592811969
Energy: 1.2739166579415502
Energy: 1.2873792789481513
Energy: 1.2732745109993384
Energy: 1.2729463629281743
Energy: 1.1938304857236048
Energy: 1.1779868314499762
Energy: 1.2733745024532774
Energy: 1.1907199098002101
Energy: 1.1496960740137951
Energy: 1.351333455538532
Energy: 1.2919134546779953
Energy: 1.2607238486494836
Energy: 1.2493953262981585
Energy: 1.2931720566496256
Energy: 1.2993824201054214
Energy: 1.3512230081869174
Energy: 1.229298448674628
Energy: 1.2350576085294644
Energy: 1.292518546662741
Energy: 1.2324758049317759
Energy: 1.2397131188759414
Energy: 1.351019414255897
Energy: 1.2474903355551896
Energy: 1.1579139400916383
Energy: 1.154401154262432
Energy: 1.15835584819698
Energy: 1.247470141792568
Energy: 1.4401381522312713
Energy: 1.2927125329947389
Energy: 1.2041475926967329
Energy: 1.2461399971970888
Energy: 1.2983064817952559
Energy: 1.2719515556179637
Energy: 1.4402045120092162
Energy: 1.2394416008816045
Energy: 1.2075913809736787
Energy: 1.2469387014608093
Energy: 1.2209860539184434
Energy: 1.2474094785374292
Energy: 1.2925389259118798
Energy: 1.2360340927591738
Energy: 1.2194094749755602
Energy: 1.1760199824269955
Energy: 1.2035068603478802
Energy: 1.219191644915829
Energy: 1.9024216750535488
Energy: 1.171950457317275
Energy: 1.08282680014229
Energy: 1.0839041469226034
Energy: 1.152593031539938
Energy: 1.1319051564352343

minimum gb energy = 1.08282680014229 eV
minimum distance =  2.27289131407875 Angstroms
sigma value = 51


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

Energy: 1.8344708310028772
Energy: 1.3333736717050417
Energy: 1.3338378860894855
Energy: 1.2220430062526915
Energy: 1.3345489266672281
Energy: 1.2032200136517806
Energy: 1.510394963314374
Energy: 1.2377684110197422
Energy: 1.2375930146129803
Energy: 1.117626244626684
Energy: 1.2378515529351661
Energy: 1.1939735318328468
Energy: 1.6729959803840904
Energy: 1.2380258012063352
Energy: 1.2375951118874395
Energy: 1.1728829734065163
Energy: 1.2380927660349008
Energy: 1.1510223350684843
Energy: 1.669250906484657
Energy: 1.1502237859236246
Energy: 1.1590881921135872
Energy: 1.1702049155923249
Energy: 1.1995408654832156
Energy: 1.1568516826185156
Energy: 1.3246703463695957
Energy: 1.2312401602219016
Energy: 1.2309017486708367
Energy: 1.234115382230522
Energy: 1.2331835162181854
Energy: 1.229222242974003
Energy: 1.417100939464411
Energy: 1.2355715267327756
Energy: 1.206869204438802
Energy: 1.2340791737229049
Energy: 1.2341568452652045
Energy: 1.2019655060574836
Energy: 1.4168273103871794
Energy: 1.2381406026737083
Energy: 1.2297106296432867
Energy: 1.2342656296967782
Energy: 1.2077753736827266
Energy: 1.2330992705594845
Energy: 1.436226355984007
Energy: 1.149197601176811
Energy: 1.1271426528003676
Energy: 1.1973148216047131
Energy: 1.1497049809184885
Energy: 1.1271473561695713
Energy: 1.2379704282649184
Energy: 1.1277656371431517
Energy: 1.1282614166605816
Energy: 1.2381157373780871
Energy: 1.150044460561349
Energy: 1.1746367069498571
Energy: 1.2380094542735733
Energy: 1.1823804009039707
Energy: 1.2678661516167717
Energy: 1.2380571633318915
Energy: 1.183110661620273
Energy: 1.2375872041327702
Energy: 1.2384524993245214
Energy: 1.1688252546069935
Energy: 1.1589362848520386
Energy: 1.23847441140069
Energy: 1.197541676203512
Energy: 1.148027162446322
Energy: 1.2670407515077584
Energy: 1.2326308585844816
Energy: 1.2675376653478905
Energy: 1.2007254141973571
Energy: 1.1578884382713166
Energy: 1.2318751579599205
Energy: 1.2667864503155497
Energy: 1.1615343281844326
Energy: 1.1625094877574813
Energy: 1.2317428530357266
Energy: 1.161312279939118
Energy: 1.1924725877402376
Energy: 1.267449728134207
Energy: 1.1723426490790563
Energy: 1.1724412684378331
Energy: 1.1886875904419978
Energy: 1.1723782928318351
Energy: 1.1855314461836444
Energy: 1.5093508931590984
Energy: 1.165550964510038
Energy: 1.1659609075525557
Energy: 1.1856323782778515
Energy: 1.1656717699460275
Energy: 1.1714864058120316
Energy: 1.5097420669525705
Energy: 1.232250990306324
Energy: 1.1663180432796498
Energy: 1.1848675896994836
Energy: 1.2324495809640235
Energy: 1.1855074427691108
Energy: 1.7031826622543749
Energy: 1.2325952697992921
Energy: 1.2320040760228284
Energy: 1.1718163316027808
Energy: 1.23258131896131
Energy: 1.2318164952988857
Energy: 1.8251974748233442
Energy: 1.1915649554641041
Energy: 1.1581002172857366
Energy: 1.1487692442104083
Energy: 1.2381576213786138
Energy: 1.1572568350784065

minimum gb energy = 1.117626244626684 eV
minimum distance =  2.29804395613983 Angstroms
sigma value = 19


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

Energy: 1.6560534289471556
Energy: 1.2057790405033293
Energy: 1.1275185410047555
Energy: 1.3355286663071526
Energy: 1.1550794116066183
Energy: 1.1995951710844264
Energy: 1.5737603350176157
Energy: 1.1926685266529566
Energy: 1.1549248721890901
Energy: 1.194983562773165
Energy: 1.193064395439041
Energy: 1.1547187446620415
Energy: 1.7807407223885636
Energy: 1.1921487568897011
Energy: 1.1833531069401824
Energy: 1.2133231783779426
Energy: 1.183115598944657
Energy: 1.192554198164772
Energy: 1.3934814119491896
Energy: 1.2595892307317897
Energy: 1.2682856518613264
Energy: 1.2161089871352533
Energy: 1.268549297200464
Energy: 1.259400224013558
Energy: 1.7992396619335898
Energy: 1.2975504983332136
Energy: 1.2425369906352712
Energy: 1.210178230174493
Energy: 1.2161626325974948
Energy: 1.3028109191468797
Energy: 1.458497752177882
Energy: 1.1687273873697204
Energy: 1.302743712185965
Energy: 1.2897124001852704
Energy: 1.168547961147273
Energy: 1.2866862138921438
Energy: 1.4583097997830763
Energy: 1.2984478221369946
Energy: 1.2832152801152408
Energy: 1.2851611294567555
Energy: 1.2630025986184432
Energy: 1.2832914464042757
Energy: 1.473515291827793
Energy: 1.0741169452766657
Energy: 1.0746498272981122
Energy: 1.3442556063407591
Energy: 1.0742387085603806
Energy: 1.0747684860873652
Energy: 1.2605065456077151
Energy: 1.0731950294976322
Energy: 1.072903686072477
Energy: 1.2606260153421018
Energy: 1.073327249735002
Energy: 1.0817681541893553
Energy: 1.2603436963204222
Energy: 1.2543014836042286
Energy: 1.2610627076596739
Energy: 1.260577984996273
Energy: 1.2322976270250297
Energy: 1.2610074131865117
Energy: 1.2607654063923892
Energy: 1.2172770051300512
Energy: 1.217044500484488
Energy: 1.2608307749588685
Energy: 1.2164911963049172
Energy: 1.2417308656155819
Energy: 1.3724821581603706
Energy: 1.27350177746507
Energy: 1.3036951402147692
Energy: 1.2760968028403454
Energy: 1.308114723138004
Energy: 1.299105328581354
Energy: 1.1684875395707794
Energy: 1.2895925756678657
Energy: 1.2756890848787863
Energy: 1.1712480980644109
Energy: 1.2906029171716058
Energy: 1.293417538242457
Energy: 1.372524109819768
Energy: 1.2863562394764876
Energy: 1.2860721020860815
Energy: 1.2850008409507576
Energy: 1.2866022418771754
Energy: 1.285300529132852
Energy: 1.5576725340844357
Energy: 1.2616233435255026
Energy: 1.2618164580899542
Energy: 1.072926820778506
Energy: 1.261322233198383
Energy: 1.0566964438663116
Energy: 1.5582381876458884
Energy: 1.2636352595181544
Energy: 1.0747692031058902
Energy: 1.073082965117737
Energy: 1.264370328342469
Energy: 1.0751489685329447
Energy: 1.7103311150460914
Energy: 1.2617379941604328
Energy: 1.26167227532946
Energy: 1.2974606516374239
Energy: 1.2619246903526802
Energy: 1.261144428766052
Energy: 1.3907948057183566
Energy: 1.2615552563857777
Energy: 1.2615852749195218
Energy: 1.2158205719042698
Energy: 1.2615824902960353
Energy: 1.2617625315811662
Energy: 1.3906738212505088
Energy: 1.2757513716292905
Energy: 1.2577232896456105
Energy: 1.2161068661042793
Energy: 1.2756213507558332
Energy: 1.2574973380396193
Energy: 1.457222245092601
Energy: 1.1686728679379583
Energy: 1.3023367965598849
Energy: 1.3086688421510186
Energy: 1.1685441990737855
Energy: 1.3215103852091712
Energy: 1.4569630914062754
Energy: 1.2652636644736328
Energy: 1.2882752791185452
Energy: 1.2912243112917559
Energy: 1.293904127143079
Energy: 1.2895485919152656
Energy: 1.4588862508761193
Energy: 1.2996239740571132
Energy: 1.298902253362078
Energy: 1.2855214417751042
Energy: 1.23172923985346
Energy: 1.2842620959478979
Energy: 1.2807975199851234
Energy: 1.074915108845849
Energy: 1.076024969902506
Energy: 1.248738532084013
Energy: 1.07405806226739
Energy: 1.0714282332626404
Energy: 1.2601309023221552
Energy: 1.2533267713691634
Energy: 1.2613303473804545
Energy: 1.2607755254389088
Energy: 1.0741250718708097
Energy: 1.2603956473597429
Energy: 1.2602984595934568
Energy: 1.2419173421668492
Energy: 1.261043140185515
Energy: 1.2608397812671122
Energy: 1.2310759287260813
Energy: 1.260879506847102
Energy: 1.433813289195013
Energy: 1.2158650120137138
Energy: 1.2161301608643365
Energy: 1.1545646965631633
Energy: 1.2160716517051124
Energy: 1.2576873276906815
Energy: 1.4431851238498445
Energy: 1.2907415236979711
Energy: 1.2107092740061909
Energy: 1.195934112181578
Energy: 1.296822358051576
Energy: 1.304663012030567
Energy: 1.167992318086296
Energy: 1.2420808317790322
Energy: 1.1961814849170163
Energy: 1.1685439317354158
Energy: 1.1969009075516672
Energy: 1.2404285503886407
Energy: 1.4440054386092869
Energy: 1.2267026124483391
Energy: 1.1962887051225075
Energy: 1.1692009792697664
Energy: 1.1881748646956218
Energy: 1.2241656854283622
Energy: 1.6604314434458487
Energy: 1.1873131684459575
Energy: 1.0632573172065183
Energy: 1.0733052771052147
Energy: 1.154667543553753
Energy: 1.128085562740531

minimum gb energy = 1.0566964438663116 eV
minimum distance =  2.28973446586332 Angstroms
sigma value = 27


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

Energy: 1.3337637351486233
Energy: 1.3439687288252955
Energy: 1.344496011418604
Energy: 1.1851720055298895
Energy: 1.1973542471553729
Energy: 1.3418795285860652
Energy: 1.0665683725337656
Energy: 1.1416279457309184
Energy: 1.1419344504529523
Energy: 1.061169108035737
Energy: 1.1416591829738798
Energy: 1.0937843412365382
Energy: 1.2028045905025688
Energy: 1.1422103085315594
Energy: 1.1425441976253266
Energy: 1.0581462853864008
Energy: 1.143172335087316
Energy: 1.0930950003170665
Energy: 1.0665066489586188
Energy: 1.1430304901407384
Energy: 1.0863815996542916
Energy: 1.0588319102397554
Energy: 1.142471268800127
Energy: 1.0564323740802286
Energy: 1.3353793292806977
Energy: 0.9927966045160919
Energy: 1.0556782345997695
Energy: 1.1430547125957917
Energy: 0.9923244042041983
Energy: 1.0560732325427928
Energy: 1.1415084784018237
Energy: 0.9933709980601471
Energy: 0.9938498514089974
Energy: 1.1416939891244822
Energy: 0.9930423193350109
Energy: 0.9938387463507591
Energy: 1.1432020664292701
Energy: 1.0564761829307225
Energy: 1.0944173561819512
Energy: 1.1432827966535408
Energy: 1.0570166139382882
Energy: 1.141877388653249
Energy: 1.1421675999427878
Energy: 1.0517817799990858
Energy: 1.0518306741746535
Energy: 1.1421831064136059
Energy: 1.0522193194977465
Energy: 1.0527646547088128
Energy: 1.2030508050996715
Energy: 1.051671455108383
Energy: 1.093209849660023
Energy: 1.1419220494779758
Energy: 1.052907405857601
Energy: 1.0930980606262584
Energy: 1.0668826695007236
Energy: 1.0846523857948989
Energy: 1.0829248004997216
Energy: 1.0847076115270542
Energy: 1.0851847751621342
Energy: 1.0834373255990972
Energy: 1.2026537482035176
Energy: 1.085942380165887
Energy: 1.0882927702004273
Energy: 1.08487530594005
Energy: 1.1358091445888006
Energy: 1.086144284078559
Energy: 1.0665683724971757
Energy: 1.094390632710233
Energy: 1.0930830265353888
Energy: 1.060506564564149
Energy: 1.0856493516352577
Energy: 1.0937137880674037

minimum gb energy = 0.9923244042041983 eV
minimum distance =  2.32011328581417 Angstroms
sigma value = 9


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

Energy: 2.1072935325330295
Energy: 1.1878737795768959
Energy: 1.246932991114491
Energy: 1.1426509416249075
Energy: 1.186138089871949
Energy: 1.2446915194367083
Energy: 1.417678663282082
Energy: 0.9895832493518595
Energy: 0.9876627163013871
Energy: 0.9800966455340947
Energy: 0.9901865560338148
Energy: 0.9792748821119868
Energy: 1.0279061310657023
Energy: 0.9907434113445888
Energy: 0.9898472558846296
Energy: 1.0016569279191707
Energy: 0.9913326023510954
Energy: 0.9932485902277125
Energy: 1.0299190012102917
Energy: 0.9662567660164056
Energy: 0.976209616132774
Energy: 0.9849538707853067
Energy: 0.9825582224556256
Energy: 0.9583761604242405
Energy: 1.4286266029069976
Energy: 0.9784888501838162
Energy: 0.9790606855621193
Energy: 1.0175522696780401
Energy: 1.0061946745108559
Energy: 1.0050278646676098
Energy: 1.0173660027325624
Energy: 0.897090007154372
Energy: 0.9790816171646781
Energy: 1.0173368014606747
Energy: 0.8967611125595918
Energy: 0.9831545824179118
Energy: 1.0187945663479916
Energy: 0.9660357923213914
Energy: 0.9658470813562181
Energy: 1.0189604516181674
Energy: 0.965213127294628
Energy: 1.0173768222699429
Energy: 1.0178713664468708
Energy: 0.9533861893045962
Energy: 0.9667217113307905
Energy: 1.017903836408807
Energy: 0.9516634419488278
Energy: 1.0391777855254383
Energy: 1.4514062782686177
Energy: 1.0011689522693648
Energy: 1.0284851621293902
Energy: 1.013684503111257
Energy: 1.013645900387975
Energy: 1.048207046595054
Energy: 0.9517785972210002
Energy: 1.000938603343815
Energy: 0.9989050685952788
Energy: 0.9717417237955414
Energy: 1.012227995160099
Energy: 0.9466765912708679
Energy: 0.9517012631139475
Energy: 1.0179911502728705
Energy: 1.0432423161136575
Energy: 1.0018980436504554
Energy: 1.0178951966062275
Energy: 0.9926804797452132
Energy: 1.4350233450494227
Energy: 1.0180121688330221
Energy: 1.0176954045621327
Energy: 0.9826955621246544
Energy: 1.0180194002927527
Energy: 1.005416265858929
Energy: 1.034399140714603
Energy: 1.041336875907434
Energy: 1.2250535102952125
Energy: 0.9720212625057544
Energy: 1.1482069864642366
Energy: 1.0028397095768062
Energy: 1.4353214863271493
Energy: 1.0174718231157376
Energy: 1.001311153838316
Energy: 0.9827333232542413
Energy: 1.0176691038107253
Energy: 1.0067336355385066
Energy: 0.9891702252523473
Energy: 0.9957089832289784
Energy: 0.9973853131707306
Energy: 0.9888613765580094
Energy: 0.9959633942986622
Energy: 0.9692974031764385
Energy: 0.98981502186638
Energy: 0.9560244079868327
Energy: 0.9744936223886862
Energy: 0.9908658233427501
Energy: 1.0072948760110179
Energy: 1.0078354903578712
Energy: 0.9892050752169502
Energy: 0.9634786987481178
Energy: 0.9641704661639443
Energy: 0.989723339178575
Energy: 0.9806604211638419
Energy: 0.9787109750070161
Energy: 1.185163404770925
Energy: 0.9669497902642195
Energy: 0.9652336446038382
Energy: 0.9893092173928754
Energy: 0.9701751705197372
Energy: 0.9900963742346426
Energy: 1.0290678101929216
Energy: 0.9807654414458878
Energy: 0.9606392548640633
Energy: 0.9893172330600754
Energy: 0.9796131809434561
Energy: 0.9901446005710886
Energy: 1.0293497440519577
Energy: 0.9796850628002456
Energy: 0.9585380141292098
Energy: 0.9781328768658889
Energy: 0.9779700962731052
Energy: 0.9385023110907285
Energy: 1.0283662517394323
Energy: 0.9803325425988398
Energy: 0.9667843328117045
Energy: 0.9765974351421659
Energy: 0.979980135016897
Energy: 0.9370814502512307
Energy: 1.4525570213972177
Energy: 0.9895718140791047
Energy: 1.0194636716411138
Energy: 1.0076934941118525
Energy: 0.989500620919336
Energy: 0.9860485738508691
Energy: 1.4534525713368858
Energy: 0.9896441457146731
Energy: 0.9720963752789706
Energy: 1.0076316458119159
Energy: 0.9902411087815992
Energy: 0.9438440241176391
Energy: 1.0279724372364019
Energy: 0.9905615774363469
Energy: 0.9902958889630127
Energy: 1.0133999280724384
Energy: 0.9913539306708262
Energy: 0.9954388396420979
Energy: 1.3463045133608842
Energy: 0.9654830457576454
Energy: 0.968001905372093
Energy: 0.9567974853161832
Energy: 0.9893241942186631
Energy: 1.019775688501654
Energy: 1.276468132029739
Energy: 0.9831885331051884
Energy: 1.007402957511286
Energy: 1.0196417592079565
Energy: 0.9831370187672721
Energy: 1.0048371945712704
Energy: 1.1759496019055924
Energy: 0.9793601140907868
Energy: 1.0036772980811326
Energy: 1.2075893260809114
Energy: 0.8978143011267344
Energy: 0.9447992353664548
Energy: 1.0178552317890388
Energy: 0.9657099427407231
Energy: 0.9653753406308745
Energy: 1.0182250743416617
Energy: 0.9833744893795179
Energy: 1.0180064588597777
Energy: 1.01832724221612
Energy: 0.965431364158945
Energy: 0.9669257766958504
Energy: 1.0184391681062057
Energy: 1.0077506983315703
Energy: 1.0479153196067068
Energy: 1.2980203460040918
Energy: 0.953346178890209
Energy: 0.9662484357623359
Energy: 1.0015447789320695
Energy: 0.9517443757851298
Energy: 0.985518382379484
Energy: 0.9517142742801468
Energy: 1.0023073557879107
Energy: 1.0389562933794914
Energy: 1.0016645402712638
Energy: 1.0124951376153828
Energy: 0.9881049209137892
Energy: 0.9609812785881823
Energy: 1.017423269218058
Energy: 1.036817478681483
Energy: 0.9703445138596204
Energy: 1.0169648903455335
Energy: 0.9459725676439624
Energy: 1.4365863878502907
Energy: 1.018441335194774
Energy: 1.0176388010148534
Energy: 0.9680607696879676
Energy: 1.0185548135830844
Energy: 0.9669349095973141
Energy: 1.2351877298481027
Energy: 1.0175792139497724
Energy: 1.0189693380003306
Energy: 1.0031365205134823
Energy: 1.0173112764567207
Energy: 0.9647646764501243
Energy: 1.2328230661886805
Energy: 1.0176954176194832
Energy: 1.0010737014283666
Energy: 1.007706750451689
Energy: 1.0178777440802829
Energy: 1.0013489531160749
Energy: 1.0357826637930945
Energy: 0.9901259929969528
Energy: 0.9828555298186007
Energy: 1.0101399302733693
Energy: 0.9940794549618317
Energy: 0.9828263510235486
Energy: 0.9899716825624411
Energy: 0.9824421622305873
Energy: 0.9645889707164476
Energy: 0.9913829929631267
Energy: 1.0020684439123433
Energy: 0.9835154766901343
Energy: 0.9899576146306701
Energy: 0.9780765042307509
Energy: 0.980233212756877
Energy: 0.9897409128008282
Energy: 0.9810468265521772
Energy: 0.9654334597990215
Energy: 0.9888475293884089
Energy: 0.9653665431375867
Energy: 0.9861056161276147
Energy: 0.9887213718609583
Energy: 0.9722856340517525
Energy: 0.9557550906934734
Energy: 1.0275638974284431
Energy: 0.9798776446025858
Energy: 0.981480503295728
Energy: 0.9897145808869746
Energy: 0.978560290538696
Energy: 0.9602384186982375
Energy: 1.0261552009346848
Energy: 0.9565513560084528
Energy: 0.9546718956909652
Energy: 0.9786383655544532
Energy: 0.9809526176792873
Energy: 0.9554190180704076
Energy: 1.0288476963264945
Energy: 0.9804134191542557
Energy: 0.984144971830172
Energy: 1.0006858531795162
Energy: 0.9789245616069451
Energy: 0.9640476913542941
Energy: 1.4530334013155177
Energy: 0.9898478024348195
Energy: 0.9710448375807208
Energy: 1.007551856477164
Energy: 0.9904651805660398
Energy: 0.9443473909894289

minimum gb energy = 0.8967611125595918 eV
minimum distance =  2.31056745292287 Angstroms
sigma value = 57


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

Energy: 0.9856311308272395
Energy: 0.8956520378673948
Energy: 0.4953628087446191
Energy: 0.49602498831065833
Energy: 0.7616446643271376
Energy: 0.9157913083587363
Energy: 0.905097352905473
Energy: 0.7684775685645729
Energy: 0.8090874884665692
Energy: 0.795011905780882
Energy: 0.7684052061530463
Energy: 0.8185420398558526
Energy: 0.9987477858027736
Energy: 1.272632353314707
Energy: 0.7612616869276954
Energy: 0.761871849459566
Energy: 0.7734204254698208
Energy: 1.2902364893951868
Energy: 0.9994016702851233
Energy: 1.0010301811159608
Energy: 1.000605272871149
Energy: 0.9499911100238145
Energy: 1.014981866340823
Energy: 1.007959858560662
Energy: 1.0331513666842163
Energy: 0.6546889691874443
Energy: 0.6267119874730002
Energy: 0.9555067359942455
Energy: 0.6553219604126443
Energy: 0.942066077501061
Energy: 0.9491688172983567
Energy: 0.6560703240251616
Energy: 0.6613369126879841
Energy: 0.9444723793162316
Energy: 0.655240129796591
Energy: 0.6239130703887097
Energy: 0.9497663616123264
Energy: 0.9687567095440728
Energy: 0.7613626335997502
Energy: 0.9510148650933663
Energy: 0.769264995058876
Energy: 0.9991897132324669
Energy: 1.3113551582634053
Energy: 1.2713945750904383
Energy: 1.2856739667321304
Energy: 1.3414281792626386
Energy: 1.2761655185203893
Energy: 1.271574401063354
Energy: 1.0245438357101486
Energy: 0.9965679024497472
Energy: 0.9930878608326006
Energy: 0.9563291623574472
Energy: 0.9554322658565357
Energy: 0.9945703354052937
Energy: 0.8224269508702499
Energy: 0.9586930245646722
Energy: 0.4959725211648271
Energy: 0.4940439390328225
Energy: 0.967538216060382
Energy: 0.7813155207457008
Energy: 0.8225001358788362
Energy: 0.9586332284015389
Energy: 0.9547724284675058
Energy: 0.4943512531322026
Energy: 0.955818227413251
Energy: 0.7523286267044678
Energy: 1.0268754206877821
Energy: 0.9711883644663224
Energy: 0.9679636057755101
Energy: 0.9706033045483
Energy: 0.9561726735880133
Energy: 1.3130837870861578
Energy: 0.9706879634200192
Energy: 1.0081421211102888
Energy: 0.7832399719624302
Energy: 0.8153530070226445
Energy: 1.3746873156844974
Energy: 0.9720299414489635
Energy: 0.9680959697036071
Energy: 1.0072812350626839
Energy: 1.0054315268951384
Energy: 0.9411055504024577
Energy: 0.9490430949584788
Energy: 0.9749833334351908
Energy: 1.1191883065593293
Energy: 0.6577124864699687
Energy: 0.6580645465364592
Energy: 0.954637905004569
Energy: 0.6563269462675552
Energy: 0.6577936199266352
Energy: 1.023891147977937
Energy: 0.7621286045930697
Energy: 0.9733362695612466
Energy: 0.9491046118082959
Energy: 0.6558328478738719
Energy: 0.9439028257440302
Energy: 0.9813810648678377
Energy: 1.0253549867339415
Energy: 0.9857421086755833
Energy: 0.9518523989175006
Energy: 1.0083865888471863
Energy: 1.254404186883743
Energy: 1.3699962046683125
Energy: 0.8026642927127942
Energy: 0.7615928704139798
Energy: 0.7670954612694253
Energy: 0.7632010525892587
Energy: 0.8014869781073519
Energy: 0.9053597686031387
Energy: 0.7684818264851635
Energy: 0.8068947237050755
Energy: 0.4942983911503246
Energy: 0.7681894435263984
Energy: 0.807278952406066

minimum gb energy = 0.4940439390328225 eV
minimum distance =  2.20044934595983 Angstroms
sigma value = 11


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

Energy: 1.5207489256587317
Energy: 0.8539931077724758
Energy: 0.867447392183807
Energy: 1.1281295188953762
Energy: 0.8448100994047495
Energy: 0.8668080594748916
Energy: 0.8678760155070363
Energy: 0.8551073638323905
Energy: 0.8461141421282935
Energy: 0.8426128376190193
Energy: 0.8539006383738622
Energy: 0.8485910914590765
Energy: 0.8373645006281543
Energy: 0.8452446837138096
Energy: 0.8478554927334366
Energy: 0.84054073785707
Energy: 0.844062356602311
Energy: 0.8376088159152613
Energy: 0.838815153927756
Energy: 0.8576494031370606
Energy: 0.8615365119978239
Energy: 0.8413517891875495
Energy: 0.8465994842359706
Energy: 0.8464428666135991
Energy: 0.8382115578097407
Energy: 0.9351532227474284
Energy: 0.8957570091572251
Energy: 0.8542462868806842
Energy: 0.8608624757758276
Energy: 0.8466288961553687
Energy: 1.1256303232872382
Energy: 0.9021048031203607
Energy: 0.8992307429157402
Energy: 0.8414117539456136
Energy: 0.8564129109965855
Energy: 0.884995682242454
Energy: 1.066794089181311
Energy: 0.8418819884804266
Energy: 0.8447870152783297
Energy: 0.8405204461521607
Energy: 0.8403009113674521
Energy: 0.8381406118232461
Energy: 0.8600546059238908
Energy: 0.929407232746039
Energy: 0.9309606416002753
Energy: 0.8741298285928131
Energy: 0.9272857852064379
Energy: 0.928231731005555
Energy: 1.1232173388880697
Energy: 0.8843751929498211
Energy: 0.9005465171991476
Energy: 0.8534468942009056
Energy: 0.8481285181245725
Energy: 0.8989842725691072
Energy: 1.4031868176168028
Energy: 0.881958257720906
Energy: 0.8853295792399526
Energy: 0.9237876945238621
Energy: 0.8804954426128068
Energy: 0.8988103319090096
Energy: 1.4956363374517547
Energy: 0.8801989220472343
Energy: 0.8839624119708467
Energy: 0.9109738696867988
Energy: 0.8808253500106826
Energy: 0.8863155728100119
Energy: 1.2396354032878187
Energy: 0.8230498403233967
Energy: 0.8369260268566467
Energy: 0.9372398099868842
Energy: 0.8158298363021604
Energy: 0.8586111423226735
Energy: 1.051635065665237
Energy: 0.81285236763945
Energy: 0.8124223745311278
Energy: 0.9956592459098326
Energy: 0.8164496694029115
Energy: 0.8611233026954397
Energy: 1.0492023272326634
Energy: 0.936629473387849
Energy: 0.9364506980881094
Energy: 0.8951907204535909
Energy: 0.9394861466887703
Energy: 0.9358053369306472
Energy: 1.103242106697183
Energy: 1.0784162342300134
Energy: 1.0161864203436062
Energy: 1.269505068513914
Energy: 1.0460172955535731
Energy: 0.8993517107318454
Energy: 1.4402664226300008
Energy: 0.9390988411740823
Energy: 0.9367420878586831
Energy: 0.8943729488363604
Energy: 0.9430356789790193
Energy: 0.9373429041540811
Energy: 1.2979153011464382
Energy: 0.8967882180691107
Energy: 0.8557761625024365
Energy: 0.9915870068984068
Energy: 0.9163122087949159
Energy: 0.8626711688076862
Energy: 1.4837761641297957
Energy: 0.8939893273985878
Energy: 0.9405383045762948
Energy: 0.937091031310582
Energy: 0.8937510507892096
Energy: 0.9378005830122522
Energy: 1.401113508712533
Energy: 0.8556274256163168
Energy: 0.9058682491867462
Energy: 0.8828147381020524
Energy: 0.8550509434940489
Energy: 0.9009111576404892
Energy: 1.0922775503694033
Energy: 0.9437623488115923
Energy: 0.9481410445935647
Energy: 0.8439798384186407
Energy: 1.2275316178420648
Energy: 0.8611788505936695
Energy: 1.4374128644043376
Energy: 0.9411955129171359
Energy: 0.8893313261349813
Energy: 0.8952110247881083
Energy: 0.9407524796440748
Energy: 0.8853454979505659
Energy: 0.9945197027050595
Energy: 0.8702122407095083
Energy: 0.8698831181363836
Energy: 1.350734097510503
Energy: 1.097531550902995
Energy: 0.9399144686609144
Energy: 0.9231020504388869
Energy: 0.8822249347157624
Energy: 0.8960238865898761
Energy: 0.8823071117848842
Energy: 0.9005969035698973
Energy: 0.8844773431961415
Energy: 0.9248136530523035
Energy: 0.8456750586176897
Energy: 0.8379063285945222
Energy: 0.9268315545599648
Energy: 0.8408834119018155
Energy: 0.8457060421529835
Energy: 0.9549188958848325
Energy: 0.8424317285481346
Energy: 0.8369474461928942
Energy: 0.9544705068277602
Energy: 0.841142446773212
Energy: 0.8469904685541169
Energy: 1.4974950550619024
Energy: 0.8440044878024178
Energy: 0.8471531975508443
Energy: 0.8463933009054841
Energy: 0.8405370319409258
Energy: 0.8109759120431757

minimum gb energy = 0.8109759120431757 eV
minimum distance =  2.31094664159501 Angstroms
sigma value = 41


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

Energy: 1.6533923362074021
Energy: 0.922302526843643
Energy: 0.9972168291525091
Energy: 1.241400639909262
Energy: 1.166836986732058
Energy: 1.2422583150862705
Energy: 0.9534174640431755
Energy: 0.9186732676779882
Energy: 0.9106754204525933
Energy: 0.9167497772572298
Energy: 0.9113049673897596
Energy: 0.910032843386182
Energy: 0.9152018596404209
Energy: 0.9115830676507184
Energy: 0.910558352550809
Energy: 0.9186261131591589
Energy: 0.9170116755366093
Energy: 0.9100150194308241
Energy: 0.9157981717405785
Energy: 0.9171884804503585
Energy: 0.9099059156424847
Energy: 0.919043688679475
Energy: 0.9105210270156924
Energy: 0.9138967060144625
Energy: 0.9159264433583323
Energy: 0.9103759906370785
Energy: 0.9133524156982697
Energy: 0.943342733310784
Energy: 0.9425002636334375
Energy: 0.9183059916828412
Energy: 1.295209680049078
Energy: 0.922514301310057
Energy: 0.9101499799088929
Energy: 0.9454136622551557
Energy: 0.9192713070114973
Energy: 0.918405204397551
Energy: 1.2837748913801679
Energy: 0.9173094776533794
Energy: 0.9141704809045319
Energy: 0.9449743936309224
Energy: 0.9165783681560215
Energy: 0.912107434725431
Energy: 0.9511396692645984
Energy: 1.059776064631587
Energy: 0.9512645762346322
Energy: 0.8750085745118283
Energy: 1.0590868074417503
Energy: 0.8857775231023045
Energy: 1.2939059591555488
Energy: 0.9145790044513872
Energy: 0.9110448291477176
Energy: 0.9413585062743789
Energy: 0.9188930294016894
Energy: 0.910706376718508
Energy: 1.2832491887562396
Energy: 0.9175247612905317
Energy: 0.9091248431841121
Energy: 0.9202199236768598
Energy: 0.9181510841606528
Energy: 0.9102041731706787
Energy: 1.2862076875244044
Energy: 0.9174246885514141
Energy: 0.9088235316368106
Energy: 0.9205185514749468
Energy: 0.9162265453795229
Energy: 0.9099828588301034
Energy: 1.4836381597963868
Energy: 0.8743450561624749
Energy: 0.8750901801735769
Energy: 0.9419767466277268
Energy: 0.8811957376555647
Energy: 0.924047353684094
Energy: 1.0193363516002716
Energy: 0.8745263631714145
Energy: 0.8749377681638785
Energy: 0.9592376307192737
Energy: 0.8743958905632818
Energy: 0.8763681996176756
Energy: 1.0148238082010357
Energy: 0.9116485833819797
Energy: 0.9110911390018642
Energy: 1.018402634923666
Energy: 0.9410398650756319
Energy: 0.9110515028151059
Energy: 1.0598609929508576
Energy: 1.0374719445395644
Energy: 1.0613037157342053
Energy: 1.060837181224467
Energy: 1.0951466809263026
Energy: 1.0613906587418105
Energy: 0.9143059852747351
Energy: 0.9164999760809014
Energy: 0.9111965984383502
Energy: 0.9170066043632321
Energy: 0.9414959238398823
Energy: 0.9110995025799283
Energy: 1.6121666287062677
Energy: 0.919216345787944
Energy: 0.8738523888477636
Energy: 0.9755997607907977
Energy: 0.9183674385832885
Energy: 1.064387066559295
Energy: 0.9530815058641873
Energy: 0.9187036874616531
Energy: 0.9198248716740944
Energy: 0.8741324171468225
Energy: 0.9184395750452216
Energy: 0.8755941070429684
Energy: 0.9151098038675286
Energy: 0.9167072853617216
Energy: 0.9161228401453699
Energy: 0.9175309632602482
Energy: 0.917926729326892
Energy: 0.9105716568260193
Energy: 0.9150906641007757
Energy: 0.9103638027457344
Energy: 0.9093184858161856
Energy: 0.9175558040508357
Energy: 0.9168504632461026
Energy: 0.9108211184410537
Energy: 0.9147296282745403
Energy: 0.9131281571869146
Energy: 0.9103355769756551
Energy: 0.9427019768891277
Energy: 0.9185126016021944
Energy: 0.9104034755064971
Energy: 1.4455536004927805
Energy: 1.101333329437426
Energy: 1.133674654631543
Energy: 1.1457570313057777
Energy: 1.101026442883457
Energy: 1.1331503400022638
Energy: 1.294189685723492
Energy: 0.9140818455838821
Energy: 0.911685479132186
Energy: 0.942659426069943
Energy: 0.918577489932044
Energy: 0.9104748725693078
Energy: 0.9508791346563117
Energy: 1.0375258842991026
Energy: 0.9308534387539888
Energy: 0.8765371428407109
Energy: 1.0624701802341125
Energy: 0.8798913526820057
Energy: 1.2837934260642676
Energy: 0.9167297101850009
Energy: 0.9217735509829003
Energy: 0.9417466720720973
Energy: 0.9171404233741016
Energy: 0.9136927782303418
Energy: 1.2836471515764252
Energy: 0.9171701988691946
Energy: 0.9091760856161566
Energy: 0.9226817762924446
Energy: 0.9166108271589609
Energy: 0.9090723870847762
Energy: 1.283332292612013
Energy: 0.9173782785086747
Energy: 0.9095456738863448
Energy: 0.9196603512410024
Energy: 0.9324480742252176
Energy: 0.9221675378661369
Energy: 1.2940998236349912
Energy: 0.9375875322536741
Energy: 0.9093856567024134
Energy: 0.9415577697204727
Energy: 0.9087855733974034
Energy: 0.9111869598326582
Energy: 1.0183784535829474
Energy: 0.9773330255255944
Energy: 0.9742819792551659
Energy: 1.0186717111156256
Energy: 0.8763672919747848
Energy: 0.9658924978042396
Energy: 1.0150002752406106
Energy: 0.917948190262246
Energy: 0.9114125552173231
Energy: 1.0181070780712558
Energy: 0.9199436499567702
Energy: 0.9116870006105949
Energy: 1.0186560593273384
Energy: 0.9102414051930026
Energy: 0.9118055338200168
Energy: 1.018704302004465
Energy: 0.9171398229559513
Energy: 0.9170603050449726
Energy: 0.9141420008570743
Energy: 0.913282757628436
Energy: 0.9169149251336505
Energy: 0.9424929192477347
Energy: 0.916957353222643
Energy: 0.9124834437542512
Energy: 1.6150486938307897
Energy: 0.9191051116658626
Energy: 0.8739652513964296
Energy: 0.8807223500949436
Energy: 0.9185266199459915
Energy: 0.9340059681102099

minimum gb energy = 0.8738523888477636 eV
minimum distance =  2.31808564599873 Angstroms
sigma value = 33


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

Energy: 1.3046640952211883
Energy: 1.1230125799207475
Energy: 1.0156901732351493
Energy: 0.9611679527602524
Energy: 1.0278868902030267
Energy: 1.0932752829151708
Energy: 1.417237045338659
Energy: 0.9903352053920316
Energy: 0.9908592466830991
Energy: 0.9691463104985596
Energy: 0.9902020576036439
Energy: 1.0136584901734593
Energy: 1.0778393399224977
Energy: 1.05926665917407
Energy: 0.9903035159476404
Energy: 1.0644562486049989
Energy: 0.9918972042415986
Energy: 1.065269607401384
Energy: 1.0802436766395058
Energy: 0.9893888165731952
Energy: 0.9906068479784536
Energy: 1.0985999016762815
Energy: 0.9895290650265218
Energy: 1.0490341282085736
Energy: 1.0786232606722956
Energy: 1.019375260181402
Energy: 1.0751830109953402
Energy: 1.128567097305564
Energy: 1.0406827996239512
Energy: 0.9649829777096702
Energy: 1.1355417145689242
Energy: 1.00058768848993
Energy: 0.9999225398815333
Energy: 1.1413922903294298
Energy: 1.0238618665199877
Energy: 0.9950113971629413
Energy: 1.4351616653838308
Energy: 1.0924468934165683
Energy: 1.0679312725455765
Energy: 1.1102255369597043
Energy: 1.0834310079702199
Energy: 1.0679722240584875
Energy: 1.1105601989803513
Energy: 1.109696936746708
Energy: 1.0173206928656973
Energy: 0.9897601776761682
Energy: 1.08073776851578
Energy: 1.016579296651268
Energy: 1.1471775601637264
Energy: 1.0689660901566436
Energy: 1.0588193165233568
Energy: 1.0599723707266668
Energy: 1.0462580926791696
Energy: 1.055071631544807
Energy: 1.5618793727798992
Energy: 1.0483893965366302
Energy: 1.046205275026544
Energy: 1.0665378442658313
Energy: 1.048552434390182
Energy: 1.04728043064126
Energy: 1.5613499032385898
Energy: 1.0425505581007575
Energy: 1.060515789810363
Energy: 1.0596215763074426
Energy: 1.0412278436969944
Energy: 1.056571412865441
Energy: 1.1466073316761742
Energy: 0.9415498782910767
Energy: 0.9417249425945833
Energy: 1.0494609628883929
Energy: 0.9492049562761005
Energy: 0.9418956427540092
Energy: 1.0979211716167305
Energy: 0.9419277841398944
Energy: 0.94193115419247
Energy: 1.0575850222766576
Energy: 0.9518520885952115
Energy: 0.942605433939029
Energy: 1.0939864273075366
Energy: 1.0604133709742323
Energy: 1.0590373930970358
Energy: 1.0602162357668337
Energy: 1.060612426174748
Energy: 1.0566084710034795
Energy: 1.0070064192708252
Energy: 1.0686113372935198
Energy: 1.0686292838947051
Energy: 1.0705311517900808
Energy: 1.0684237906167164
Energy: 1.0795253564707685
Energy: 1.0964786815833378
Energy: 1.0704718973556557
Energy: 1.0715561671642737
Energy: 1.0527741391201153
Energy: 1.1008470379962956
Energy: 1.0539168371140564
Energy: 1.5257576774170836
Energy: 1.1021372205316209
Energy: 0.9946388204324672
Energy: 1.0241021715824015
Energy: 1.1071207166721158
Energy: 0.9937962336322412
Energy: 1.5318584387679395
Energy: 1.0564240157100506
Energy: 1.05588220772478
Energy: 1.0528074464571016
Energy: 1.1399701342741
Energy: 1.0556272051641669
Energy: 1.1650688581100968
Energy: 1.0111959354467033
Energy: 0.9890742180469423
Energy: 1.0974768525740048
Energy: 0.9928108550383554
Energy: 1.0694784061807605
Energy: 1.0513223786688801
Energy: 0.9919715555498408
Energy: 0.9889962595238843
Energy: 1.0466040149331926
Energy: 0.9925261616982014
Energy: 1.0791368091184623
Energy: 1.0457981512257732
Energy: 1.0689936598302405
Energy: 1.0495008613632535
Energy: 1.0479501574235037
Energy: 1.0590867423691288
Energy: 1.05002529102483
Energy: 1.0757469076328479
Energy: 1.0510763458346937
Energy: 1.0515876445707517
Energy: 1.075478046901425
Energy: 1.0509840768087473
Energy: 1.0564462555816199
Energy: 1.5186464717723205
Energy: 1.0515004451219454
Energy: 1.0505914513117152
Energy: 1.0378700002403884
Energy: 1.0581835073527748
Energy: 1.0415160883966887
Energy: 1.0519745271143015
Energy: 1.1212344132298375
Energy: 0.9525737093308129
Energy: 0.9426691276207774
Energy: 1.0962922581575136
Energy: 0.9465352733505222
Energy: 1.8785619467434251
Energy: 1.0550644463021726
Energy: 1.0509386630230777
Energy: 0.9472613130128635
Energy: 1.0546868949565364
Energy: 1.0519771935630333
Energy: 1.1036589200092481
Energy: 1.070059855153902
Energy: 1.0593079506463041
Energy: 1.070814169673693
Energy: 1.0754861974318959
Energy: 1.0613830231674195
Energy: 1.099032290654792
Energy: 1.0578019252063706
Energy: 1.0718561813040104
Energy: 1.0704560885381549
Energy: 1.0641791888135295
Energy: 1.0703461517522765
Energy: 1.1014310236003697
Energy: 1.0811803501022956
Energy: 1.085437970925841
Energy: 1.1079882485104855
Energy: 1.0232305668243136
Energy: 1.084863879942562
Energy: 1.3212291287543103
Energy: 0.9996040659681175
Energy: 0.9995445982962298
Energy: 1.1951580464081837
Energy: 1.0384579915294476
Energy: 0.9993640246442692
Energy: 1.2214739768323597
Energy: 1.0778058477894377
Energy: 1.081159345484495
Energy: 1.137655597626561
Energy: 1.0756019339569085
Energy: 1.0879067484204343
Energy: 1.1101669032883317
Energy: 1.1928462635918506
Energy: 1.003222851260613
Energy: 0.9895971702543541
Energy: 1.2865429032827365
Energy: 1.0034814121284539
Energy: 1.2410545820876635
Energy: 1.0508790569921165
Energy: 1.0494714897525586
Energy: 1.0938446023591657
Energy: 1.0506141388993995
Energy: 1.048629117936182
Energy: 1.5620902147994096
Energy: 1.05016835508935
Energy: 1.0461622647208593
Energy: 1.0741772454272762
Energy: 1.0486002658169404
Energy: 1.071997682271669
Energy: 1.5621369289074434
Energy: 1.0434338410242923
Energy: 1.0601831301772218
Energy: 1.0699570808015273
Energy: 1.0559897420927298
Energy: 1.0577324660283856
Energy: 1.1507336758320614
Energy: 0.9418849240843006
Energy: 0.9419366799175903
Energy: 1.0613891671714992
Energy: 0.9483082228388809
Energy: 1.0361887574731847
Energy: 1.0988189636127657
Energy: 0.9418088255941776
Energy: 0.9431600990926263
Energy: 1.0618151342860582
Energy: 0.9429139167543166
Energy: 0.9422628369902873
Energy: 1.0934134828297644
Energy: 1.0507374074706102
Energy: 1.0495250194312657
Energy: 1.077930968242821
Energy: 1.07508624392617
Energy: 1.0484921626834307
Energy: 1.0183667065778834
Energy: 1.0712976919593875
Energy: 1.0705618664144247
Energy: 1.0206463826306784
Energy: 1.0671372534598178
Energy: 1.082774981775452
Energy: 1.094222243250683
Energy: 1.0883814745878395
Energy: 1.0669027207482256
Energy: 1.0585506880052407
Energy: 1.092763690082372
Energy: 1.056217777223558
Energy: 1.5266507190821221
Energy: 1.1145654180740725
Energy: 1.0522760114720848
Energy: 1.0197946062807959
Energy: 1.0988070486709214
Energy: 0.9944497576243888
Energy: 1.526254404641826
Energy: 1.0544373717455366
Energy: 0.9711027284215118
Energy: 1.0214356573345056
Energy: 1.0718441823753404
Energy: 1.0553740152655917
Energy: 1.0817148394207117
Energy: 0.9911298079750657
Energy: 0.9891801985772563
Energy: 1.0825826729377692
Energy: 0.9938551795952458
Energy: 1.0663657648650406
Energy: 1.0280696673847018
Energy: 0.9909611121604488
Energy: 0.9900868340833111
Energy: 1.0056800827538666
Energy: 0.9911115934692024
Energy: 0.9905739496480734
Energy: 1.0242091337380668
Energy: 1.0236373978520343
Energy: 0.9716371274495154
Energy: 1.042222576238801
Energy: 0.9656696889733987
Energy: 0.9703937322123434
Energy: 1.0521530128939607
Energy: 1.0444654630906944
Energy: 1.0699958200657935
Energy: 1.0697086384235661
Energy: 0.9727672617330139
Energy: 1.0864430906820945
Energy: 1.0784261662541221
Energy: 0.9877171038720758
Energy: 0.9891712187026065
Energy: 0.967458634309285
Energy: 0.992940188460884
Energy: 0.9907948680504386
Energy: 1.819372579439427
Energy: 0.9945394146088363
Energy: 0.943779927538986
Energy: 0.9546526022958014
Energy: 0.9928716534624056
Energy: 0.9883121041765548

minimum gb energy = 0.9415498782910767 eV
minimum distance =  2.24831097592975 Angstroms
sigma value = 67


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

Energy: 1.4623057772904409
Energy: 1.0264655252923034
Energy: 1.026228403157754
Energy: 1.0341553572540039
Energy: 1.0843856306268584
Energy: 1.025413213564054
Energy: 1.1491750166876578
Energy: 1.0359626420867558
Energy: 1.0356036328006561
Energy: 1.034938158415089
Energy: 1.0372470455123348
Energy: 1.035071143043532
Energy: 1.082361553914242
Energy: 0.9960306475521697
Energy: 1.0371819656639145
Energy: 1.0367280419225682
Energy: 0.9950730270220649
Energy: 1.037406069250599
Energy: 1.081882613370159
Energy: 1.0337882567018752
Energy: 1.033548502520316
Energy: 1.0355582788228863
Energy: 1.0339231342275976
Energy: 1.0328818444029255
Energy: 1.0733053320065369
Energy: 1.036882279752063
Energy: 1.037190578112502
Energy: 1.0743846777565695
Energy: 1.0369799866734526
Energy: 1.0378646165810383
Energy: 1.0760936281251476
Energy: 1.0392489418847903
Energy: 1.040321574318676
Energy: 1.077170767208099
Energy: 1.038604206032305
Energy: 1.040610718958817
Energy: 1.1489373768734839
Energy: 1.0364512091275968
Energy: 1.0363629618724675
Energy: 0.995267594125008
Energy: 1.0369354399940174
Energy: 1.035507791706042

minimum gb energy = 0.9950730270220649 eV
minimum distance =  2.34845442960492 Angstroms
sigma value = 3


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

Energy: 1.9063092320385346
Energy: 1.3183784482603156
Energy: 1.1953162252022251
Energy: 1.216377896858425
Energy: 1.2925199410076387
Energy: 1.239905773206884
Energy: 1.1904048456770129
Energy: 1.1638497615360897
Energy: 1.1715246757672961
Energy: 1.1683703296212065
Energy: 1.2090439076187118
Energy: 1.1613381213008789
Energy: 1.2187655203993384
Energy: 1.16906344917201
Energy: 1.169358539718616
Energy: 1.1584215086275893
Energy: 1.1669983533428248
Energy: 1.1595221070361101
Energy: 1.2201046882766884
Energy: 1.1546591447772512
Energy: 1.2093040226775738
Energy: 1.2204795686600658
Energy: 1.1658853681935244
Energy: 1.1545921110938764
Energy: 1.2046587532251485
Energy: 1.2091229894448343
Energy: 1.2138267296650342
Energy: 1.2057797885331394
Energy: 1.213752135150182
Energy: 1.2119411716023238
Energy: 1.1957225899897714
Energy: 1.2081074377451864
Energy: 1.2079607090036337
Energy: 1.2146553912026585
Energy: 1.2069900989810511
Energy: 1.2068817723603862
Energy: 1.2203262311398515
Energy: 1.2459968445849896
Energy: 1.236317152980722
Energy: 1.2136150994114392
Energy: 1.2494226914058553
Energy: 1.2296711386822592
Energy: 1.3906399665766858
Energy: 1.2997649644986566
Energy: 1.2300519480250742
Energy: 1.190622370218564
Energy: 1.2382504565887211
Energy: 1.292959347530391
Energy: 1.28063860582994
Energy: 1.2363215825921727
Energy: 1.2354001563448143
Energy: 1.2424081242272824
Energy: 1.2418664054327038
Energy: 1.232398893325055
Energy: 1.3078749920326314
Energy: 1.2124294342789221
Energy: 1.2123479904775747
Energy: 1.4101709271155982
Energy: 1.2130873916594322
Energy: 1.181788335422536
Energy: 1.2845094267396124
Energy: 1.17961252284073
Energy: 1.197784710639314
Energy: 1.2765187261175557
Energy: 1.2089595775903343
Energy: 1.2182452549951284
Energy: 1.2841623781502087
Energy: 1.218758125461713
Energy: 1.2220437998855953
Energy: 1.2168090515785932
Energy: 1.214788108670613
Energy: 1.2154161353429762
Energy: 1.2164032206008062
Energy: 1.219353476087159
Energy: 1.2186868972329787
Energy: 1.179925545854482
Energy: 1.2017718837070546
Energy: 1.2181664967817796
Energy: 1.4232939592434775
Energy: 1.2190427444253515
Energy: 1.2330208812011496
Energy: 1.2246445799192043
Energy: 1.2210003765797512
Energy: 1.2218847852054135
Energy: 1.2687538327754837
Energy: 1.2265412831403035
Energy: 1.286364567960243
Energy: 1.1606405244005336
Energy: 1.200068771270749
Energy: 1.2266629828749307
Energy: 1.3856683862579553
Energy: 1.2295437516478307
Energy: 1.2212632035801443
Energy: 1.2438485461720699
Energy: 1.2278475098444237
Energy: 1.2224779956964162
Energy: 1.382889185470761
Energy: 1.2130416570310414
Energy: 1.2106385708606597
Energy: 1.3837414376094264
Energy: 1.1911426931105797
Energy: 1.1682448154888143
Energy: 1.3848495223865636
Energy: 1.2256987213776926
Energy: 1.249749563042747
Energy: 1.2612641063927448
Energy: 1.2231887759537392
Energy: 1.2635022613143512
Energy: 1.446776891017626
Energy: 1.2246846841428094
Energy: 1.224689119709606
Energy: 1.2085626002691114
Energy: 1.2391651887972503
Energy: 1.2026667306395769
Energy: 1.3110377991415452
Energy: 1.2281822445468875
Energy: 1.2245337454432144
Energy: 1.2080719027370534
Energy: 1.2449585299365074
Energy: 1.2023028503498772
Energy: 1.2269127941628666
Energy: 1.206985407310667
Energy: 1.2149608580615296
Energy: 1.2138435164598667
Energy: 1.2113330346086764
Energy: 1.214295284082155
Energy: 1.2125875750449338
Energy: 1.2147824841243455
Energy: 1.209266417775018
Energy: 1.2127395383243746
Energy: 1.2167649856522826
Energy: 1.2091508736728354
Energy: 1.2136473369812375
Energy: 1.2146346531468053
Energy: 1.2099662347492341
Energy: 1.214909106432456
Energy: 1.2082603243496775
Energy: 1.2097154586645
Energy: 1.2214039818350728
Energy: 1.1899182195035767
Energy: 1.1891346416331634
Energy: 1.2213295019725519
Energy: 1.1902766055849963
Energy: 1.2144141749810233
Energy: 1.2446127998170269
Energy: 1.247543522005103
Energy: 1.221271089698295
Energy: 1.2333418208638858
Energy: 1.2361055019158234
Energy: 1.2220547952308078
Energy: 1.411437705008808
Energy: 1.2806966894161484
Energy: 1.1591818877533597
Energy: 1.1455075680597426
Energy: 1.2813008961611823
Energy: 1.1649707806319503
Energy: 1.5827146166393484
Energy: 1.289913588660621
Energy: 1.1791137114869747
Energy: 1.1454186807300475
Energy: 1.2427905317899577
Energy: 1.1719904219356994
Energy: 1.2452593407957189
Energy: 1.2363768958043557
Energy: 1.2208916119093927
Energy: 1.2394400037587303
Energy: 1.248205607308979
Energy: 1.222206397085896
Energy: 1.1998206589390956
Energy: 1.1695709709440112
Energy: 1.1688692649032584
Energy: 1.2000975587668619
Energy: 1.1698898067573802
Energy: 1.2292200733775307
Energy: 1.1975672310219125
Energy: 1.2065172819563186
Energy: 1.2077240185333118
Energy: 1.198685633635699
Energy: 1.206532716758282
Energy: 1.2080507414633561
Energy: 1.1978242682573657
Energy: 1.2073656949216738
Energy: 1.2060487517196656
Energy: 1.207691557362655
Energy: 1.2383063690462919
Energy: 1.2057547405647588
Energy: 1.203548576268639
Energy: 1.2126086316275062
Energy: 1.2128781588877944
Energy: 1.2125871526343117
Energy: 1.2137403314195314
Energy: 1.21962919034774
Energy: 1.3893392985799529
Energy: 1.2179402528303576
Energy: 1.2446590984544321
Energy: 1.1901004161667323
Energy: 1.2870508784365617
Energy: 1.2129189356333485
Energy: 1.551202575983709
Energy: 1.2394494318542328
Energy: 1.2400538578754927
Energy: 1.1940918502932374
Energy: 1.2663387584943304
Energy: 1.2144403149485998
Energy: 1.268081150594763
Energy: 1.18102385839945
Energy: 1.1801685756093332
Energy: 1.2193660861091093
Energy: 1.2139007062271334
Energy: 1.2351892350214024
Energy: 1.2854845449348822
Energy: 1.21240304076872
Energy: 1.2121662130748163
Energy: 1.2860998058383337
Energy: 1.2132856198450426
Energy: 1.1810985381672827
Energy: 1.2963434676540826
Energy: 1.223943184438336
Energy: 1.22038083757329
Energy: 1.2476669010017527
Energy: 1.223433576999033
Energy: 1.2258036761387157
Energy: 1.2170588631097736
Energy: 1.2159265211576744
Energy: 1.2055393087554502
Energy: 1.1540780047621642
Energy: 1.216686662151804
Energy: 1.1976579750411214
Energy: 1.284536574171704
Energy: 1.1908384148267517
Energy: 1.20844200117308
Energy: 1.211738061488678
Energy: 1.1933547564986564
Energy: 1.212362886299702
Energy: 1.2678369064467618
Energy: 1.2276286083247308
Energy: 1.2275118134988485
Energy: 1.1608592497715504
Energy: 1.2272566240019884
Energy: 1.2321392621587859
Energy: 1.3843399293721341
Energy: 1.230973886003115
Energy: 1.2151742833071244
Energy: 1.234887624368523
Energy: 1.2289818564611243
Energy: 1.2159874468977603
Energy: 1.390660561451259
Energy: 1.1894880854899608
Energy: 1.2119039263522176
Energy: 1.2458835954303036
Energy: 1.1873166491550673
Energy: 1.2714439665473607
Energy: 1.4025711401808159
Energy: 1.2082537775042606
Energy: 1.2091856461290214
Energy: 1.4062257623817978
Energy: 1.1889881286583965
Energy: 1.220882562223098
Energy: 1.4042111978738296
Energy: 1.2207314770806017
Energy: 1.215581392535637
Energy: 1.235043527479751
Energy: 1.2300196874540512
Energy: 1.218094454219579
Energy: 1.669511499659334
Energy: 1.2399762853407914
Energy: 1.2477390242542832
Energy: 1.199852360051668
Energy: 1.2381232694201418
Energy: 1.241185677950934
Energy: 1.2346060682824984
Energy: 1.2127581216663923
Energy: 1.209796998803285
Energy: 1.213915787726948
Energy: 1.2131407191382837
Energy: 1.2133399602338104
Energy: 1.2100029378311894
Energy: 1.2159890210295368
Energy: 1.2137169412734057
Energy: 1.225090190608869
Energy: 1.214970401937253
Energy: 1.2142289512868616
Energy: 1.2215895130145529
Energy: 1.2170331912747172
Energy: 1.2196312672042005
Energy: 1.2183023957918773
Energy: 1.2173279163848383
Energy: 1.215545222386049
Energy: 1.2381398396972203
Energy: 1.1778365791149148
Energy: 1.2105906867927854
Energy: 1.2274154852951331
Energy: 1.1780019578527539
Energy: 1.1711394111731595
Energy: 1.2188759503485807
Energy: 1.1792273496594854
Energy: 1.1884934771069113
Energy: 1.2667532232900465
Energy: 1.1784457916174935
Energy: 1.15470351516802
Energy: 1.3776792320626092
Energy: 1.1623813266954246
Energy: 1.171709990896042
Energy: 1.1770319619308638
Energy: 1.2920863513637353
Energy: 1.1638840963355113

minimum gb energy = 1.1454186807300475 eV
minimum distance =  2.27900093488094 Angstroms
sigma value = 81


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

Energy: 2.331033492957439
Energy: 1.2325759799701843
Energy: 1.2322570833490072
Energy: 1.2332616343457203
Energy: 1.3516383310407654
Energy: 1.232206729962979
Energy: 1.1159490909575085
Energy: 1.1451959945875632
Energy: 1.1398807108644426
Energy: 1.157157704942623
Energy: 1.1584672008498509
Energy: 1.1746401398737267
Energy: 1.223629280002709
Energy: 1.1329717392499175
Energy: 1.1336233493366916
Energy: 1.2308509243497923
Energy: 1.1358370622143343
Energy: 1.1714952029673638
Energy: 1.1665449880140248
Energy: 1.1358331850443577
Energy: 1.1719286601267591
Energy: 1.1666351439123703
Energy: 1.1339015591043233
Energy: 1.1723757434210957
Energy: 1.1781747704048817
Energy: 1.141816251826322
Energy: 1.1865440394743436
Energy: 1.1842358381582851
Energy: 1.1502549918283196
Energy: 1.1825724481203992
Energy: 1.17771347887977
Energy: 1.1496791315415857
Energy: 1.1844632559595991
Energy: 1.1502762676299692
Energy: 1.153376905831665
Energy: 1.1832047751745418
Energy: 1.1268689293933987
Energy: 1.2120692858281057
Energy: 1.140680855071587
Energy: 1.1078085329089717
Energy: 1.210273951123801
Energy: 1.1405704377557642
Energy: 1.390984514349991
Energy: 1.2387414989251517
Energy: 1.2087440705756662
Energy: 1.115559316783488
Energy: 1.2378940852868552
Energy: 1.1869872651843576
Energy: 1.327543844004271
Energy: 1.1915289980411772
Energy: 1.1402914221725413
Energy: 1.155267861293448
Energy: 1.1905466077020612
Energy: 1.1398194959543642
Energy: 1.2836454576429606
Energy: 1.1926828383123764
Energy: 1.1923384382770796
Energy: 1.209721758386065
Energy: 1.1558789813174661
Energy: 1.193759575793755
Energy: 1.2798815879309975
Energy: 1.1988208892100756
Energy: 1.192915369106153
Energy: 1.2117741226105003
Energy: 1.1814810970305818
Energy: 1.1888467064976482
Energy: 1.219131608265614
Energy: 1.138436244873677
Energy: 1.138821692449631
Energy: 1.148660825449556
Energy: 1.1299657894784163
Energy: 1.1352957626824314
Energy: 1.2194731991842382
Energy: 1.168109345764815
Energy: 1.168807450215712
Energy: 1.1355438542377305
Energy: 1.1575283852939444
Energy: 1.1354595904752471
Energy: 1.1483732406459446
Energy: 1.195552989379095
Energy: 1.1938478691247474
Energy: 1.1672464496199118
Energy: 1.194173104810125
Energy: 1.1613996296666695
Energy: 1.306593248069938
Energy: 1.1624492405527214
Energy: 1.1928560593632687
Energy: 1.2060764259398233
Energy: 1.1620486344268914
Energy: 1.1923414276564464
Energy: 1.2983191320963807
Energy: 1.170071674515323
Energy: 1.1699993961802462
Energy: 1.223020144519418
Energy: 1.1579440210373872
Energy: 1.1704761065225755
Energy: 1.307719582360532
Energy: 1.1471183230762323
Energy: 1.1465534541681366
Energy: 1.3079065302181152
Energy: 1.1468620898818915
Energy: 1.1871132467560106
Energy: 1.280144668893658
Energy: 1.148633192786657
Energy: 1.1473572102465792
Energy: 1.207643136986544
Energy: 1.148850740095797
Energy: 1.1959782762938318
Energy: 1.276900520466854
Energy: 1.1769143746822894
Energy: 1.197449902311259
Energy: 1.1336851770507685
Energy: 1.1778135948308275
Energy: 1.1601863610556002
Energy: 1.2768975088625516
Energy: 1.2112203646900706
Energy: 1.199890610196162
Energy: 1.1331371075312742
Energy: 1.21060460412842
Energy: 1.1967454665369037
Energy: 1.1091458743090001
Energy: 1.1490690356701088
Energy: 1.129690940454193
Energy: 1.1136432139448273
Energy: 1.1485494743807492
Energy: 1.1411313115511472
Energy: 1.160234433952345
Energy: 1.1395098018294603
Energy: 1.1380717524525374
Energy: 1.1718764184782564
Energy: 1.1389161491963558
Energy: 1.1367887743805922
Energy: 1.1443449332615279
Energy: 1.1535148957019732
Energy: 1.1689785109926678
Energy: 1.1110917620256864
Energy: 1.1719649187598271
Energy: 1.1596468163007048
Energy: 1.1932335715990654
Energy: 1.161913425955978
Energy: 1.185137353834968
Energy: 1.194190842837195
Energy: 1.1628441493886643
Energy: 1.184796988496633
Energy: 1.1794703614039181
Energy: 1.1654220278689562
Energy: 1.164930287886372
Energy: 1.1567592735044845
Energy: 1.2268438508081183
Energy: 1.1571488086000687
Energy: 1.3904938879271014
Energy: 1.2225879504264958
Energy: 1.2226814987608379
Energy: 1.1450022607631327
Energy: 1.226095589552956
Energy: 1.1949423109286743
Energy: 1.390207709456487
Energy: 1.1917068680615486
Energy: 1.1903242886465135
Energy: 1.1447197445098245
Energy: 1.2242004948510818
Energy: 1.192636041596822
Energy: 1.282808572045102
Energy: 1.1461029693614813
Energy: 1.1613395439422771
Energy: 1.180076562535151
Energy: 1.1400081164700575
Energy: 1.1603542927365695
Energy: 1.2983198886840888
Energy: 1.1936879734458214
Energy: 1.1941848907151424
Energy: 1.2912660595679255
Energy: 1.1564499466233562
Energy: 1.2023765659542018
Energy: 1.2891861314452122
Energy: 1.1338623975338458
Energy: 1.1351271809707455
Energy: 1.1544222652415939
Energy: 1.1305574155557068
Energy: 1.1369994142685342
Energy: 1.219314460998858
Energy: 1.1567040978731944
Energy: 1.1821776443964231
Energy: 1.1341246596291925
Energy: 1.1431397953882558
Energy: 1.1365389061116464
Energy: 1.1313818676836866
Energy: 1.1075205474533847
Energy: 1.1331021010027267
Energy: 1.1432194049058346
Energy: 1.1458426986798895
Energy: 1.1361594833160291
Energy: 1.2899285641938207
Energy: 1.1813183345002864
Energy: 1.1837700577141936
Energy: 1.1476073262256423
Energy: 1.1750353222060603
Energy: 1.1838280254908105
Energy: 1.2890227353240133
Energy: 1.1437409798759406
Energy: 1.1829614357011744
Energy: 1.153620717797301
Energy: 1.1512859056232625
Energy: 1.1441499317168087
Energy: 1.3063322307065643
Energy: 1.187590583737169
Energy: 1.1853415040047082
Energy: 1.2462343570032328
Energy: 1.1440838937723516
Energy: 1.2361637879552025
Energy: 1.2938626736143735
Energy: 1.1460614779652887
Energy: 1.145677791502636
Energy: 1.2942654150693513
Energy: 1.1465574946679757
Energy: 1.2420517407019143
Energy: 1.338775119957629
Energy: 1.1406844814650994
Energy: 1.183237020699224
Energy: 1.2345942852023255
Energy: 1.1913155903246306
Energy: 1.2188709984578665
Energy: 1.2830746189281677
Energy: 1.3552852004713312
Energy: 1.2176413118937883
Energy: 1.1768346784940442
Energy: 1.2636060664021065
Energy: 1.196298642172849

minimum gb energy = 1.1075205474533847 eV
minimum distance =  2.29323182905053 Angstroms
sigma value = 43


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

Energy: 1.9942036313154405
Energy: 1.2991240337416354
Energy: 1.2220757716286423
Energy: 1.169279490070354
Energy: 1.3485474698892834
Energy: 1.1684431921093328
Energy: 1.1382006604505743
Energy: 1.149299173757822
Energy: 1.1375289681195762
Energy: 1.1425861581557304
Energy: 1.1371737522426246
Energy: 1.1532598901450093
Energy: 1.1432389309671909
Energy: 1.1385772948000372
Energy: 1.1382369017119354
Energy: 1.255592704337494
Energy: 1.1385253655522172
Energy: 1.1674502867562024
Energy: 1.1420036843434387
Energy: 1.1378949737738433
Energy: 1.1435393608659348
Energy: 1.1421497317057965
Energy: 1.1382336508960453
Energy: 1.1432930532285046
Energy: 1.1246179636345464
Energy: 1.1400116161367082
Energy: 1.1392654486685991
Energy: 1.1324479398524985
Energy: 1.1401594916266262
Energy: 1.1387649621962026
Energy: 1.1239376157861107
Energy: 1.1399855224959954
Energy: 1.140106710193565
Energy: 1.1399205203080267
Energy: 1.139983767270166
Energy: 1.1402648257168688
Energy: 1.116768127250718
Energy: 1.1244557200723977
Energy: 1.1316667783620147
Energy: 1.1261040363971122
Energy: 1.1254761347556195
Energy: 1.1348372619704539
Energy: 1.163096899908223
Energy: 1.1447821742641304
Energy: 1.1938102193610254
Energy: 1.1211276384142441
Energy: 1.1448535747581638
Energy: 1.1437503812475611
Energy: 1.1170149821101376
Energy: 1.1434875347131004
Energy: 1.142766936115796
Energy: 1.1382034740553886
Energy: 1.142930524840624
Energy: 1.1443091436373383
Energy: 1.346440563141457
Energy: 1.140730666055607
Energy: 1.1919975234133349
Energy: 1.1858155848321095
Energy: 1.140110063956266
Energy: 1.178011310240506
Energy: 1.109441900400893
Energy: 1.1620313230718335
Energy: 1.1612906017880669
Energy: 1.1372866148785992
Energy: 1.1975995436612012
Energy: 1.1516001339680781
Energy: 1.251005612168708
Energy: 1.14329482979468
Energy: 1.1668388273493888
Energy: 1.144572316941509
Energy: 1.1433476762720394
Energy: 1.166862083604152
Energy: 1.3350085315261253
Energy: 1.1419128350128662
Energy: 1.1421296914993153
Energy: 1.1382637852764133
Energy: 1.1880924722932438
Energy: 1.14385613538859
Energy: 1.1095944363698862
Energy: 1.150633521755751
Energy: 1.1505305972345505
Energy: 1.1424563151013167
Energy: 1.125899798344214
Energy: 1.1510168519076496
Energy: 1.1088093443090243
Energy: 1.131111077496848
Energy: 1.1529737450784219
Energy: 1.1532537634892086
Energy: 1.1297741255986278
Energy: 1.1325971901491332
Energy: 1.1047289140023075
Energy: 1.1392901613236848
Energy: 1.1203876196188562
Energy: 1.1043828553337773
Energy: 1.1383609539629322
Energy: 1.1251582458491498
Energy: 1.1273458081395786
Energy: 1.1301203666832902
Energy: 1.129489062870901
Energy: 1.1271857090487079
Energy: 1.12974160358083
Energy: 1.1290933226818753
Energy: 1.1276027241514839
Energy: 1.1263073823441812
Energy: 1.154081214637289
Energy: 1.1428329058176514
Energy: 1.1424811281391969
Energy: 1.153214441828684
Energy: 1.1174479135273427
Energy: 1.1286659200201123
Energy: 1.1275918597265338
Energy: 1.1410461941835213
Energy: 1.199439002645785
Energy: 1.1665511649586486
Energy: 1.39813137862391
Energy: 1.1266730211803808
Energy: 1.1277176776506104
Energy: 1.1406687721020974
Energy: 1.1867005955644192
Energy: 1.1662098529551885
Energy: 1.128035406974631
Energy: 1.1252764771159767
Energy: 1.1268025099269925
Energy: 1.1421321327803933
Energy: 1.1112898758123815
Energy: 1.1268252699937698
Energy: 1.2593851560232316
Energy: 1.1443022575641735
Energy: 1.1450022035992147
Energy: 1.2592343451637231
Energy: 1.1036653218592645
Energy: 1.2263340498073276
Energy: 1.145701690741545
Energy: 1.1280287746832556
Energy: 1.127509706214157
Energy: 1.1085878449687452
Energy: 1.1292128416708216
Energy: 1.1570051527730125
Energy: 1.2225336306439367
Energy: 1.1299291551204729
Energy: 1.1304066190860238
Energy: 1.1162680487365448
Energy: 1.2502060981849477
Energy: 1.1566508260862318
Energy: 1.228251652752455
Energy: 1.1250263128477822
Energy: 1.127968463626624
Energy: 1.1543336256512657
Energy: 1.1244083079901608
Energy: 1.154658808637974
Energy: 1.1907646083938206
Energy: 1.1297802949999414
Energy: 1.1513294927340643
Energy: 1.1494645942198463
Energy: 1.109011316036127
Energy: 1.1524303992561462
Energy: 1.1899746605768626
Energy: 1.1343111805886108
Energy: 1.1500553033635292
Energy: 1.1510364943414217
Energy: 1.1360210008977796
Energy: 1.1508478566647664
Energy: 1.1747195727534328
Energy: 1.1503231905618687
Energy: 1.1506147774038573
Energy: 1.1421799964577273
Energy: 1.1375599682942164
Energy: 1.1342456399782774
Energy: 1.1728556850477498
Energy: 1.142420319391384
Energy: 1.1422804491242047
Energy: 1.1620335968053892
Energy: 1.1049290561432907
Energy: 1.1422323800973997
Energy: 1.1433280180658505
Energy: 1.1353396646462983
Energy: 1.1523831544497
Energy: 1.1674925473281035
Energy: 1.137078020823003
Energy: 1.124151474404458
Energy: 1.1041394407675091
Energy: 1.2141692033721716
Energy: 1.1328305249987833
Energy: 1.1483833939091512
Energy: 1.2165300209663803
Energy: 1.1329716127289287

minimum gb energy = 1.1036653218592645 eV
minimum distance =  2.27051285424592 Angstroms
sigma value = 57


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

Energy: 1.3020813052671099
Energy: 1.1528580893934715
Energy: 1.1538349137988315
Energy: 1.0405063409738073
Energy: 1.3053860278603284
Energy: 1.1541329599126706
Energy: 1.0346230072801261
Energy: 1.1530377042743432
Energy: 1.1158885007593833
Energy: 1.1178994703907121
Energy: 1.1509787502524997
Energy: 1.1227625809505763
Energy: 1.1162555295996939
Energy: 1.0811919586690515
Energy: 1.0827418323985327
Energy: 1.1399103038519727
Energy: 1.0805678633505733
Energy: 1.1147623380100382
Energy: 1.1018875838103557
Energy: 1.1096804004657292
Energy: 1.1123344255832177
Energy: 1.1025036301119548
Energy: 1.1111554112811688
Energy: 1.0932445334714194
Energy: 1.1106225082636154
Energy: 1.1177275107546445
Energy: 1.1177143746137288
Energy: 1.093105847553173
Energy: 1.1171778214736032
Energy: 1.1168437739308719
Energy: 1.035241381458292
Energy: 1.1159971784406912
Energy: 1.1224432282162515
Energy: 1.1212875429469227
Energy: 1.116009414245821
Energy: 1.1165354412089505
Energy: 1.1168194018121982
Energy: 1.1025582312233928
Energy: 1.1019728087421707
Energy: 1.0962600747918043
Energy: 1.1035460662718897
Energy: 1.1159511723397906
Energy: 1.111934639512663
Energy: 1.1389331247704417
Energy: 1.143796729412654
Energy: 1.097610646078607
Energy: 1.1378361990099417
Energy: 1.1437852801752544
Energy: 1.1161779857065401
Energy: 1.1665905637012493
Energy: 1.1595143725921315
Energy: 1.1168827483812567
Energy: 1.1618037027900152
Energy: 1.1382715615970664
Energy: 1.3219065156235283
Energy: 1.135366832431773
Energy: 1.1354361571878309
Energy: 1.2271419591147517
Energy: 1.1355277500074963
Energy: 1.1188419457771182
Energy: 1.1125416637322314
Energy: 1.134931679728212
Energy: 1.1626479521943065
Energy: 1.1631243258218313
Energy: 1.11736223187685
Energy: 1.1583359877894945
Energy: 1.0358856996368526
Energy: 1.158753774558558
Energy: 1.1575199026338714
Energy: 1.079045075267529
Energy: 1.159007047079142
Energy: 1.1897555170024938
Energy: 1.035195481318824
Energy: 1.1544255695329382
Energy: 1.1789430279858464
Energy: 1.1903620563579158
Energy: 1.1593141590343896
Energy: 1.1928067796699555
Energy: 1.205767820912706
Energy: 1.1233664633294145
Energy: 1.1226170362970909
Energy: 1.1518478108989758
Energy: 1.1532474431875324
Energy: 1.1169499630364697
Energy: 1.114058607132966
Energy: 1.0359324028127792
Energy: 1.0370794342474114
Energy: 1.145013552506178
Energy: 1.0357339245079573
Energy: 1.0359323027418519
Energy: 1.1030181815535494
Energy: 1.1152978042334893
Energy: 1.0905612060618801
Energy: 1.1043436452683921
Energy: 1.113368990255892
Energy: 1.0928452386092502
Energy: 1.1175645842733526
Energy: 1.116836166428854
Energy: 1.115900480140273
Energy: 1.0952349120112688
Energy: 1.1165760100014073
Energy: 1.115492254093188
Energy: 1.114777768546124
Energy: 1.117153523820681
Energy: 1.116728421561389
Energy: 1.1182441282951525
Energy: 1.0926754773780623
Energy: 1.1164954979917543
Energy: 1.117159503250437
Energy: 1.1577493976564102
Energy: 1.1584077634497718
Energy: 1.1130374748619207
Energy: 1.1160735369069974
Energy: 1.1578993268220172
Energy: 1.117160569152745
Energy: 1.1602867028584232
Energy: 1.154203849957739
Energy: 1.1382452158891185
Energy: 1.1580560366121315
Energy: 1.1611535600060956
Energy: 1.1170681962447175
Energy: 1.165723603916488
Energy: 1.1353802143360228
Energy: 1.1175167630266347
Energy: 1.1625091362720232
Energy: 1.1226519107046096
Energy: 1.3056631455471295
Energy: 1.0984962088592767
Energy: 1.134534063379529
Energy: 1.2244012951426813
Energy: 1.097647960832444
Energy: 1.09722191206521
Energy: 1.2065765247845814
Energy: 1.164235567997413
Energy: 1.1639272240456555
Energy: 1.117111497568525
Energy: 1.1628797361759913
Energy: 1.1227720097131098
Energy: 1.0351868757151244
Energy: 1.1403973967279084
Energy: 1.1784370886531683
Energy: 1.1945838416839225
Energy: 1.1405967308421145
Energy: 1.1945327680717206

minimum gb energy = 1.0346230072801261 eV
minimum distance =  2.32661439366819 Angstroms
sigma value = 17


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

Energy: 1.2749132310644171
Energy: 1.2475978774509207
Energy: 1.2448274782776692
Energy: 1.0503639023857594
Energy: 1.1339828657232058
Energy: 1.0496378453373076
Energy: 0.998980343283642
Energy: 1.1475721311393363
Energy: 1.0898150807211608
Energy: 1.1476062146169903
Energy: 1.1326070286358672
Energy: 1.089992989506559
Energy: 1.1167638080482407
Energy: 1.0809561902357838
Energy: 1.0829652955091842
Energy: 1.1033310578756665
Energy: 1.0800459559799456
Energy: 1.0272432403106775
Energy: 1.1199077711408096
Energy: 1.0803267624270254
Energy: 1.0449728732900618
Energy: 1.1222577729231262
Energy: 1.0550150035427566
Energy: 1.1200433385923252
Energy: 0.9838808232054093
Energy: 1.0499005195064244
Energy: 1.048585544762295
Energy: 0.9848634658490074
Energy: 1.0422516404260733
Energy: 1.0481149739848123
Energy: 0.9998334035704091
Energy: 1.0496919764305148
Energy: 1.0473130406725029
Energy: 1.0161459409537903
Energy: 0.9710720282985528
Energy: 1.0148935318868775
Energy: 0.9842693787517744
Energy: 0.969964344618859
Energy: 1.0003299598706445
Energy: 1.0174192286382258
Energy: 0.9704850087264648
Energy: 0.997272626138186
Energy: 0.97186993446169
Energy: 1.0220871425615203
Energy: 1.0199238120933716
Energy: 1.0222351537653438
Energy: 1.0210556880245656
Energy: 1.0390255855431074
Energy: 0.9736634790234544
Energy: 1.0205348563906085
Energy: 1.0194733340956783
Energy: 0.9703828024680988
Energy: 1.0197411779740782
Energy: 0.9970051411993871
Energy: 0.9714293659187496
Energy: 1.0482074613677896
Energy: 1.04776047965472
Energy: 0.9706519483836827
Energy: 1.0481162954958267
Energy: 1.0171348421212112
Energy: 0.9709734243792679
Energy: 1.0477247116172281
Energy: 1.0482527659251462
Energy: 1.016204904960728
Energy: 1.0669384535059319
Energy: 1.0495094010965098
Energy: 1.1024001314091667
Energy: 1.1034612153781347
Energy: 1.1033429053630734
Energy: 1.0500331296938874
Energy: 1.1030651438491414
Energy: 1.1033509945531024
Energy: 1.1014940595905451
Energy: 1.1353637849273748
Energy: 1.134959376593407
Energy: 1.016387183305686
Energy: 1.1331694827210497
Energy: 1.1348919577886811
Energy: 1.1193355601340294
Energy: 1.1465576996485216
Energy: 1.1441618198019894
Energy: 1.1063984392903454
Energy: 1.1053764708783524
Energy: 1.0897125088870032
Energy: 1.1989434156735364
Energy: 1.130253374764469
Energy: 1.1295931269312751
Energy: 1.1438006372849294
Energy: 1.1299057510987387
Energy: 1.176694520391588
Energy: 1.191897499218068
Energy: 1.1635548767182904
Energy: 1.0949713628395097
Energy: 1.1052464067357508
Energy: 1.1623137897128948
Energy: 1.146484947918569
Energy: 1.08847701786903
Energy: 1.145573166139535
Energy: 1.205150213050785
Energy: 1.0002272880610026
Energy: 1.132741239772268
Energy: 1.204838337960868

minimum gb energy = 0.969964344618859 eV
minimum distance =  2.29086462409483 Angstroms
sigma value = 17


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

Energy: 0.896962728772394
Energy: 1.2069360488388
Energy: 1.0214424125019457
Energy: 1.0204142612451894
Energy: 1.0915101949752062
Energy: 1.021584152178036
Energy: 0.9824743129392347
Energy: 1.1019417520883632
Energy: 0.9912484854960625
Energy: 1.0785925954891438
Energy: 1.079752889894913
Energy: 1.031112418694217
Energy: 1.299655183277267
Energy: 0.9566593979192818
Energy: 1.006244319931076
Energy: 1.0793523132983782
Energy: 0.95669075313683
Energy: 0.9845751415673297
Energy: 1.0830154944987063
Energy: 1.0055020824323482
Energy: 1.00661697910335
Energy: 1.0825404441113333
Energy: 0.9584489153619925
Energy: 0.9840415030835328
Energy: 0.9518292603390678
Energy: 0.9756035393386504
Energy: 0.9928881384057311
Energy: 0.9527365717560797
Energy: 0.9727915888500037
Energy: 0.9941432263180685
Energy: 0.8647572426536919
Energy: 0.937354844048981
Energy: 0.953463517221171
Energy: 0.9559174115134726
Energy: 0.9386936049533104
Energy: 0.9542804099687232
Energy: 0.8769602878121787
Energy: 0.938311928689535
Energy: 0.9391481749358951
Energy: 0.9124306288397325
Energy: 0.9415024010893712
Energy: 0.9423682999445319
Energy: 0.8765022941957733
Energy: 0.9320812838645602
Energy: 0.9437479431887046
Energy: 0.9571364799815745
Energy: 0.9320018245735185
Energy: 0.944117036483126
Energy: 0.878323616279537
Energy: 0.9423952937895451
Energy: 0.9166404709057321
Energy: 0.8798761334059835
Energy: 0.9124037280974997
Energy: 0.8776758463298013
Energy: 0.8773555691844857
Energy: 0.9364871176895978
Energy: 0.9376135582229226
Energy: 0.8769614692403094
Energy: 0.9352734875278403
Energy: 0.937490873912426
Energy: 0.8910506674707805
Energy: 0.9196132922040717
Energy: 0.9357727364309067
Energy: 0.9354169845956277
Energy: 0.8766946906951256
Energy: 0.9356171260096918
Energy: 0.8797292551793084
Energy: 0.8779078786731264
Energy: 0.8773733910498743
Energy: 0.8807796066401286
Energy: 0.883434181022054
Energy: 0.9185422566383491
Energy: 0.8769363948175471
Energy: 0.9456678616034261
Energy: 0.9442637743039785
Energy: 0.9432194129858058
Energy: 0.9219635270736742
Energy: 0.9428375952556051
Energy: 0.9395316954272649
Energy: 0.9515174334475057
Energy: 0.9500983227980814
Energy: 0.9387619360550767
Energy: 0.9449082558678409
Energy: 0.9374056848157432
Energy: 0.9384595643444993
Energy: 0.9466535510996261
Energy: 0.9454181099214174
Energy: 0.9378872616856602
Energy: 0.9472483425332611
Energy: 1.0015985268949765
Energy: 0.9413484604808916
Energy: 0.9924653073900056
Energy: 0.9908642779236355
Energy: 0.9729191543726234
Energy: 0.98843619683478
Energy: 0.974169548819866
Energy: 0.8785462246335308
Energy: 1.0797987660702817
Energy: 1.079852546419797
Energy: 0.9142188540187665
Energy: 1.0794053974821805
Energy: 0.9372409339233552
Energy: 0.8784101652548741
Energy: 1.0913754550614265
Energy: 1.088999051629887
Energy: 0.9766527694886521
Energy: 1.079881264094922
Energy: 0.9734128354497826
Energy: 1.0960336037186138
Energy: 1.0793986510578706
Energy: 1.0298641585686987
Energy: 1.080123158550591
Energy: 0.9868544293937975
Energy: 1.0380044687039534
Energy: 1.2363867372386466
Energy: 0.9758165369929772
Energy: 0.9777273762807651
Energy: 1.113942354641885
Energy: 0.9754701004106475
Energy: 1.0988585416862866
Energy: 1.2118631338525891
Energy: 1.0578424368173296
Energy: 1.0850070098646887
Energy: 1.0823093755716546
Energy: 1.0792701045924806
Energy: 1.028094991922619
Energy: 0.8910651974615026
Energy: 1.091630639568603
Energy: 1.1723818276357274
Energy: 0.9852015510177066
Energy: 1.1066088696669132
Energy: 0.9853617896371629
Energy: 0.8953287173509357
Energy: 1.1026177264997645
Energy: 1.1035441414760687
Energy: 0.9285881805014203
Energy: 1.1025342577473984
Energy: 1.1528703767165336
Energy: 1.324267869397662
Energy: 1.00804099130164
Energy: 1.1023084842897681
Energy: 1.0809273183856414
Energy: 0.9542095591858768
Energy: 1.0576065355118869
Energy: 1.0799588874239445
Energy: 0.9582429116429111
Energy: 1.0075686712776821
Energy: 1.079676548681543
Energy: 0.9591010953221023
Energy: 0.9872583054533229
Energy: 0.9553130298680886
Energy: 0.9773027285352334
Energy: 0.9911688397155677
Energy: 0.9553600110605188
Energy: 0.9752843598315837
Energy: 0.9947170936670996
Energy: 0.8632402456127624
Energy: 0.982524345807967
Energy: 0.9824124072544741
Energy: 0.9557502808683905
Energy: 0.9950200191204167
Energy: 0.9542624652262958
Energy: 0.8610914224786692
Energy: 0.9385113777602228
Energy: 0.9381205537247364
Energy: 0.8614695624877139
Energy: 0.9404560009508883
Energy: 0.93798304959782
Energy: 0.8767433923710146
Energy: 0.9450119718555434
Energy: 0.9456250430515625
Energy: 0.9537460209894388
Energy: 0.9377718220065026
Energy: 0.9447855391771612
Energy: 0.8781008192088433
Energy: 0.9316013352591247
Energy: 0.9429075298842023
Energy: 0.8777350114229012
Energy: 0.9316766056780313
Energy: 0.942578030725718
Energy: 0.8831627503036308
Energy: 0.9387001383804565
Energy: 0.9377185845513978
Energy: 0.8845802392611569
Energy: 0.9356749416341283
Energy: 0.9147436297385669
Energy: 0.8900557878830839
Energy: 0.9395849651439332
Energy: 0.9391739158250769
Energy: 0.9460979753404821
Energy: 0.9362588639494301
Energy: 0.9396998072236942
Energy: 0.9729021390103785
Energy: 0.8771707896086254
Energy: 0.8776402263578903
Energy: 0.972967967373723
Energy: 0.8787055874879035
Energy: 0.8774171378489232
Energy: 0.9748341801098854
Energy: 0.9422378509687062
Energy: 0.9581138498069127
Energy: 0.9511119883806463
Energy: 0.9191660716672162
Energy: 0.9479931693056713
Energy: 0.9464646903517877
Energy: 0.9471302790908327
Energy: 0.9469786506277021
Energy: 0.9378285077298805
Energy: 0.9487292582000185
Energy: 0.9484392194254667
Energy: 0.9386352259062785
Energy: 0.9446019552339544
Energy: 0.9825857283272041
Energy: 0.9388014769631998
Energy: 0.9446710053302333
Energy: 0.9741013293053552
Energy: 0.9385738926622552
Energy: 0.9898872631202457
Energy: 0.9909246144695529
Energy: 0.9777954672672704
Energy: 0.9777535627569788
Energy: 0.9758688786796433
Energy: 0.8754918666269315
Energy: 1.0792145139117078
Energy: 1.0793151832170735
Energy: 0.9546478025599381
Energy: 1.0821681474468348
Energy: 0.9772758990389907
Energy: 0.8781450332920501
Energy: 1.0920206808734032
Energy: 0.9748492737147226
Energy: 0.9734799200565353
Energy: 1.1080506173082263
Energy: 0.9756856549530216
Energy: 0.9375409078176165
Energy: 1.0706684934793667
Energy: 1.0764899878468006
Energy: 0.9542675870304935
Energy: 1.0838547291505198
Energy: 1.0285050637532676
Energy: 1.1126786399354842
Energy: 0.9792152169734925
Energy: 1.077982888248789
Energy: 1.1064147830676567
Energy: 0.9751195326087767
Energy: 1.0790738244274378
Energy: 1.3159431458069142
Energy: 1.029163256314869
Energy: 1.0910025650443431
Energy: 1.081853223743905
Energy: 0.988347664142541
Energy: 1.0676243186083427
Energy: 0.8973494576093084
Energy: 1.105383494256223
Energy: 1.0900040138981246
Energy: 0.9288883767131433
Energy: 1.110343680845678
Energy: 1.1521242677212615

minimum gb energy = 0.8610914224786692 eV
minimum distance =  2.27460676042077 Angstroms
sigma value = 57


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

Energy: 1.0007829839614808
Energy: 1.1523058790904859
Energy: 0.9924000547244463
Energy: 0.9691113738517009
Energy: 1.3517267166515163
Energy: 1.0339364379349198
Energy: 0.957902928262219
Energy: 0.9503336742073677
Energy: 0.9414200222916832
Energy: 1.04137465597918
Energy: 1.0488512364455553
Energy: 0.9885356681779905
Energy: 1.228708254089895
Energy: 0.9053448014778551
Energy: 0.9103601678359479
Energy: 1.0487624322309632
Energy: 0.9055679924931116
Energy: 0.9617276696243512
Energy: 1.0451846780635121
Energy: 0.9048848077853423
Energy: 0.9863939967991063
Energy: 1.046355666235403
Energy: 0.9029976273599942
Energy: 0.9589188232725125
Energy: 0.8999481268293658
Energy: 0.9347479661737386
Energy: 0.943092411570075
Energy: 0.9008949704616861
Energy: 0.9136869660733342
Energy: 0.9426069340228864
Energy: 0.7999921995146481
Energy: 0.91107632071739
Energy: 0.9039399444289997
Energy: 0.874209306480305
Energy: 0.9115202541744737
Energy: 0.9043571059748905
Energy: 0.8387508993861892
Energy: 0.9124876625241691
Energy: 0.9162624789922522
Energy: 0.9029479349004056
Energy: 0.917193583235124
Energy: 0.899350192562674
Energy: 0.8411027663953141
Energy: 0.8698772729866755
Energy: 0.8699366713307445
Energy: 0.8787721359299238
Energy: 0.8695836355250086
Energy: 0.8870267691720605
Energy: 0.8432120965558492
Energy: 0.8864158177357332
Energy: 0.8396815642740335
Energy: 0.8440453302413201
Energy: 0.8471003440839397
Energy: 0.8394124881700686
Energy: 0.8392106989160649
Energy: 0.8923728864932385
Energy: 0.87466740708427
Energy: 0.8394279899481157
Energy: 0.8902419593804639
Energy: 0.8758542050005793
Energy: 0.8147949936705938
Energy: 0.8069313311851957
Energy: 0.8744969432566331
Energy: 0.8653641684963183
Energy: 0.807700443378463
Energy: 0.8654789575944033
Energy: 0.903093439300155
Energy: 0.8165754809199758
Energy: 0.8072229521226619
Energy: 0.9052245779059058
Energy: 0.8145400649239577
Energy: 0.8458683177255812
Energy: 0.8064313756136962
Energy: 0.9089939060211357
Energy: 0.9055405956782856
Energy: 0.8671991293867736
Energy: 0.9068452427521166
Energy: 0.8868243727998415
Energy: 0.8081851939311244
Energy: 0.8673130272708228
Energy: 0.8063265686013706
Energy: 0.8103200557280809
Energy: 0.8910403658595445
Energy: 0.8071218341712075
Energy: 0.8075460128340157
Energy: 0.8698920040984889
Energy: 0.8682630903110912
Energy: 0.8069795539773577
Energy: 0.8948943936984225
Energy: 0.8660173816417174
Energy: 0.9124516605734574
Energy: 0.8389095005710824
Energy: 0.8735641567080841
Energy: 0.8732645278939016
Energy: 0.8521027437162612
Energy: 0.8716568806174938
Energy: 0.8096624715996715
Energy: 0.8397541704190604
Energy: 0.8394577035360706
Energy: 0.8709823343247566
Energy: 0.8485303550122698
Energy: 0.8955877008818075
Energy: 0.8104368580072467
Energy: 0.8794584084107718
Energy: 0.8960142723333941
Energy: 0.8561302168300085
Energy: 0.876615589541326
Energy: 0.8990538860911662
Energy: 0.9116464173094311
Energy: 0.9012499734664011
Energy: 0.9031064021073162
Energy: 0.9132004897990766
Energy: 0.8885309823141493
Energy: 0.911577635305605
Energy: 0.910195015641669
Energy: 0.8908034390733064
Energy: 0.8908701644325134
Energy: 0.9103403949607736
Energy: 0.8917836612425717
Energy: 0.9437954903089026
Energy: 1.0500954534186757
Energy: 0.939367815027004
Energy: 0.9410903445130029
Energy: 0.9342120788427147
Energy: 0.9373836427836043
Energy: 0.9571970768474766
Energy: 0.8079928064861308
Energy: 1.0414500079992368
Energy: 0.9110083803767729
Energy: 0.8901594687737362
Energy: 1.0414910890777025
Energy: 0.949573248223496
Energy: 0.8450214203642656
Energy: 1.0669132880677363
Energy: 1.0234342235400307
Energy: 0.8454160427377152
Energy: 1.046322426673113
Energy: 1.0079433751594633
Energy: 1.1529163236969946
Energy: 0.9347781004788468
Energy: 1.003307360322125
Energy: 1.0328424189141578
Energy: 0.9488509110410998
Energy: 0.9571924131483371
Energy: 1.2322638723289876
Energy: 0.9335558915052824
Energy: 0.9337661823401252
Energy: 1.0411265447612614
Energy: 0.9335926405089234
Energy: 1.061124915975827
Energy: 1.2441169246138537
Energy: 1.0390127134269624
Energy: 1.0518760446470494
Energy: 1.0476076172352535
Energy: 1.020083845350422
Energy: 1.0006292961634862
Energy: 0.8143959040810552
Energy: 1.0559755903976247
Energy: 0.9601651078168975
Energy: 0.8645558276299057
Energy: 1.0569486149165535
Energy: 0.9603297846640306

minimum gb energy = 0.7999921995146481 eV
minimum distance =  2.27405342343815 Angstroms
sigma value = 43


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

Energy: 0.7093728857786235
Energy: 1.026384507989556
Energy: 0.9263783307508752
Energy: 0.8337534459730642
Energy: 0.9472906053695022
Energy: 0.868189608659833
Energy: 1.0250413107317706
Energy: 0.8301178508929866
Energy: 0.8153908393082896
Energy: 0.8846142596391308
Energy: 0.8252254230353725
Energy: 0.8123431327476109
Energy: 1.0659252630454048
Energy: 0.7677332235449067
Energy: 0.7960149506830436
Energy: 0.9228655175094137
Energy: 0.7673108564701064
Energy: 0.7962144060748785
Energy: 0.9242544305485897
Energy: 0.7965808961225833
Energy: 0.7964169478320514
Energy: 0.8269489994714796
Energy: 0.7854961369989821
Energy: 0.8516976178071445
Energy: 0.7329194096518407
Energy: 0.8122437760674394
Energy: 0.8144942859805319
Energy: 0.7342856926589231
Energy: 0.8244703017677515
Energy: 0.812565598353086
Energy: 0.8510100392495177
Energy: 0.820470799819579
Energy: 0.7892536955980791
Energy: 0.7471807401049398
Energy: 0.8204786545119239
Energy: 0.7632482004226728
Energy: 1.0023889798856662
Energy: 0.8212737402566391
Energy: 0.864597228618628
Energy: 0.7724658999348637
Energy: 0.8212421126429001
Energy: 0.7714298392079302
Energy: 0.9732872000040436
Energy: 0.7442907710814525
Energy: 0.7564822311660658
Energy: 0.7717059174575308
Energy: 0.7418732887084709
Energy: 0.756051475929372
Energy: 0.7607629672648331
Energy: 0.7556150756169075
Energy: 0.7577068278798348
Energy: 0.7630802210127273
Energy: 0.7025883293337467
Energy: 0.7573280694857099
Energy: 0.7914735026444892
Energy: 0.7472628919614631
Energy: 0.7478591941295648
Energy: 0.7577702715690066
Energy: 0.7465418486824767
Energy: 0.747695114958935
Energy: 0.6820306973008206
Energy: 0.7178805483669429
Energy: 0.7467446193360263
Energy: 0.7627066445840819
Energy: 0.7178154839687408
Energy: 0.7399854244235995
Energy: 0.7572916038692258
Energy: 0.7180510467768588
Energy: 0.7191599094013357
Energy: 0.7503654602306873
Energy: 0.7188771658656947
Energy: 0.7517620845074021
Energy: 0.6957492169722338
Energy: 0.7595688576081508
Energy: 0.768570616843757
Energy: 0.7638859134455819
Energy: 0.7588203457543482
Energy: 0.7698271083808987
Energy: 0.6954176653461399
Energy: 0.7352193037739492
Energy: 0.6947513939616428
Energy: 0.6974709866438603
Energy: 0.8160774835149515
Energy: 0.6950322584593246
Energy: 0.6947688869160428
Energy: 0.7309811745157658
Energy: 0.7299889000383323
Energy: 0.6947635080365704
Energy: 0.7311798935871727
Energy: 0.7365481916384977
Energy: 0.6860121307366579
Energy: 0.6842140818670249
Energy: 0.6843518591244004
Energy: 0.731184147345546
Energy: 0.6844410213119629
Energy: 0.7434078792184993
Energy: 0.6988732522831241
Energy: 0.6844171832438855
Energy: 0.6840836351038582
Energy: 0.7396940109484086
Energy: 0.6843644808397766
Energy: 0.7338099821705267
Energy: 0.6834393258089813
Energy: 0.7555373755759519
Energy: 0.7551590035437763
Energy: 0.6842011167209915
Energy: 0.7529625358301396
Energy: 0.743548329706913
Energy: 0.6844292016016426
Energy: 0.7769577215570397
Energy: 0.6842367003251335
Energy: 0.6857649226153709
Energy: 0.8099260606810706
Energy: 0.6844130128950989
Energy: 0.6837055993074467
Energy: 0.7559809176344496
Energy: 0.7600061726278267
Energy: 0.6841897327804526
Energy: 0.7565539766283367
Energy: 0.7577714624742933
Energy: 0.722316670079343
Energy: 0.695168695440788
Energy: 0.6948530684141174
Energy: 0.741267963137524
Energy: 0.6953244191493831
Energy: 0.741845006676164
Energy: 0.685999347523989
Energy: 0.6950238553703477
Energy: 0.6953603953009589
Energy: 0.7338590381568146
Energy: 0.6950323476049233
Energy: 0.7341890360767106
Energy: 0.7179025210527404
Energy: 0.7360592254318221
Energy: 0.7357259032510974
Energy: 0.7191808317371851
Energy: 0.7251576946773441
Energy: 0.7362011703411466
Energy: 0.7186596096891484
Energy: 0.755564702722263
Energy: 0.7178834658765967
Energy: 0.7210441901924218
Energy: 0.7647492223075643
Energy: 0.7180962142880649
Energy: 0.9450179314445162
Energy: 0.7526512749401406
Energy: 0.7677868334769029
Energy: 0.7468579596687631
Energy: 0.7521479873395465
Energy: 0.7682174809744001
Energy: 0.8261630827582308
Energy: 0.757337877112982
Energy: 0.7589579198876218
Energy: 0.7571188481462642
Energy: 0.7576454005523204
Energy: 0.7583628308462965
Energy: 0.6849547484646418
Energy: 0.7572518781034091
Energy: 0.7712013329476527
Energy: 0.7565577159016051
Energy: 0.7571845525788253
Energy: 0.750150404647482
Energy: 0.7580440837160999
Energy: 0.7726250582005685
Energy: 0.7738703093617468
Energy: 0.7832773884730497
Energy: 0.7720886300224997
Energy: 0.7709652298277326
Energy: 0.8238483936473067
Energy: 0.7748930923342632
Energy: 0.8209340669636287
Energy: 0.8258837150140621
Energy: 0.7178693928070118
Energy: 0.8207582779563279
Energy: 1.0086312602161684
Energy: 0.7566951880706865
Energy: 0.7758519967455244
Energy: 0.8212521147436415
Energy: 0.7561628645679102
Energy: 0.775731304081144
Energy: 1.0346622697659729
Energy: 0.825814105031207
Energy: 0.8663789760665339
Energy: 0.8261364571493629
Energy: 0.8256732600427463
Energy: 0.814732626262522
Energy: 0.8613554703104861
Energy: 0.92289338569244
Energy: 0.8145454573782336
Energy: 0.7851598643140862
Energy: 0.9225987917043148
Energy: 0.7948395933172705
Energy: 0.7575467094854388
Energy: 0.8603405097331293
Energy: 0.8638120165637693
Energy: 0.783707766344182
Energy: 0.8822323225690919
Energy: 0.8625387373726492
Energy: 1.0073519804229065
Energy: 0.8277857039419882
Energy: 0.820909439598442
Energy: 0.8270148444451497
Energy: 0.8259585922685566
Energy: 0.8717750542086307
Energy: 1.0656368115425738
Energy: 0.8016279051802204
Energy: 0.8395407056086875
Energy: 0.9228413553266027
Energy: 0.8005028865363535
Energy: 0.8317348389188197
Energy: 1.0250413116395405
Energy: 0.8596235645075984
Energy: 0.8627231032600817
Energy: 0.8841478501295027
Energy: 0.8707429694252043
Energy: 0.8136878318390757

minimum gb energy = 0.6820306973008206 eV
minimum distance =  2.33097769372545 Angstroms
sigma value = 81


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

Energy: 0.08663889944818089
Energy: 0.1369356246638407
Energy: 0.08759785075427537
Energy: 0.0894946118051238
Energy: 0.08904435628437776
Energy: 0.08737583433738125
Energy: 0.1381666591197247
Energy: 0.08816827150341462
Energy: 0.08855642159080597
Energy: 0.13948927531460092
Energy: 0.09092406683201046
Energy: 0.08863333486696462
Energy: 0.13776787304041105
Energy: 0.08728335973623573
Energy: 0.08721094356771046
Energy: 0.13715448537002756
Energy: 0.08712642583384463
Energy: 0.13698680868781127
Energy: 0.09152596362123966
Energy: 0.08727647027702141
Energy: 0.08736234073745193
Energy: 0.09147681288557567
Energy: 0.0871478239301888
Energy: 0.13767047942770794
Energy: 0.13704458723687887
Energy: 0.13765465333065763
Energy: 0.13750551057516444
Energy: 0.13828468264450122
Energy: 0.13724506794418564
Energy: 0.13964099182150577
Energy: 0.08804057147029457
Energy: 0.08877399618616713
Energy: 0.08713843628398374
Energy: 0.09004570058039464
Energy: 0.08846647904042104
Energy: 0.08754829014852136
Energy: 0.13934801516464776
Energy: 0.08833766450584861
Energy: 0.08884972630833969
Energy: 0.13928506242143596
Energy: 0.08816494435630627
Energy: 0.08864123010983199
Energy: 0.13791698815281161
Energy: 0.0874043510780039
Energy: 0.08744049497902374
Energy: 0.1398691333854431
Energy: 0.08719605063190553
Energy: 0.13965361954850894
Energy: 0.08967680977295812
Energy: 0.08742498164076015
Energy: 0.13877044104892208
Energy: 0.09231347375767177
Energy: 0.08734934733336304
Energy: 0.13968749415270915
Energy: 0.0877506062796054
Energy: 0.13734110042848233
Energy: 0.13818548419558802
Energy: 0.08757344110026867
Energy: 0.13705159532308797
Energy: 0.13738393402548177

minimum gb energy = 0.08663889944818089 eV
minimum distance =  2.46345846471246 Angstroms
sigma value = 3


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

Energy: 0.9098260618875598
Energy: 0.9316017712690888
Energy: 0.8833751432551046
Energy: 0.8065805781429796
Energy: 0.8926182046494789
Energy: 0.8095614105352447
Energy: 0.8640463583499927
Energy: 0.9049044755641881
Energy: 0.9070440568651319
Energy: 0.8339805399362723
Energy: 0.9095583817907031
Energy: 0.9059496729025585
Energy: 0.9093788438160105
Energy: 0.8093778360347675
Energy: 0.8091895764716575
Energy: 0.8883295258164569
Energy: 0.8332662678607515
Energy: 0.890575540848454
Energy: 0.8371428991316915
Energy: 0.8339901588110749
Energy: 0.8099774664785756
Energy: 0.8368954798305045
Energy: 0.7503690646081167
Energy: 0.8902740494761999
Energy: 0.7598028176376316
Energy: 0.9244033166861755
Energy: 0.9230070965483279
Energy: 0.759588499640057
Energy: 0.9089491435745991
Energy: 0.9110131344368997
Energy: 0.7921200953298636
Energy: 0.8885396666439497
Energy: 0.8233281103755962
Energy: 0.7083809804846244
Energy: 0.9036669570201084
Energy: 0.7528928329826886
Energy: 0.8352949816930686
Energy: 0.7698628470652911
Energy: 0.7733614865112849
Energy: 0.836827449895309
Energy: 0.7703176329880632
Energy: 0.8384468271645535
Energy: 0.8372663382674873
Energy: 0.7640664597851452
Energy: 0.7632825532930919
Energy: 0.8373569613346048
Energy: 0.6748751435517598
Energy: 0.7623152191392314
Energy: 0.890759482620399
Energy: 0.7986610958693199
Energy: 0.8514918875563161
Energy: 0.857307358233515
Energy: 0.7102275086754547
Energy: 0.8501781057658062
Energy: 0.7166889977880238
Energy: 0.7700492845712066
Energy: 0.769761302313595
Energy: 0.716600307801694
Energy: 0.7754403003664766
Energy: 0.7731600575645458
Energy: 0.8499365752624278
Energy: 0.772433686687348
Energy: 0.7723787448467805
Energy: 0.6820636512526653
Energy: 0.8569158831102196
Energy: 0.7125924608470381
Energy: 0.7164693391565606
Energy: 0.7734517338880481
Energy: 0.7733280717450481
Energy: 0.716453980444523
Energy: 0.772953428572288
Energy: 0.7160421036876212
Energy: 0.7178003850517739
Energy: 0.6794242943972968
Energy: 0.7207329604449347
Energy: 0.717927452916988
Energy: 0.6617822268318746
Energy: 0.7182454474614187
Energy: 0.838906352510816
Energy: 0.6826703721680532
Energy: 0.7198372038857752
Energy: 0.7214967726379243
Energy: 0.6819726058314443
Energy: 0.7200858061838958
Energy: 0.837999874328492
Energy: 0.6817018807964194
Energy: 0.6815485045754635
Energy: 0.837783023696891
Energy: 0.6848946826829102
Energy: 0.6815966887259401
Energy: 0.8361386823789915
Energy: 0.6834566444055241
Energy: 0.7531448941133027
Energy: 0.6645514371597119
Energy: 0.8262652917084863
Energy: 0.7511152458880541
Energy: 0.6643482221184208
Energy: 0.6836998876927751
Energy: 0.7410895780589523
Energy: 0.6641968906240107
Energy: 0.6834868387241276
Energy: 0.6637950603199053
Energy: 0.6646371324311908
Energy: 0.7923943843715164
Energy: 0.8167280167345902
Energy: 0.6646891899543229
Energy: 0.6643934131514179
Energy: 0.6655002766308382
Energy: 0.8238137605229136
Energy: 0.6652976654969758
Energy: 0.804845387398443
Energy: 0.6691965043512054
Energy: 0.6650224299458697
Energy: 0.7921493590880886
Energy: 0.8319575764949847
Energy: 0.6642760869864828
Energy: 0.6641023401634176
Energy: 0.8333718152989663
Energy: 0.6710549099441407
Energy: 0.6643384356235288
Energy: 0.8335762388052691
Energy: 0.8002938034554818
Energy: 0.7994570859232067
Energy: 0.6832473123893277
Energy: 0.8005852104814417
Energy: 0.797698651497769
Energy: 0.6845381804569092
Energy: 0.8008894727180061
Energy: 0.6844463412087756
Energy: 0.6821756635734333
Energy: 0.8000799168485413
Energy: 0.6816514001231414
Energy: 0.6816153916217303
Energy: 0.8295588702729638
Energy: 0.8305007080329782
Energy: 0.6815828815482736
Energy: 0.7194207892864991
Energy: 0.7219660391700928
Energy: 0.8398294312909871
Energy: 0.7179470275845551
Energy: 0.7183840138554771
Energy: 0.6673864990477527
Energy: 0.7181672318869097
Energy: 0.6942265010490168
Energy: 0.7675937189659043
Energy: 0.716574214036251
Energy: 0.7164429379695081
Energy: 0.7698319466649578
Energy: 0.7171753153280876
Energy: 0.7169004892869432
Energy: 0.8606464951468034
Energy: 0.7395346380959913
Energy: 0.7381710272609294
Energy: 0.8572380828474052
Energy: 0.7133213117470154
Energy: 0.7728517214241387
Energy: 0.7744879188558011
Energy: 0.7393493199379209
Energy: 0.7391951692140474
Energy: 0.774331771725884
Energy: 0.8662262056434377
Energy: 0.7716972152645032
Energy: 0.7350286480267126
Energy: 0.8934760400002618
Energy: 0.8876770768170209
Energy: 0.7350786802146508
Energy: 0.8901877765401811
Energy: 0.8541600987556501
Energy: 0.8577420476993552
Energy: 0.8380813447706147
Energy: 0.7967660680359864
Energy: 0.6904896955041672
Energy: 0.8381353532394284
Energy: 0.7312392290819049
Energy: 0.7698617578916375
Energy: 0.8513247930849799
Energy: 0.8531699655289227
Energy: 0.769851039326926
Energy: 0.837847096944736
Energy: 0.8396223250507525
Energy: 0.9039336935348065
Energy: 0.7870363020615075
Energy: 0.7854958407895837
Energy: 0.9046308138396852
Energy: 0.6848157116014805
Energy: 0.7847114707673073
Energy: 0.9109125717974517
Energy: 0.8229301197137896
Energy: 0.8968518716339402
Energy: 0.9060449951656349
Energy: 0.7276167398932372
Energy: 0.9237815820416938
Energy: 0.7831737474867446
Energy: 0.8362883095961425
Energy: 0.8546799144308466
Energy: 0.7831794213085509
Energy: 0.8377577464268987
Energy: 0.8613704680378065

minimum gb energy = 0.6617822268318746 eV
minimum distance =  2.27515477084711 Angstroms
sigma value = 67


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

Energy: 1.1214343518323233
Energy: 1.1025578870469392
Energy: 1.0503574490635874
Energy: 0.8510979887061879
Energy: 1.0616668256972022
Energy: 1.0460011476718571
Energy: 1.0131319104427792
Energy: 1.0632757976362468
Energy: 1.0792270223930418
Energy: 1.05435671305539
Energy: 1.062738146770982
Energy: 1.0672966061618765
Energy: 1.1344214813672437
Energy: 0.959104492238188
Energy: 1.0632905187377324
Energy: 1.0487990597470618
Energy: 0.8814811831480158
Energy: 1.0631466069937032
Energy: 1.0607943894060188
Energy: 1.0759497107877238
Energy: 1.0746665807778772
Energy: 1.0623902363398037
Energy: 0.9790444933569441
Energy: 1.075562279290768
Energy: 0.9668544003615337
Energy: 1.0625275665394092
Energy: 1.0776433886757044
Energy: 0.9671337257076814
Energy: 1.0607301889048424
Energy: 1.0792715158160853
Energy: 0.944534180626035
Energy: 1.0506031941138578
Energy: 0.9638392314827109
Energy: 0.8835029930038201
Energy: 1.068435203834919
Energy: 0.96386674101302
Energy: 0.966396937055724
Energy: 0.9915538599800601
Energy: 0.9848118789844411
Energy: 0.9670561451017371
Energy: 0.9890620206601414
Energy: 0.9852404220552734
Energy: 0.9690775483769009
Energy: 0.841386318953386
Energy: 0.8771712582121518
Energy: 0.9687758530720926
Energy: 0.835463372137997
Energy: 0.9675349703916875
Energy: 1.0341896896433778
Energy: 0.9819334744404118
Energy: 0.9876023337953621
Energy: 0.9864797987319625
Energy: 0.8802706830475451
Energy: 0.9922134387638051
Energy: 0.9414443458187313
Energy: 0.8865087665865088
Energy: 0.8817688115976602
Energy: 0.9380650763794073
Energy: 0.8844462432704844
Energy: 0.8809977286141979
Energy: 0.937738194387079
Energy: 0.8808782367326623
Energy: 0.8802736013467057
Energy: 0.8363681330776912
Energy: 1.020666172595595
Energy: 0.8804560071489208
Energy: 0.8354297490884048
Energy: 0.8801401251124197
Energy: 0.8687991912354494
Energy: 0.835355729289148
Energy: 0.8804438099517713
Energy: 0.8348729772957951
Energy: 0.8357369859150395
Energy: 0.8426990570022472
Energy: 0.9865249121015686
Energy: 0.8354029771339218
Energy: 0.8375185825319206
Energy: 0.8343498321701319
Energy: 1.009648226332628
Energy: 0.8599473063973283
Energy: 0.8721893448642636
Energy: 0.8356082551937122
Energy: 0.8327102606350878
Energy: 0.9852400372178435
Energy: 1.010537705455744
Energy: 0.8399841990205864
Energy: 0.835817524817108
Energy: 1.0124403407505902
Energy: 0.8365713883037657
Energy: 0.8351876679124555
Energy: 1.0128326926393907
Energy: 0.8919799175915498
Energy: 0.9910825024445542
Energy: 0.8826695369695186
Energy: 0.8355706510906524
Energy: 0.884165373493877
Energy: 0.8876850499757593
Energy: 0.8311412229195216
Energy: 0.8461849048081042
Energy: 0.8886386985491584
Energy: 0.8245308283587414
Energy: 0.8807414574181701
Energy: 0.8816311872940631
Energy: 1.0342604076667954
Energy: 1.0365232619226459
Energy: 0.8820926385495981
Energy: 1.0308894088127796
Energy: 0.8804750976914888
Energy: 1.0273378231226025
Energy: 0.9675814238892294
Energy: 0.9134740504499151
Energy: 0.8507519350010389
Energy: 1.0706154687611957
Energy: 0.9142008244560966
Energy: 0.8811573624040707
Energy: 0.9726422589477711
Energy: 0.9964603222991187
Energy: 0.8813039519337741
Energy: 0.9702770150208648
Energy: 0.9891563937742403
Energy: 1.0770227172560813
Energy: 1.0036075546065155
Energy: 1.0583301530626636
Energy: 1.0793141422975499
Energy: 0.9000893708936797
Energy: 1.0498979542864042
Energy: 1.1340225360951948
Energy: 0.9008506408940326
Energy: 1.0471886319621668
Energy: 1.0574875085923847
Energy: 0.8472489882853923
Energy: 1.037312367171529
Energy: 1.0130322502441538
Energy: 0.9732879256735916
Energy: 0.9887982446088621
Energy: 1.0157534770479228
Energy: 0.9721219883251315
Energy: 1.0700408097141423

minimum gb energy = 0.8245308283587414 eV
minimum distance =  2.26295099679201 Angstroms
sigma value = 33


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

Energy: 1.3043419244594825
Energy: 1.2521234691688121
Energy: 1.257748114717939
Energy: 0.984508528502382
Energy: 1.0912779258186525
Energy: 1.1439289006106395
Energy: 1.109675975998994
Energy: 1.1565035706618687
Energy: 1.1764258068899855
Energy: 1.1612436344077115
Energy: 1.1612784976645765
Energy: 1.1756579808397327
Energy: 1.2017619583535062
Energy: 1.0412815126359098
Energy: 1.1169559037416328
Energy: 1.0527933944163563
Energy: 1.041701059145263
Energy: 1.1746242061311833
Energy: 1.17394302072749
Energy: 1.1128074319062324
Energy: 1.1121996218633432
Energy: 1.1727297758578004
Energy: 1.1203950789515598
Energy: 1.1682678152553267
Energy: 1.0483655447977662
Energy: 1.1570518322913013
Energy: 1.1775754068382183
Energy: 1.046984321984945
Energy: 1.16366478104548
Energy: 1.1763996112961324
Energy: 1.0730394444264206
Energy: 1.054097477213397
Energy: 1.1881553095340645
Energy: 0.9503504013984216
Energy: 0.9560001005536198
Energy: 1.0432463615905068
Energy: 1.0476460996916128
Energy: 1.068658643127046
Energy: 1.0660744108176117
Energy: 1.0473863242988348
Energy: 1.0672505569034914
Energy: 1.0650534390354425
Energy: 1.0473438448124845
Energy: 0.9530288638647287
Energy: 0.955077057173941
Energy: 1.0477286925800962
Energy: 0.9587703490381919
Energy: 1.0680453833708
Energy: 1.1369021536304293
Energy: 1.0595300606549136
Energy: 1.0581457045104863
Energy: 1.0667892072329919
Energy: 0.952804866107578
Energy: 1.0697598214424415
Energy: 1.1438476821608299
Energy: 0.9546759618895209
Energy: 0.9540989431225575
Energy: 1.0466526306108797
Energy: 0.9554916801575076
Energy: 0.9540155847147153
Energy: 1.1401750885501367
Energy: 0.9555619030791037
Energy: 0.9544940029705173
Energy: 0.957316051784871
Energy: 0.9528099743579995
Energy: 1.0041233254660609
Energy: 0.9538848810486549
Energy: 0.9563166154692574
Energy: 0.9616931319145194
Energy: 0.9539218852323493
Energy: 0.9748881278232966
Energy: 0.9543718498929997
Energy: 0.9535729305410255
Energy: 1.0674161684004906
Energy: 0.9539142610240529
Energy: 0.9535378479543858
Energy: 1.065665847835953
Energy: 0.9534997873699391
Energy: 0.9323532458192316
Energy: 1.0500228962084897
Energy: 1.0685995850883647
Energy: 0.9323219446748602
Energy: 1.0982755569428917
Energy: 0.9753651153889481
Energy: 0.9275298393369247
Energy: 1.0478246887026843
Energy: 1.070173510261821
Energy: 1.0475632612295136
Energy: 1.0486043399828613
Energy: 1.0662084009478299
Energy: 1.174754625178846
Energy: 1.0773992113910638
Energy: 1.1525568061764586
Energy: 1.1767781047901815
Energy: 0.9746498538952801
Energy: 1.1760292592178787
Energy: 1.2768722196479916
Energy: 0.9752601780259482
Energy: 0.9762098014441428
Energy: 1.0532166610250244
Energy: 0.9809147501611137
Energy: 1.1478673598437332
Energy: 1.2026605749991326
Energy: 1.045413568902688
Energy: 1.0676991442851054
Energy: 1.1636384749393003
Energy: 1.1719358852206754
Energy: 1.1554500936817722
Energy: 1.1974855818114987
Energy: 1.0533072885909642
Energy: 1.2173843041049277
Energy: 0.9730871974954599
Energy: 1.0532297769065746
Energy: 1.1052988024538362
Energy: 1.109780086829869
Energy: 1.1624872364269523
Energy: 1.177155814212908
Energy: 1.1126248988472622
Energy: 1.1635062858476908
Energy: 1.176110407851676
Energy: 1.2030856724139463
Energy: 1.113350334159377
Energy: 1.1156419302033938
Energy: 1.1723964087922283
Energy: 1.0592218927967951
Energy: 1.1670934762345333
Energy: 1.1713553588807366
Energy: 1.068792076742478
Energy: 1.1165003518938252
Energy: 1.1713680979455394
Energy: 1.0460207769933911
Energy: 1.1743336563152025
Energy: 1.0482914442227989
Energy: 1.1552738853624516
Energy: 1.1784179617512995
Energy: 1.0474556945891016
Energy: 1.1604715177686935
Energy: 1.1767774746459991
Energy: 1.0743795331293091
Energy: 0.9555324253835488
Energy: 1.0531070984699615
Energy: 0.9512317850304498
Energy: 0.9558016183028859
Energy: 1.0426586622137146
Energy: 1.0475838593060027
Energy: 1.177346520971631
Energy: 1.0699860701616275
Energy: 1.0471173211693905
Energy: 1.1731881923907654
Energy: 1.0648600467743703
Energy: 1.0551308174898586
Energy: 0.9529639698466034
Energy: 1.0053287517579648
Energy: 1.047551754139216
Energy: 0.9584647210095484
Energy: 1.0688837021084554
Energy: 1.140325824505798
Energy: 0.9544121711030236
Energy: 1.0577956775607023
Energy: 1.068161482037276
Energy: 0.9779163921697472
Energy: 1.0696372277485873
Energy: 1.14162838392753
Energy: 0.9540540012808277
Energy: 0.9541452947981433
Energy: 1.0688336445953346
Energy: 0.9564280110609165
Energy: 0.954028406439724
Energy: 1.1394216064445695
Energy: 0.9556676672967934
Energy: 0.9554026040557901
Energy: 0.9583338099425569
Energy: 0.9540942625857349
Energy: 1.004726567767388
Energy: 0.9535901115595806
Energy: 0.9543116073226712
Energy: 0.955368343170285
Energy: 0.9536025921700704
Energy: 0.9764741011666084
Energy: 0.9539783292865971
Energy: 0.9551412265018129
Energy: 1.069522933911696
Energy: 0.9534874649567534
Energy: 0.9536909955649141
Energy: 1.066276307452824
Energy: 0.9537525551623071
Energy: 0.9324149212738413
Energy: 1.0491310632574387
Energy: 1.069051696758387
Energy: 0.9312434760509702
Energy: 1.0697827980648547
Energy: 0.9757004200288963
Energy: 0.927722296908247
Energy: 1.0487692435089881
Energy: 1.070366749708912
Energy: 0.9553294012323125
Energy: 1.049648470227315
Energy: 1.0051147677712373
Energy: 1.1688914541204805
Energy: 1.0759994693769512
Energy: 1.066784127689385
Energy: 1.1730439271943915
Energy: 0.9748323185094954
Energy: 1.176618249335742
Energy: 1.2357224166813352
Energy: 0.9753370654301343
Energy: 0.9766849492626067
Energy: 1.2358336585533056
Energy: 0.9251076074730782
Energy: 1.1308963064846465
Energy: 1.2028368457110628
Energy: 1.0464899904289675
Energy: 1.1565601341992389
Energy: 1.162085182675954
Energy: 1.0467176342956832
Energy: 1.15598565269923
Energy: 1.2003388648884281
Energy: 1.0539473511101243
Energy: 1.2185685884937247
Energy: 0.9790212932919833
Energy: 1.0533983539409588
Energy: 1.1062802153535771

minimum gb energy = 0.9251076074730782 eV
minimum distance =  2.26513226303251 Angstroms
sigma value = 41


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

Energy: 1.3982450000839441
Energy: 1.109427278519956
Energy: 1.109971612308406
Energy: 1.1135033798774678
Energy: 1.1469690788349036
Energy: 1.1069519284586633
Energy: 1.1973697951040172
Energy: 1.2863202632184292
Energy: 1.2327025125778763
Energy: 1.2638393966585884
Energy: 1.1737778250793416
Energy: 1.2271355906947803
Energy: 1.3676440323252461
Energy: 1.1402258910737502
Energy: 1.1068700584142832
Energy: 1.1465214594783868
Energy: 1.1448749609447992
Energy: 1.1407399549547195
Energy: 1.1682722240649026
Energy: 1.1417820043024443
Energy: 1.1075365344119847
Energy: 1.1482880588921964
Energy: 1.1464501223276518
Energy: 1.1461782544336447
Energy: 1.144679122153912
Energy: 1.1461851446369895
Energy: 1.1105138335979579
Energy: 1.147351175957616
Energy: 1.1705874582809963
Energy: 1.1109619706032616
Energy: 1.2112511809015332
Energy: 1.1496363968893124
Energy: 1.1111987361226867
Energy: 1.1132288103229657
Energy: 1.163153938354118
Energy: 1.1105532867615102
Energy: 1.1448183955317968
Energy: 1.2305298910387257
Energy: 1.1137962397733745
Energy: 1.1451699187835513
Energy: 1.228761997992254
Energy: 1.113830898057584
Energy: 1.1477195764180812
Energy: 1.110927835175563
Energy: 1.1119268788868002
Energy: 1.1491704121799158
Energy: 1.1743443066166348
Energy: 1.1450172108415708
Energy: 1.283763616941905
Energy: 1.1134753937712936
Energy: 1.1097031958572339
Energy: 1.0896670678401073
Energy: 1.1621893475398517
Energy: 1.1090065093495687
Energy: 1.21205842387191
Energy: 1.153395397024114
Energy: 1.116212298754426
Energy: 1.11645813748522
Energy: 1.145989744524842
Energy: 1.1098881734731583
Energy: 1.2996206102130292
Energy: 1.1168876992499368
Energy: 1.1327977439192436
Energy: 1.2304939061391202
Energy: 1.0859197361408268
Energy: 1.2256059353980682
Energy: 1.3581484622414817
Energy: 1.085724874550862
Energy: 1.0856699581719966
Energy: 1.3573755242323529
Energy: 1.0857007457186112
Energy: 1.1648587912680488
Energy: 1.3691978591452614
Energy: 1.1095174449784517
Energy: 1.1329589609034967
Energy: 1.1719881331288347
Energy: 1.2682007939372186
Energy: 1.2291550352103942
Energy: 1.087841701685277
Energy: 1.147569681387199
Energy: 1.0865002108135728
Energy: 1.0916438391990126
Energy: 1.1459081863328766
Energy: 1.0863640877424365

minimum gb energy = 1.0856699581719966 eV
minimum distance =  2.30659075614132 Angstroms
sigma value = 11


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

Energy: 1.929806117642595
Energy: 1.3405091213073277
Energy: 1.3703809711718509
Energy: 1.3601218073508952
Energy: 1.4812781146845397
Energy: 1.360536650326307
Energy: 1.431968384034048
Energy: 1.3108142634036088
Energy: 1.3317564737985357
Energy: 1.3627874308030672
Energy: 1.3099685185825065
Energy: 1.2880903018240235
Energy: 1.490876146823932
Energy: 1.3174334064771211
Energy: 1.3224211834913069
Energy: 1.4252686274062996
Energy: 1.3168928032422587
Energy: 1.3287166772871226
Energy: 1.3960444142566537
Energy: 1.2827300156099966
Energy: 1.2882485165178235
Energy: 1.3437310242608846
Energy: 1.2827430617103537
Energy: 1.2897091893094572
Energy: 1.3608039944099064
Energy: 1.3113868458521696
Energy: 1.305820109469084
Energy: 1.340780617544872
Energy: 1.3095229928812433
Energy: 1.3510436610110264
Energy: 1.4058052061537551
Energy: 1.3181607683368908
Energy: 1.3277424727533764
Energy: 1.3455098863377248
Energy: 1.3068823519298371
Energy: 1.3288693194817376
Energy: 1.313343262474283
Energy: 1.328696369817591
Energy: 1.3293014100442984
Energy: 1.3136746839387607
Energy: 1.3290951259881048
Energy: 1.308118518770823
Energy: 1.3133667443912524
Energy: 1.3504625818912857
Energy: 1.3425141427173912
Energy: 1.3082721892667124
Energy: 1.3642926337531724
Energy: 1.3328946841360085
Energy: 1.2994204079641265
Energy: 1.3420313669826738
Energy: 1.3271466854467684
Energy: 1.2740651255253963
Energy: 1.342479142530066
Energy: 1.2878624311275622
Energy: 1.3245241733586064
Energy: 1.3422534170225409
Energy: 1.3258764585372218
Energy: 1.275154198575458
Energy: 1.3419139699336184
Energy: 1.2884899841321138
Energy: 1.313306736318982
Energy: 1.3202216503054183
Energy: 1.3432833137378266
Energy: 1.3077199902080041
Energy: 1.3321552907908296
Energy: 1.333927856015794
Energy: 1.3047574393913113
Energy: 1.2979885615351068
Energy: 1.337593009278831
Energy: 1.3065833228655743
Energy: 1.3379272659533437
Energy: 1.3456367307375359
Energy: 1.3015389446265841
Energy: 1.3372692315516816
Energy: 1.3365562917103904
Energy: 1.3021539245061224
Energy: 1.3525816569079274
Energy: 1.3304423882194527
Energy: 1.3546765370064888
Energy: 1.3396169191720624
Energy: 1.3412441883761248
Energy: 1.3237846569051404
Energy: 1.3713953650243191
Energy: 1.340573949845167
Energy: 1.2874854517720524
Energy: 1.336690610326404
Energy: 1.33484698439466
Energy: 1.305138559921673
Energy: 1.3361007059956662
Energy: 1.2882915769748013
Energy: 1.2890944059997287
Energy: 1.3368587301786727
Energy: 1.3339235476881848
Energy: 1.290481661436766
Energy: 1.3381783046820486
Energy: 1.289244335309731
Energy: 1.2861306477435317
Energy: 1.335220217579634
Energy: 1.3320325828732476
Energy: 1.3072173654735038
Energy: 1.327540902611316
Energy: 1.3076781932589692
Energy: 1.4564207617263576
Energy: 1.351141808266388
Energy: 1.354071737920919
Energy: 1.3212761657129886
Energy: 1.3562341750957763
Energy: 1.3205393790748794
Energy: 1.3324626369019936
Energy: 1.340760125070657
Energy: 1.3373846019383822
Energy: 1.3358706347632332
Energy: 1.3388602253554363
Energy: 1.3353261125612574
Energy: 1.362158484344891
Energy: 1.2836622325426796
Energy: 1.2860562706595366
Energy: 1.3248931220198792
Energy: 1.283257241778214
Energy: 1.3360938567792566
Energy: 1.3863765072599654
Energy: 1.2833542246682892
Energy: 1.3173422308933707
Energy: 1.326875009750771
Energy: 1.2843638368759926
Energy: 1.3371258961620345
Energy: 1.3094478201498074
Energy: 1.341386252146096
Energy: 1.3403897016258726
Energy: 1.336486560541828
Energy: 1.32603126344551
Energy: 1.3421945389131944
Energy: 1.3024241320291556
Energy: 1.3301320492232387
Energy: 1.2873956959484996
Energy: 1.3150511982927562
Energy: 1.3258927074193025
Energy: 1.2874125084795598
Energy: 1.3867030236595113
Energy: 1.3431565105407353
Energy: 1.3279936017427232
Energy: 1.340412972839208
Energy: 1.3363028538139354
Energy: 1.3359263087144937
Energy: 1.3882662012829767
Energy: 1.3294761248614682
Energy: 1.330253434653269
Energy: 1.3892496624348232
Energy: 1.3257747556714632
Energy: 1.3306252819743951
Energy: 1.4089879439172688
Energy: 1.317043700907446
Energy: 1.3045952308842528
Energy: 1.3380962443568487
Energy: 1.3169367672692982
Energy: 1.326667339934405
Energy: 1.395463279875049
Energy: 1.2880389345399703
Energy: 1.2889441331059728
Energy: 1.3388993056570635
Energy: 1.289861014814782
Energy: 1.2884978538244174
Energy: 1.3842791427157615
Energy: 1.3006720160316165
Energy: 1.2892885453871616
Energy: 1.3361327732028625
Energy: 1.3045391398801158
Energy: 1.3340778234049564
Energy: 1.4911978907098786
Energy: 1.3305273722829736
Energy: 1.3331761100142392
Energy: 1.4910411010653422
Energy: 1.312945357519144
Energy: 1.3321163999658854
Energy: 1.4901778560964127
Energy: 1.3179188525281087
Energy: 1.2885152171507277
Energy: 1.3375426375654094
Energy: 1.3037290986562027
Energy: 1.3333936786074105
Energy: 1.3775283883870328
Energy: 1.3126737305013112
Energy: 1.332870203538506
Energy: 1.2807942117824695
Energy: 1.30838384373897
Energy: 1.2756301381982984

minimum gb energy = 1.2740651255253963 eV
minimum distance =  2.28203105427896 Angstroms
sigma value = 57


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

Energy: 1.7209791549071827
Energy: 1.4649648014533831
Energy: 1.4654475186493583
Energy: 1.4644297748916253
Energy: 1.8487672287214503
Energy: 1.4694621857076373
Energy: 1.3042638800035022
Energy: 1.3543387103022348
Energy: 1.3562560320652455
Energy: 1.356199609313054
Energy: 1.353314830193527
Energy: 1.3589378386395823
Energy: 1.40668947716359
Energy: 1.3826333282559689
Energy: 1.4001738483667892
Energy: 1.3973414478857384
Energy: 1.3850040082295962
Energy: 1.356947361394712
Energy: 1.3351080659239938
Energy: 1.3595570695766244
Energy: 1.357693069069521
Energy: 1.349346001408233
Energy: 1.3301665953706832
Energy: 1.3555586159256205
Energy: 1.3473025450877434
Energy: 1.359522481027349
Energy: 1.3580131573292291
Energy: 1.3547474958047414
Energy: 1.3538690997295209
Energy: 1.3576663819282158
Energy: 1.4001108366579433
Energy: 1.409772214797944
Energy: 1.411035153521551
Energy: 1.3571091331892091
Energy: 1.4174857109020575
Energy: 1.4131022422326716
Energy: 1.4091600497106083
Energy: 1.357235954441854
Energy: 1.359622305099971
Energy: 1.4100676266624248
Energy: 1.3485550917085496
Energy: 1.4235530531447103
Energy: 1.4049117483464968
Energy: 1.3577251553965985
Energy: 1.3587860363630302
Energy: 1.3495260131498372
Energy: 1.3527112415192255
Energy: 1.3567495454302834
Energy: 1.3046165186813399
Energy: 1.3582008656540918
Energy: 1.460361670193484
Energy: 1.3118701604073058
Energy: 1.3528986225061852
Energy: 1.330613742135488
Energy: 1.3050759546990232
Energy: 1.3585522970694814
Energy: 1.3345473985193974
Energy: 1.309626721538499
Energy: 1.403610198547031
Energy: 1.3309392885289448
Energy: 1.4038918389747177
Energy: 1.356511421697644
Energy: 1.360257182176184
Energy: 1.3490566814658218
Energy: 1.3540657363661244
Energy: 1.3568428391985512
Energy: 1.3986109971405387
Energy: 1.4078107911864377
Energy: 1.4103184910826763
Energy: 1.395732167954145
Energy: 1.40904329161482
Energy: 1.4105007893164276
Energy: 1.3508412382085033
Energy: 1.3569647728588197
Energy: 1.3566761314289193
Energy: 1.3559888780007983
Energy: 1.3525170985145196
Energy: 1.3565805114384255
Energy: 1.4041967301849114
Energy: 1.4104295380412406
Energy: 1.410881921711012
Energy: 1.3531196876798703
Energy: 1.414144270575148
Energy: 1.3548059972582436
Energy: 1.351414621479513
Energy: 1.30406402210304
Energy: 1.3576312124297927
Energy: 1.3846699626083072
Energy: 1.3276293034777842
Energy: 1.3580146767457513
Energy: 1.4063874644045509
Energy: 1.3289585243082964
Energy: 1.3053856320604769
Energy: 1.397969238450707
Energy: 1.352941822033054
Energy: 1.3581491516088857
Energy: 1.3043064559985083
Energy: 1.353333540485779
Energy: 1.3543334717504174
Energy: 1.326323774569833
Energy: 1.3536396801794266
Energy: 1.3565129667913274

minimum gb energy = 1.30406402210304 eV
minimum distance =  2.28395266491381 Angstroms
sigma value = 9


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

Energy: 2.078989933423622
Energy: 1.5504723639488238
Energy: 1.4368391850036841
Energy: 1.4346593198378486
Energy: 1.467717391787461
Energy: 1.4345409105881286
Energy: 1.5944859867865289
Energy: 1.4022766660948098
Energy: 1.3993095731893561
Energy: 1.3913162267875414
Energy: 1.391587749042723
Energy: 1.3979627045004268
Energy: 1.513747318095974
Energy: 1.43132197988326
Energy: 1.3997235300409954
Energy: 1.4042392468848202
Energy: 1.4345893385370327
Energy: 1.40003251792914
Energy: 1.4524953960584897
Energy: 1.4029687711749517
Energy: 1.4034349831215012
Energy: 1.4160828340054283
Energy: 1.4027595179551118
Energy: 1.4130288461008182
Energy: 1.4205998843895609
Energy: 1.3881341752786183
Energy: 1.384559174034997
Energy: 1.3831331690786415
Energy: 1.3947982679771982
Energy: 1.3839220714504548
Energy: 1.429206925298679
Energy: 1.402481903190264
Energy: 1.402711617430829
Energy: 1.3952996235192656
Energy: 1.3997104431166905
Energy: 1.4025732598302463
Energy: 1.4304669538305104
Energy: 1.4585122215477775
Energy: 1.400405182515376
Energy: 1.3934863288120856
Energy: 1.4609846700875095
Energy: 1.4011724556054357
Energy: 1.4731228384813473
Energy: 1.407353409526042
Energy: 1.3951473118962154
Energy: 1.3870639995128997
Energy: 1.4207635443906896
Energy: 1.3941616979263238
Energy: 1.5796609994603796
Energy: 1.3885715612044989
Energy: 1.3859038946100686
Energy: 1.4000174386590962
Energy: 1.3947201700163792
Energy: 1.3977073171433623
Energy: 1.580181361856398
Energy: 1.3900635157117527
Energy: 1.3874926164193184
Energy: 1.4017300290123433
Energy: 1.3887527263462858
Energy: 1.3870711329546137
Energy: 1.4731132081186469
Energy: 1.383808329649967
Energy: 1.3827089369551402
Energy: 1.3896336363829347
Energy: 1.3835455450388732
Energy: 1.3829728532450192
Energy: 1.4716549776013679
Energy: 1.399093025177802
Energy: 1.3972831714267795
Energy: 1.3890680982245607
Energy: 1.40238091720819
Energy: 1.3842075891484085
Energy: 1.572362907924395
Energy: 1.3986778318101627
Energy: 1.3989199280970825
Energy: 1.3620757339799954
Energy: 1.397046750504806
Energy: 1.3620441961686438
Energy: 1.6185719829502023
Energy: 1.4087818410184547
Energy: 1.4093888282293991
Energy: 1.4004054160751913
Energy: 1.406578971905805
Energy: 1.408380947371974
Energy: 1.470700087273137
Energy: 1.3805952796069254
Energy: 1.3806858113134308
Energy: 1.3903943141333464
Energy: 1.3802224180728853
Energy: 1.387636309406832
Energy: 1.4524372028400954
Energy: 1.3957555305063913
Energy: 1.381399484834645
Energy: 1.4313278537491092
Energy: 1.4350873638124242
Energy: 1.466482691081138
Energy: 1.5009946741139333
Energy: 1.4134830003094458
Energy: 1.410678673223471
Energy: 1.405285048341874
Energy: 1.4141556499318828
Energy: 1.4103069094105325
Energy: 1.4999085641332932
Energy: 1.4430289215506316
Energy: 1.4391025518218916
Energy: 1.4370698217936986
Energy: 1.4490548786246267
Energy: 1.4376827050329783
Energy: 1.5113232014273887
Energy: 1.4042183498206455
Energy: 1.4021410762293571
Energy: 1.384009862577575
Energy: 1.4058481107098963
Energy: 1.4015739862225405
Energy: 1.514887435252052
Energy: 1.4056628001167748
Energy: 1.403594264126444
Energy: 1.4048275327492203
Energy: 1.3915102248168227
Energy: 1.4030060102427253
Energy: 1.5551303904080978
Energy: 1.3850500119154734
Energy: 1.3856816758939452
Energy: 1.4150833966418952
Energy: 1.3937674785106557
Energy: 1.3847222480955097

minimum gb energy = 1.3620441961686438 eV
minimum distance =  2.21521333157941 Angstroms
sigma value = 27


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

Energy: 1.9308836616649037
Energy: 1.3314294925904104
Energy: 1.33145878376446
Energy: 1.327770766330626
Energy: 1.90574898570849
Energy: 1.3299044968451044
Energy: 1.4012856281234414
Energy: 1.3388720301193053
Energy: 1.336831340603068
Energy: 1.3356985860285153
Energy: 1.4173573565692839
Energy: 1.336102386303372
Energy: 1.5702780272605152
Energy: 1.3586829983817355
Energy: 1.358412444908903
Energy: 1.3799108275329846
Energy: 1.3048229159562375
Energy: 1.352671411039592
Energy: 1.4397964751986452
Energy: 1.3506965796062702
Energy: 1.3488939422791546
Energy: 1.3567061401033116
Energy: 1.349092656741723
Energy: 1.350610181726398
Energy: 1.323511711166404
Energy: 1.3295917587542736
Energy: 1.335463118091734
Energy: 1.3139413252449157
Energy: 1.328989022120388
Energy: 1.3316622491206958
Energy: 1.3658082547938053
Energy: 1.354126966654998
Energy: 1.3529850908306589
Energy: 1.327316197417029
Energy: 1.3553771704941668
Energy: 1.353066895087288
Energy: 1.4655305532143172
Energy: 1.3806234421885013
Energy: 1.379893216108073
Energy: 1.4072004276835546
Energy: 1.3393134798078088
Energy: 1.3808067625679337
Energy: 1.4553401240696446
Energy: 1.3272946002060837
Energy: 1.327872663276362
Energy: 1.380514306592408
Energy: 1.327243032910001
Energy: 1.3284508661441803
Energy: 1.5925654470896502
Energy: 1.3300744508921285
Energy: 1.3350258359213685
Energy: 1.3292582276769793
Energy: 1.3287494565082378
Energy: 1.3313723632717633
Energy: 1.5909566829197983
Energy: 1.3673165404690424
Energy: 1.3423114570679044
Energy: 1.3307790587883028
Energy: 1.3716008656018737
Energy: 1.357005694903595
Energy: 1.5032312335785691
Energy: 1.3281691026008962
Energy: 1.3287083583484707
Energy: 1.3428870640279469
Energy: 1.3113493927287139
Energy: 1.329366371629488
Energy: 1.4878912311253831
Energy: 1.3386258284690793
Energy: 1.3387107039269968
Energy: 1.33918852666076
Energy: 1.33825181675932
Energy: 1.3375845915882891
Energy: 1.4667395540253871
Energy: 1.4039408975465086
Energy: 1.4044013925731242
Energy: 1.3818933033189646
Energy: 1.4052428231976353
Energy: 1.4054607113473252
Energy: 1.46981345227677
Energy: 1.3399930909494895
Energy: 1.3395692408020405
Energy: 1.3403799964534011
Energy: 1.369575741619748
Energy: 1.3402845911680334
Energy: 1.489158261148288
Energy: 1.3398021830957858
Energy: 1.3383117940035314
Energy: 1.339847810611564
Energy: 1.3394943750154638
Energy: 1.3389733091474694
Energy: 1.4555600821144319
Energy: 1.3418050817625615
Energy: 1.3469503843072654
Energy: 1.3543121064373715
Energy: 1.3412416110582803
Energy: 1.3496189516038222
Energy: 1.3229769946206766
Energy: 1.3822929989990633
Energy: 1.3432868588436129
Energy: 1.3121586181265625
Energy: 1.3474480258773298
Energy: 1.3411218324016165
Energy: 1.37067101676387
Energy: 1.3294228639821672
Energy: 1.3286117180352421
Energy: 1.3272942393123175
Energy: 1.3294264175328447
Energy: 1.328107079444368
Energy: 1.4419257133769539
Energy: 1.367823073689132
Energy: 1.378060675049233
Energy: 1.3795010254747737
Energy: 1.3652101618341288
Energy: 1.3803997912501473
Energy: 1.424938112078497
Energy: 1.3675520912804597
Energy: 1.378675481327367
Energy: 1.3555192220097034
Energy: 1.329034040205199
Energy: 1.3802438429514747
Energy: 1.5866731694270724
Energy: 1.3298059469560048
Energy: 1.329302527130644
Energy: 1.326833342542382
Energy: 1.32812546859406
Energy: 1.3281471371792748
Energy: 1.3147257240408885
Energy: 1.327750270780846
Energy: 1.3342424205201056
Energy: 1.304288165085018
Energy: 1.3298036349158011
Energy: 1.3382154424985666
Energy: 1.476364090549
Energy: 1.3677606231103898
Energy: 1.367804424305254
Energy: 1.3273028646357456
Energy: 1.3684954619710192
Energy: 1.327693688356008
Energy: 1.5609116308033044
Energy: 1.3471881223852327
Energy: 1.3493049944855673
Energy: 1.346656734577663
Energy: 1.3471189218685446
Energy: 1.352502829293629
Energy: 1.500353211360767
Energy: 1.3764973828780807
Energy: 1.328913963862959
Energy: 1.313288325986126
Energy: 1.3784862951560841
Energy: 1.3127998235716976

minimum gb energy = 1.304288165085018 eV
minimum distance =  2.20148143751247 Angstroms
sigma value = 19


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

Energy: 2.0088153901342336
Energy: 1.2747602992380098
Energy: 1.2784421158191925
Energy: 1.299341316028888
Energy: 1.3562743896346727
Energy: 1.2781604649938432
Energy: 1.5246196612145455
Energy: 1.295999397375644
Energy: 1.2966260774478398
Energy: 1.2931367600800732
Energy: 1.348269177910545
Energy: 1.296053161038628
Energy: 1.4624662051815387
Energy: 1.2968840087474882
Energy: 1.299782867394999
Energy: 1.2946583230173774
Energy: 1.295330237218098
Energy: 1.2966984089318807
Energy: 1.3924315228782393
Energy: 1.2957112151945491
Energy: 1.297107121736008
Energy: 1.3329380580069434
Energy: 1.2946553951697948
Energy: 1.298345380086789
Energy: 1.3043525654246422
Energy: 1.296323408221915
Energy: 1.2951659788538452
Energy: 1.3022862337641306
Energy: 1.2951829512341204
Energy: 1.2975298404106208
Energy: 1.3412411388416834
Energy: 1.298626957643869
Energy: 1.2988464448400203
Energy: 1.3138938809765868
Energy: 1.300841054469825
Energy: 1.2969405948521942
Energy: 1.3123847422217543
Energy: 1.2830634301961648
Energy: 1.3207818445925594
Energy: 1.2952351774067399
Energy: 1.282757694643245
Energy: 1.3190005292217766
Energy: 1.3389282901189914
Energy: 1.2884104445426818
Energy: 1.2958122916317603
Energy: 1.3676106999572766
Energy: 1.2872848361315146
Energy: 1.2965800243870658
Energy: 1.2880779328774132
Energy: 1.2971523509531526
Energy: 1.2964665009384744
Energy: 1.2935831770960382
Energy: 1.2983348048911565
Energy: 1.2956329000109907
Energy: 1.2894950179626727
Energy: 1.2936442877329202
Energy: 1.296744698293919
Energy: 1.2944120526571994
Energy: 1.2964874146661554
Energy: 1.2984789088022959
Energy: 1.480066375268704
Energy: 1.2762090092985434
Energy: 1.279364983402199
Energy: 1.349971299067965
Energy: 1.2746465120212214
Energy: 1.275215056605359
Energy: 1.4907968454888119
Energy: 1.274621910611957
Energy: 1.2757692206126567
Energy: 1.2760727804412642
Energy: 1.2731449014117653
Energy: 1.2767084232406019
Energy: 1.3634492526812618
Energy: 1.348492662575566
Energy: 1.3012169796124833
Energy: 1.2631498521667788
Energy: 1.3195971789149004
Energy: 1.271585650904812
Energy: 1.4538823908009244
Energy: 1.294210477047342
Energy: 1.2935611441694348
Energy: 1.2666986516739795
Energy: 1.3444832259448032
Energy: 1.296636976024608
Energy: 1.4602487117458445
Energy: 1.2735267600907605
Energy: 1.2743781921830502
Energy: 1.2759445055881318
Energy: 1.2727382467008248
Energy: 1.2751772580523422
Energy: 1.4732964390492522
Energy: 1.2756470459058582
Energy: 1.2764037380143285
Energy: 1.27610512679901
Energy: 1.286590070961963
Energy: 1.276915413875248
Energy: 1.3277324692259764
Energy: 1.2948591691357596
Energy: 1.3107949866882131
Energy: 1.2683624025971763
Energy: 1.3599576207004656
Energy: 1.3105886972311718
Energy: 1.4058737521609226
Energy: 1.274877339737877
Energy: 1.2755221517991222
Energy: 1.2648897369367231
Energy: 1.2746122189259907
Energy: 1.2759326754534284
Energy: 1.4216822371052857
Energy: 1.2672241743215806
Energy: 1.2679316327361707
Energy: 1.3588151388242693
Energy: 1.2662660598538649
Energy: 1.2753914494975263
Energy: 1.3799759830139509
Energy: 1.2671593915232344
Energy: 1.268034729057596
Energy: 1.2798375285234986
Energy: 1.2663340156417175
Energy: 1.2751168664114398
Energy: 1.2812758840721379
Energy: 1.2750129880818784
Energy: 1.275282566629771
Energy: 1.2743569434821422
Energy: 1.275211486684854
Energy: 1.2754683375431566
Energy: 1.2661439191605661
Energy: 1.277180752554173
Energy: 1.2767293124742327
Energy: 1.2728578085504914
Energy: 1.2768811320263538
Energy: 1.2757203151913805
Energy: 1.434867781403757
Energy: 1.2632016676013391
Energy: 1.2614461599724405
Energy: 1.35872513474774
Energy: 1.2613585347698304
Energy: 1.2876750976511522
Energy: 1.4221730143630489
Energy: 1.2607989922087386
Energy: 1.2761842481754757
Energy: 1.379614428960735
Energy: 1.2597021459545468
Energy: 1.2755412385449627
Energy: 1.3688993040911925
Energy: 1.2755406068286743
Energy: 1.2754631031732362
Energy: 1.272426563445536
Energy: 1.275369140576209
Energy: 1.2749286968301747
Energy: 1.3174828988445506
Energy: 1.2959840731896317
Energy: 1.2966750574234973
Energy: 1.2858724162484745
Energy: 1.2958843663804462
Energy: 1.2759875004027346
Energy: 1.462508720879942
Energy: 1.2961283951675429
Energy: 1.297059105884193
Energy: 1.2961251070768358
Energy: 1.2946321249426456
Energy: 1.2965085051660619
Energy: 1.4623340427753895
Energy: 1.295044610918717
Energy: 1.2958110220405845
Energy: 1.2981739276273234
Energy: 1.2941141768184246
Energy: 1.296559842928551
Energy: 1.3977467646489816
Energy: 1.2945068911587203
Energy: 1.2962419475478062
Energy: 1.2568660399437461
Energy: 1.3959753322066077
Energy: 1.2696325972890241

minimum gb energy = 1.2568660399437461 eV
minimum distance =  2.20675212605973 Angstroms
sigma value = 101


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

Energy: 1.8263063011668612
Energy: 1.2371201193480093
Energy: 1.236552206480028
Energy: 1.2763587817523774
Energy: 1.2268740966712839
Energy: 1.1956512446116627
Energy: 1.4440572567190462
Energy: 1.256850529429391
Energy: 1.230094642419314
Energy: 1.2287677261233074
Energy: 1.241031693083537
Energy: 1.2322589184609969
Energy: 1.4566982486437297
Energy: 1.2327234034494594
Energy: 1.2378918919293256
Energy: 1.2783179647183494
Energy: 1.2289194967711998
Energy: 1.2278383882624806
Energy: 1.3093359416927055
Energy: 1.2299087260371997
Energy: 1.2314680073781135
Energy: 1.2300100535724363
Energy: 1.2286076651949613
Energy: 1.2321031413847672
Energy: 1.2370681579301965
Energy: 1.2740783916614857
Energy: 1.2299679216408277
Energy: 1.2362042599222869
Energy: 1.2732616733706392
Energy: 1.2450595805275995
Energy: 1.2633233300837563
Energy: 1.2309480521315732
Energy: 1.2576978823300529
Energy: 1.2391668446617699
Energy: 1.235235342625196
Energy: 1.2307881516036112
Energy: 1.2645758526924988
Energy: 1.2213737575080295
Energy: 1.216126556577689
Energy: 1.2872043040325887
Energy: 1.2185428217255945
Energy: 1.2159325532158487
Energy: 1.2199189175396203
Energy: 1.232568459671815
Energy: 1.2331841412154558
Energy: 1.2308553290350261
Energy: 1.2164523670110803
Energy: 1.2319421005299112
Energy: 1.2202063565348602
Energy: 1.2295436996603
Energy: 1.229161586324233
Energy: 1.2300623889398778
Energy: 1.2297544000443261
Energy: 1.2422533404802503
Energy: 1.2188430001865804
Energy: 1.2314529379688424
Energy: 1.2314707044698694
Energy: 1.2277494461475702
Energy: 1.2289831175055184
Energy: 1.2306977790499332
Energy: 1.4253020984813107
Energy: 1.2074460291754305
Energy: 1.212081156054698
Energy: 1.2728956686569515
Energy: 1.2054823462869897
Energy: 1.2025823948451166
Energy: 1.4529949530365065
Energy: 1.2268611987165976
Energy: 1.2277831904503
Energy: 1.2284539757473845
Energy: 1.2239687010113303
Energy: 1.228603381085611
Energy: 1.2681551998314124
Energy: 1.225013840892502
Energy: 1.257003489308882
Energy: 1.2152328929293175
Energy: 1.2804009366889042
Energy: 1.2317164847049198
Energy: 1.305873424225074
Energy: 1.2293747784053848
Energy: 1.227047740784292
Energy: 1.21530339798155
Energy: 1.2584175970351117
Energy: 1.2268917027335926
Energy: 1.4576257107672534
Energy: 1.229534895911951
Energy: 1.2352481440501943
Energy: 1.2291523022931174
Energy: 1.225934564064997
Energy: 1.2295525895299821
Energy: 1.4562338021216765
Energy: 1.2307724259408055
Energy: 1.2314222841067062
Energy: 1.2563477574787036
Energy: 1.2419341762993796
Energy: 1.2329683404019092
Energy: 1.2922189505181143
Energy: 1.2857092668246684
Energy: 1.2383975302626424
Energy: 1.1913279507403105
Energy: 1.2337655486713617
Energy: 1.1896873929260048
Energy: 1.4492797585982036
Energy: 1.2311250497378352
Energy: 1.2304415182759687
Energy: 1.2357697544582522
Energy: 1.276887003388855
Energy: 1.2378472392749662
Energy: 1.4925879143653031
Energy: 1.2293505238272444
Energy: 1.2303016439599017
Energy: 1.2292209289086253
Energy: 1.2283491533069943
Energy: 1.2306483030389386
Energy: 1.4224535748759715
Energy: 1.2298445368893263
Energy: 1.2313459874626278
Energy: 1.2304331650747828
Energy: 1.2285827565826843
Energy: 1.2325669268216273
Energy: 1.2366095790990237
Energy: 1.2303856458892675
Energy: 1.2299312891661227
Energy: 1.2400296175478418
Energy: 1.2276277381044385
Energy: 1.236242746875693
Energy: 1.3087710468089129
Energy: 1.2353795594177
Energy: 1.2348083369696734
Energy: 1.240357462747637
Energy: 1.2307032469328236
Energy: 1.233819579653973
Energy: 1.2631498337832499
Energy: 1.2209875919818736
Energy: 1.2190003230600666
Energy: 1.226695020053503
Energy: 1.2181946403252035
Energy: 1.2479936882102642
Energy: 1.220511472591342
Energy: 1.2171632533108432
Energy: 1.2175122747368001
Energy: 1.2652875447240237
Energy: 1.2159665112371798
Energy: 1.2296071718561707
Energy: 1.2313618038386447
Energy: 1.2314243742941873
Energy: 1.2320466013614926
Energy: 1.227406591086994
Energy: 1.2314305928995108
Energy: 1.2313001997662378
Energy: 1.2210561046000936
Energy: 1.2300178941666882
Energy: 1.2297104930164957
Energy: 1.2278001072950973
Energy: 1.229302409727137
Energy: 1.2284047539332608
Energy: 1.3154736955593427
Energy: 1.206763574668364
Energy: 1.203593532951023
Energy: 1.281103490242957
Energy: 1.2058444758668474
Energy: 1.2040182396030585
Energy: 1.453543704416664
Energy: 1.2018220858109148
Energy: 1.2040920353138476
Energy: 1.2268656722578946
Energy: 1.1997697874641666
Energy: 1.2265163333918965
Energy: 1.2675907532651998
Energy: 1.228678255391591
Energy: 1.2257460938286409
Energy: 1.2145430512568884
Energy: 1.2575697127934504
Energy: 1.2259533539988052
Energy: 1.2694398530065305
Energy: 1.2565016472916437
Energy: 1.228873699096936
Energy: 1.2143864790858243
Energy: 1.257757512059581
Energy: 1.2276375227303367
Energy: 1.457300102719019
Energy: 1.2270887976688594
Energy: 1.2275345534372337
Energy: 1.2283602480561715
Energy: 1.2265974799405288
Energy: 1.2280122744397288
Energy: 1.4546834681059528
Energy: 1.2291532073851132
Energy: 1.2298671598518152
Energy: 1.2319875174736212
Energy: 1.2286393209106294
Energy: 1.2309234024060558
Energy: 1.2942298949625637
Energy: 1.2769171972071036
Energy: 1.2364355042809794
Energy: 1.1918541393145463
Energy: 1.232472344333599
Energy: 1.2362622630304234

minimum gb energy = 1.1896873929260048 eV
minimum distance =  2.2085988485011 Angstroms
sigma value = 33


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

Energy: 0.020352546189480986
Energy: 0.021388854537560318
Energy: 0.02137219468308812
Energy: 0.02294883776300164
Energy: 1.0593993091450713
Energy: 0.021016573295548464
Energy: 0.021568822192431905
Energy: 0.16875901094550397
Energy: 0.16630933417900276
Energy: 0.1687166563373153
Energy: 0.16871729145194064
Energy: 0.16636406455535527
Energy: 1.6189346053349296
Energy: 1.0618147566868716
Energy: 1.0594824667153289
Energy: 1.0599655300389816
Energy: 1.0597058966252126
Energy: 1.0595813786249648
Energy: 0.7241238924669595
Energy: 0.16875901094550397
Energy: 0.16630933417900276
Energy: 0.1687166563382508
Energy: 0.16871729145240844
Energy: 0.16636406455582303

minimum gb energy = 0.020352546189480986 eV
minimum distance =  2.45517948604301 Angstroms
sigma value = 1