Model name: model_name=EAM_Dynamo_PunYamakovMishin_2013_NiAlCo__MO_826591359508_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=3.5200000256299973
cohesive_energy=4.450349963542659
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.1312153585467998e-19, 2.97921540739032e-19, 3.61765075250664e-19, 4.1338400204487597e-19, 4.5656426450781e-19, 4.93417531443078e-19, 5.25268802926998e-19, 5.53024910934414e-19, 5.773315326488279e-19, 5.98678934120244e-19, 6.174436268576519e-19, 6.33922013538342e-19, 6.483592271873159e-19, 6.609555398838239e-19, 6.718775779978019e-19, 6.812647308964079e-19, 6.892435705337279e-19, 6.95915034037704e-19, 7.01372047653108e-19, 7.0569472021164e-19, 7.089567518384639e-19, 7.112190252456719e-19, 7.1253921879208805e-19, 7.1296860213e-19, 7.125071752594079e-19, 7.11017150989788e-19, 7.08319085538132e-19, 7.04195082882216e-19, 6.983903969372339e-19, 6.905974097894579e-19, 6.804492229897019e-19, 6.67494022727178e-19, 6.5118867112296e-19, 6.308666626973039e-19, 6.057028764837e-19, 5.746719194363879e-19, 5.364888458949e-19, 4.895290487523599e-19, 4.3171290273783596e-19, 3.60351955459476e-19, 2.71927827029016e-19, 1.61770172558346e-19, 2.35773109106172e-20, -1.5130571609103838e-19, -3.7501347383721e-19, -6.649577771155559e-19, -1.0468477930658939e-18, -1.559843922976452e-18, -2.2657341087374398e-18, -3.2666619172962597e-18, -4.743356077321379e-18, -6.96948437966634e-18, -4.1112172863766795e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01810199732777918
Energy: 0.018717644757569728
Energy: 0.01853177459889004
Energy: 0.018399697552128863
Energy: 0.7102266545625945
Energy: 0.01853261381637026
Energy: 0.018717644757569728
Energy: 0.1571793517572322
Energy: 0.15694867856909628
Energy: 0.15566807551903783
Energy: 0.15507189056932813
Energy: 0.15669996560175461
Energy: 0.01853177459889004
Energy: 0.15694867856652367
Energy: 0.1562231717315006
Energy: 0.018530387075978205
Energy: 0.1551372306546861
Energy: 0.1558733517872128
Energy: 0.018399697552128863
Energy: 0.1556680755206549
Energy: 0.018530387075978205
Energy: 0.018398552826300624
Energy: 0.15494694669150702
Energy: 0.018587226765992487
Energy: 0.7102266545625945
Energy: 0.15507189056932813
Energy: 0.15513723065079044
Energy: 0.15494694669150702
Energy: 0.15490594654654757
Energy: 0.1550721704449101
Energy: 0.01853261381637026
Energy: 0.15669996560208538
Energy: 0.15587335178754352
Energy: 0.018587226765661723
Energy: 0.1550721704471887
Energy: 0.018328260635273045

minimum gb energy = 0.01810199732777918 eV
minimum distance =  2.48667764383156 Angstroms
sigma value = 1


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

Energy: 1.7767987835535624
Energy: 1.1998204651771092
Energy: 1.1863912119027067
Energy: 1.1953968946152365
Energy: 1.1860619248194924
Energy: 1.1862750781575895
Energy: 1.8271141721336086
Energy: 1.2160980405491677
Energy: 1.1516660552251123
Energy: 1.1449820198823077
Energy: 1.2145922772344542
Energy: 1.160045006037995
Energy: 1.8517824156026885
Energy: 1.1507614107118755
Energy: 1.1035500348483367
Energy: 1.1205926640824666
Energy: 1.214328446219816
Energy: 1.121730364844572
Energy: 1.8756397388381663
Energy: 1.1352390229585136
Energy: 1.120820989322766
Energy: 1.121486463411053
Energy: 1.1526572124287449
Energy: 1.120985569842294
Energy: 1.7064504351918879
Energy: 1.1814397178901541
Energy: 1.1817389532600515
Energy: 1.1866208893354586
Energy: 1.1811083244317908
Energy: 1.1625819329556581
Energy: 1.6593106380865963
Energy: 1.1604691370876408
Energy: 1.160959721823591
Energy: 1.1630823978803282
Energy: 1.1814507016968145
Energy: 1.16314137815623
Energy: 1.6555393537571845
Energy: 1.1609134257049578
Energy: 1.162528805055736
Energy: 1.1627451537968077
Energy: 1.160912958141278
Energy: 1.1638717765251603
Energy: 1.627340138586483
Energy: 1.1827959880505194
Energy: 1.1819433015484393
Energy: 1.1480340277375063
Energy: 1.1800723802114654
Energy: 1.1638895675869751
Energy: 1.3064407814211154
Energy: 1.164016200505985
Energy: 1.1632102020474173
Energy: 1.1807348907185782
Energy: 1.161259066293922
Energy: 1.1611373006808332
Energy: 1.3057732787409093
Energy: 1.1869972674609863
Energy: 1.1859551595432822
Energy: 1.180644569981763
Energy: 1.1887065765737046
Energy: 1.185118300555573
Energy: 1.4689356835549339
Energy: 1.1335083358126024
Energy: 1.133967546495358
Energy: 1.2438911791795293
Energy: 1.1335664447737692
Energy: 1.1031473629284227
Energy: 1.2156090737446696
Energy: 1.120871182268173
Energy: 1.1215643215260558
Energy: 1.2157489560385948
Energy: 1.1094635220478444
Energy: 1.121685013517093
Energy: 1.2139638774694137
Energy: 1.1612744372790142
Energy: 1.1598767108245611
Energy: 1.214142704734404
Energy: 1.1236183672478497
Energy: 1.1429862563140558
Energy: 1.2326745893403255
Energy: 1.1213196883325134
Energy: 1.1208224369315296
Energy: 1.1876019305200425
Energy: 1.1213672394229037
Energy: 1.133158212586697
Energy: 1.2303642446539265
Energy: 1.185326223552995
Energy: 1.183916571969728
Energy: 1.192341073904919
Energy: 1.166781638128944
Energy: 1.1736180817289101
Energy: 1.231572175340664
Energy: 1.1215384062455203
Energy: 1.121261106733474
Energy: 1.19307655807834
Energy: 1.1213091346120594
Energy: 1.1213826075231097
Energy: 1.4507312366083078
Energy: 1.1611691881298933
Energy: 1.1607867787577266
Energy: 1.1214525621965123
Energy: 1.1614022048599302
Energy: 1.121689389667566
Energy: 1.4522367406131862
Energy: 1.1638182336193816
Energy: 1.183601823902496
Energy: 1.182752374569216
Energy: 1.1604617045545884
Energy: 1.1827784177430254
Energy: 1.4515378607267275
Energy: 1.1834543803744002
Energy: 1.1824125583547263
Energy: 1.1827378675270048
Energy: 1.1858100474166513
Energy: 1.1835694078960806
Energy: 1.698688828963559
Energy: 1.1840676222245643
Energy: 1.1835061899746762
Energy: 1.185791420236706
Energy: 1.1862388228081802
Energy: 1.1831304526959687
Energy: 1.766504250577815
Energy: 1.1219105049083296
Energy: 1.1336778331392277
Energy: 1.133705051843607
Energy: 1.160469575986878
Energy: 1.1340841203327674
Energy: 1.7638895385854736
Energy: 1.1431855292491808
Energy: 1.1218290786320888
Energy: 1.1336708913318982
Energy: 1.1949689260515177
Energy: 1.1215436503993002
Energy: 1.7710286101296224
Energy: 1.1919756724497987
Energy: 1.162850466542785
Energy: 1.1340391202247952
Energy: 1.1916920506901547
Energy: 1.1837524368187726

minimum gb energy = 1.1031473629284227 eV
minimum distance =  2.28130126032144 Angstroms
sigma value = 33


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

Energy: 1.9396334902146999
Energy: 1.1675397292522074
Energy: 1.1675845957143536
Energy: 1.1672937464135384
Energy: 1.1525972112275362
Energy: 1.167393053762427
Energy: 1.3912698046946042
Energy: 1.19996050720813
Energy: 1.1511791317883056
Energy: 1.1613682951180655
Energy: 1.2002059384459034
Energy: 1.1671942092916865
Energy: 1.6565965454847436
Energy: 1.2002514307602683
Energy: 1.2000776266483424
Energy: 1.1601908235900107
Energy: 1.2001857376181233
Energy: 1.1517458879846292
Energy: 1.6526219661624322
Energy: 1.2001095211568396
Energy: 1.152068551315653
Energy: 1.1648103759732698
Energy: 1.201373616418931
Energy: 1.1644954773684228
Energy: 1.5293224521377693
Energy: 1.214363992441928
Energy: 1.2132538309762768
Energy: 1.2144773728259186
Energy: 1.215093460972297
Energy: 1.181597217997954
Energy: 1.6556987595108486
Energy: 1.1641259020770736
Energy: 1.1618534088547394
Energy: 1.1685317087681373
Energy: 1.2143976678513217
Energy: 1.161525405772834
Energy: 1.654549679017369
Energy: 1.1620864362331687
Energy: 1.1692107784946821
Energy: 1.1685231978299737
Energy: 1.16238945904172
Energy: 1.1687657599271088
Energy: 1.5270495887669522
Energy: 1.212101336944082
Energy: 1.208731491099483
Energy: 1.222032518936206
Energy: 1.207446095989624
Energy: 1.2087789075071584
Energy: 1.2916740826752837
Energy: 1.2068861563197608
Energy: 1.161808514167334
Energy: 1.2140654276268597
Energy: 1.2070314279820074
Energy: 1.215942827652829
Energy: 1.2920358998798218
Energy: 1.2132648979012577
Energy: 1.2133476173975044
Energy: 1.2131835130854804
Energy: 1.2133669727719791
Energy: 1.2217826412086763
Energy: 1.3506769729214816
Energy: 1.0845453434430328
Energy: 1.08438434797169
Energy: 1.3029597457524897
Energy: 1.0846560684584972
Energy: 1.0845671339484166
Energy: 1.1998917400753955
Energy: 1.159161132410909
Energy: 1.1621310008274726
Energy: 1.1998885813831321
Energy: 1.1003933693730228
Energy: 1.152439581132656
Energy: 1.200361932130474
Energy: 1.2124178169309798
Energy: 1.180094124147594
Energy: 1.2004089239226776
Energy: 1.2120715592826834
Energy: 1.2000080804004596
Energy: 1.3511762672325172
Energy: 1.1647671660620125
Energy: 1.1648877934549509
Energy: 1.1524059345795756
Energy: 1.164864417665092
Energy: 1.166052805089948
Energy: 1.290013096366646
Energy: 1.213460202555448
Energy: 1.2168147025520624
Energy: 1.2142156160188666
Energy: 1.2137844216755096
Energy: 1.2220355568803445
Energy: 1.2925127207417602
Energy: 1.1605488107234778
Energy: 1.1615317303624433
Energy: 1.2141135963892118
Energy: 1.168245277826922
Energy: 1.1621163385787106
Energy: 1.526079450742387
Energy: 1.1689098162958478
Energy: 1.1689413485436253
Energy: 1.1114529802158453
Energy: 1.168697453770424
Energy: 1.1689289955090811
Energy: 1.3900981780795745
Energy: 1.223051959149637
Energy: 1.1692878281441874
Energy: 1.2072401037757092
Energy: 1.221742463752894
Energy: 1.2075718004536138
Energy: 1.3903175586357286
Energy: 1.2143480648104428
Energy: 1.214871830513719
Energy: 1.2069587077566268
Energy: 1.2140792317960067
Energy: 1.1626120193899778
Energy: 1.5256295518080198
Energy: 1.213359180780587
Energy: 1.2131396144571558
Energy: 1.215074255804784
Energy: 1.2132984336187596
Energy: 1.1765244285282812
Energy: 1.9017703212397228
Energy: 1.1517904390395959
Energy: 1.0840650811394812
Energy: 1.0845437797698951
Energy: 1.1516524898376443
Energy: 1.0840294617903992
Energy: 1.8978665885683064
Energy: 1.1998905815683123
Energy: 1.152004884141824
Energy: 1.0849714941947566
Energy: 1.199803844807217
Energy: 1.161807616759317
Energy: 1.667840538049081
Energy: 1.200218068800708
Energy: 1.2000977829113064
Energy: 1.213055636677832
Energy: 1.2002189427676688
Energy: 1.1113678976024215
Energy: 1.6641696972341071
Energy: 1.3013854260525524
Energy: 1.151308285563105
Energy: 1.1658542736928288
Energy: 1.3018367232765096
Energy: 1.140701328020109
Energy: 1.5243110902771697
Energy: 1.2223506140651468
Energy: 1.2220561978079696
Energy: 1.2128534755187461
Energy: 1.2214512140323097
Energy: 1.1698743978052644
Energy: 1.6580971464242131
Energy: 1.2136660316939294
Energy: 1.161716061860282
Energy: 1.1681198458308109
Energy: 1.2131363294860285
Energy: 1.161931568976826
Energy: 1.6533576442208533
Energy: 1.1699532644035586
Energy: 1.1691415807395642
Energy: 1.1689066644483883
Energy: 1.1134331168618412
Energy: 1.1689899291388994
Energy: 1.5303939310979278
Energy: 1.2067581622543326
Energy: 1.2090348056532805
Energy: 1.2147111959749919
Energy: 1.2068133602935411
Energy: 1.1676456359817258
Energy: 1.2916111126712209
Energy: 1.212070497956854
Energy: 1.208471162810778
Energy: 1.214803056925484
Energy: 1.2069895588704018
Energy: 1.1611065492583688
Energy: 1.2913758305916727
Energy: 1.212467951806987
Energy: 1.2118671671442316
Energy: 1.215170012128502
Energy: 1.213848111972603
Energy: 1.2130961198645218
Energy: 1.5209749515075552
Energy: 1.0841585116423544
Energy: 1.084020693569136
Energy: 1.151965583215589
Energy: 1.0842800960335772
Energy: 1.0837107342152437
Energy: 1.1997035070760909
Energy: 1.084767585296895
Energy: 1.0840820218839042
Energy: 1.1998029904190703
Energy: 1.0847117784117735
Energy: 1.1127919088172418
Energy: 1.2009843307907204
Energy: 1.212337998485388
Energy: 1.180232539132072
Energy: 1.2007221353531405
Energy: 1.2122214886696547
Energy: 1.200277897595932
Energy: 1.200404345355795
Energy: 1.1651303940773843
Energy: 1.1654204004855866
Energy: 1.2003520108355
Energy: 1.1651367029091686
Energy: 1.1070638565872086
Energy: 1.2899732076567505
Energy: 1.2121217534995503
Energy: 1.1813635996703424
Energy: 1.165402897432481
Energy: 1.2128216546011228
Energy: 1.22166427035691
Energy: 1.2900637605681393
Energy: 1.1612654694702609
Energy: 1.1613619333905465
Energy: 1.214028688887194
Energy: 1.1528522512695882
Energy: 1.162223906515694
Energy: 1.2898865663147083
Energy: 1.1688599664298365
Energy: 1.168911241048867
Energy: 1.1415925996415672
Energy: 1.1687765851516367
Energy: 1.1690083316058661
Energy: 1.3902257777370857
Energy: 1.2149998704875469
Energy: 1.1626380406371744
Energy: 1.2069379625412266
Energy: 1.2145426603303653
Energy: 1.2208643408122084
Energy: 1.3902861685156667
Energy: 1.2135445467251733
Energy: 1.221926167495924
Energy: 1.2073592133594875
Energy: 1.213407655501105
Energy: 1.2072970158054763
Energy: 1.5259592008356646
Energy: 1.2138478774256878
Energy: 1.214639574767787
Energy: 1.1782205501685736
Energy: 1.2138902011832469
Energy: 1.213053419953832
Energy: 1.9057398475019145
Energy: 1.1516438884720042
Energy: 1.083680303069751
Energy: 1.084948414302058
Energy: 1.1518494761672216
Energy: 1.0836075791858792

minimum gb energy = 1.0836075791858792 eV
minimum distance =  2.33505385361063 Angstroms
sigma value = 51


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

Energy: 1.8356287244380924
Energy: 1.3342583714780187
Energy: 1.3346021039266986
Energy: 1.2228984490640404
Energy: 1.3354594216893405
Energy: 1.2040381642251132
Energy: 1.5113844065080686
Energy: 1.238603509411264
Energy: 1.2384295516108956
Energy: 1.1184524585102473
Energy: 1.2386883411249796
Energy: 1.1948225266443258
Energy: 1.6740721987555656
Energy: 1.2388622807407554
Energy: 1.2384309361453543
Energy: 1.1729134034359716
Energy: 1.2389296482932224
Energy: 1.1517821250600482
Energy: 1.670323893132687
Energy: 1.1510490380025764
Energy: 1.161134276540387
Energy: 1.1710032408560187
Energy: 1.2003611929729843
Energy: 1.1576434077688078
Energy: 1.3261295883944866
Energy: 1.2320635661183792
Energy: 1.2317280508797284
Energy: 1.2349558417215558
Energy: 1.2340130347985874
Energy: 1.2300799263513973
Energy: 1.4180381012625096
Energy: 1.2364123125665094
Energy: 1.207679637933983
Energy: 1.2349163104147947
Energy: 1.2349933143083909
Energy: 1.2027848635329565
Energy: 1.4177641034541146
Energy: 1.238982293391501
Energy: 1.2305436389853912
Energy: 1.2351030033200892
Energy: 1.2086028377706304
Energy: 1.2339345254385825
Energy: 1.4371772355018537
Energy: 1.1499724490952985
Energy: 1.1279217236860313
Energy: 1.1978734474592094
Energy: 1.1504833656611135
Energy: 1.1279356267036584
Energy: 1.238807375930499
Energy: 1.1285415154811966
Energy: 1.1290366420110036
Energy: 1.2389528041586224
Energy: 1.1508533391618936
Energy: 1.1748327295695247
Energy: 1.238846174640478
Energy: 1.1831813161013955
Energy: 1.2687211072950415
Energy: 1.2388939054593573
Energy: 1.1839101979657303
Energy: 1.238423096381126
Energy: 1.2393403729944223
Energy: 1.1696708855523004
Energy: 1.159695614612598
Energy: 1.2393820525993549
Energy: 1.1983068699973576
Energy: 1.1488019053172218
Energy: 1.267894743919542
Energy: 1.2334567323441585
Energy: 1.268394896454052
Energy: 1.2015319603102232
Energy: 1.1586844259826088
Energy: 1.2327106501176244
Energy: 1.2676400255478997
Energy: 1.162330408944537
Energy: 1.1633051351913677
Energy: 1.232579285919996
Energy: 1.1621046760726663
Energy: 1.1932968351413604
Energy: 1.2683032505041458
Energy: 1.1731489700016444
Energy: 1.1732417606096626
Energy: 1.1895170191105486
Energy: 1.1731835708550518
Energy: 1.1863370004743645
Energy: 1.510337366762167
Energy: 1.166339006819935
Energy: 1.166497194840241
Energy: 1.1864390454241112
Energy: 1.166454194075228
Energy: 1.172297741832247
Energy: 1.5107287434951477
Energy: 1.2330875995785024
Energy: 1.1671453416785458
Energy: 1.185685679191483
Energy: 1.2332865679420228
Energy: 1.1863156731263638
Energy: 1.7042773348648068
Energy: 1.2334316135420278
Energy: 1.2328399707445514
Energy: 1.1726170422900324
Energy: 1.2334178762737797
Energy: 1.2326526368241073
Energy: 1.8263562701917442
Energy: 1.1926683959866833
Energy: 1.1588436719865112
Energy: 1.149539159057467
Energy: 1.2390339928708403
Energy: 1.1580461483939934

minimum gb energy = 1.1184524585102473 eV
minimum distance =  2.29802826109243 Angstroms
sigma value = 19


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

Energy: 1.7598622065202991
Energy: 1.2768155000406904
Energy: 1.1325727544394744
Energy: 1.3363901051138158
Energy: 1.1518318361789062
Energy: 1.2765136109492865
Energy: 1.1927795654192892
Energy: 1.1979243869530394
Energy: 1.1620273756656951
Energy: 1.1897495042432524
Energy: 1.1982105279344966
Energy: 1.1617131323440115
Energy: 1.3094183339455432
Energy: 1.197920461861513
Energy: 1.1949738120533304
Energy: 1.199203701109294
Energy: 1.195027331242217
Energy: 1.197993045644136
Energy: 1.4519630669870136
Energy: 1.37346622602313
Energy: 1.3062597095696598
Energy: 1.2670351086349996
Energy: 1.276631244252279
Energy: 1.3733979743839053
Energy: 1.3332306793581565
Energy: 1.3732641568470891
Energy: 1.2168120558870168
Energy: 1.1920164580107138
Energy: 1.268951809917571
Energy: 1.2407786588233516
Energy: 1.2858660074971013
Energy: 1.2277848035226016
Energy: 1.3654882090805653
Energy: 1.309681043415675
Energy: 1.2279398770873475
Energy: 1.3086963712161652
Energy: 1.3236797655601653
Energy: 1.3398117343653926
Energy: 1.3237277774743297
Energy: 1.3263694479775516
Energy: 1.25244575291136
Energy: 1.3010240731586826
Energy: 1.3424780149833535
Energy: 1.128080166508759
Energy: 1.1283660539630407
Energy: 1.2444050071725632
Energy: 1.0749293755315579
Energy: 1.075536712325966
Energy: 1.2916561034553264
Energy: 1.1281113311772193
Energy: 1.1284226590721247
Energy: 1.2919510028667995
Energy: 1.0740090609478798
Energy: 1.0824546493991831
Energy: 1.2920373673451102
Energy: 1.3963383607466675
Energy: 1.2922567046929376
Energy: 1.2539321078103938
Energy: 1.2927709241531287
Energy: 1.2940708874728073
Energy: 1.292044801671275
Energy: 1.2681594433939734
Energy: 1.2677364268825275
Energy: 1.2941443399296424
Energy: 1.2674120948846903
Energy: 1.3008129056844586
Energy: 1.311983918974271
Energy: 1.4256131758983737
Energy: 1.3388590670832066
Energy: 1.3982513876716796
Energy: 1.3324660276135873
Energy: 1.3189658997462208
Energy: 1.2275921299341161
Energy: 1.401498051226638
Energy: 1.3997441184598969
Energy: 1.2288808258988595
Energy: 1.402109658471731
Energy: 1.4147345473895052
Energy: 1.3877202533357678
Energy: 1.3926088846092686
Energy: 1.3916457700764095
Energy: 1.376845295220439
Energy: 1.3927999166866372
Energy: 1.3912914031778625
Energy: 1.0620557097520773
Energy: 1.3752453964091278
Energy: 1.3675850521725605
Energy: 1.0734989014037835
Energy: 1.3754697499487492
Energy: 1.0639457456480144
Energy: 1.5592127994290386
Energy: 1.450002421378771
Energy: 1.0757061632716363
Energy: 1.073803279150345
Energy: 1.3756871423139665
Energy: 1.0758335034497675
Energy: 1.710775640357586
Energy: 1.375392156905525
Energy: 1.3756656859257939
Energy: 1.4062125536755234
Energy: 1.37570347961244
Energy: 1.3750972178249408
Energy: 1.4495035892419035
Energy: 1.3753028684734392
Energy: 1.3755908801689878
Energy: 1.2669326209551155
Energy: 1.3747762870511016
Energy: 1.3753211134557206
Energy: 1.4492267708504736
Energy: 1.2556925605880598
Energy: 1.2652728432877056
Energy: 1.2671054153111312
Energy: 1.4044964214270916
Energy: 1.272038324746973
Energy: 1.42104567099211
Energy: 1.2280644491706663
Energy: 1.315509199440387
Energy: 1.4234280280127167
Energy: 1.227771163292361
Energy: 1.4368534332827048
Energy: 1.304817388317617
Energy: 1.3136428858002742
Energy: 1.2981443285525098
Energy: 1.3468965437337033
Energy: 1.2981721285747112
Energy: 1.3458366711849872
Energy: 1.319209738426754
Energy: 1.2955061382277642
Energy: 1.2955533129203574
Energy: 1.320686829946753
Energy: 1.2442068805874895
Energy: 1.3199465206716647
Energy: 1.3041919024211537
Energy: 1.0757523768471096
Energy: 1.0767023437437844
Energy: 1.3010749942366193
Energy: 1.1283681635884948
Energy: 1.1294942599510358
Energy: 1.2993270438187046
Energy: 1.2851515947542373
Energy: 1.296896452303577
Energy: 1.2998751586009194
Energy: 1.1282964381713247
Energy: 1.2991460731711555
Energy: 1.2992142493343004
Energy: 1.2965394568026671
Energy: 1.296238323765489
Energy: 1.298851659749199
Energy: 1.4111493380578182
Energy: 1.2990280570780537
Energy: 1.5962505565484377
Energy: 1.267003199730985
Energy: 1.2671648581623178
Energy: 1.1515216958094716
Energy: 1.2671653344657963
Energy: 1.3739057652085027
Energy: 1.1887846098154533
Energy: 1.4053654575173273
Energy: 1.2017500590751822
Energy: 1.1811066903521055
Energy: 1.3216422513257102
Energy: 1.4214895732334958
Energy: 1.2266265137888979
Energy: 1.206352385959951
Energy: 1.186901995579654
Energy: 1.2276679512640718
Energy: 1.186273298134824
Energy: 1.18241345145569
Energy: 1.2767489114643404
Energy: 1.236227434775541
Energy: 1.203807064433612
Energy: 1.1992799040041728
Energy: 1.2359013025128498
Energy: 1.2348678767553956
Energy: 1.202265288227139
Energy: 1.1918004943811187
Energy: 1.062107138289979
Energy: 1.0740272738367203
Energy: 1.1621369495957061
Energy: 1.200761947497001

minimum gb energy = 1.0620557097520773 eV
minimum distance =  2.28018974791041 Angstroms
sigma value = 27


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

Energy: 1.3346476302078611
Energy: 1.3448769712599133
Energy: 1.342554929848854
Energy: 1.1859772166056142
Energy: 1.198348486865884
Energy: 1.3427559438676486
Energy: 1.0671947331574592
Energy: 1.1424198196750595
Energy: 1.1427246338842023
Energy: 1.0613177632670494
Energy: 1.1424517884489132
Energy: 1.094512566553324
Energy: 1.20372159476962
Energy: 1.1430028102649072
Energy: 1.143336720990312
Energy: 1.0588318895722137
Energy: 1.143964996320995
Energy: 1.0938463113100678
Energy: 1.0672429377796586
Energy: 1.1438241403225335
Energy: 1.0871441644221105
Energy: 1.0595604708756283
Energy: 1.143250924914298
Energy: 1.057163640547459
Energy: 1.3362720465167137
Energy: 0.9934918390815601
Energy: 1.0564064099196078
Energy: 1.1438406460311517
Energy: 0.993008640898662
Energy: 1.056803531818804
Energy: 1.1423000381112896
Energy: 0.9940730983175391
Energy: 0.994546865597821
Energy: 1.1423188268937319
Energy: 0.9937443069180409
Energy: 0.9945344418230668
Energy: 1.1439953685690205
Energy: 1.0572046736256875
Energy: 1.095168940882898
Energy: 1.1440756989721315
Energy: 1.0577379848494382
Energy: 1.1426701340860377
Energy: 1.142959863083806
Energy: 1.0525033691364594
Energy: 1.0525582747537658
Energy: 1.1429742519667079
Energy: 1.0529440630920723
Energy: 1.053493139222169
Energy: 1.2038520878915313
Energy: 1.0523969879811426
Energy: 1.0939593023748297
Energy: 1.1425586543116686
Energy: 1.0536331962887167
Energy: 1.0938550004549106
Energy: 1.2055111905111682
Energy: 1.0854054702418807
Energy: 1.0836757307541558
Energy: 1.0854595400257567
Energy: 1.0859383962482518
Energy: 1.0841920378557317
Energy: 1.2034685279932538
Energy: 1.0866852813904275
Energy: 1.0890499900567763
Energy: 1.0856167601965727
Energy: 1.1365889676836092
Energy: 1.0868997661751043
Energy: 1.3356453128327437
Energy: 1.0951411887140554
Energy: 1.0938472294530062
Energy: 1.0605790005925795
Energy: 1.0864022170318097
Energy: 1.0944675170434701

minimum gb energy = 0.993008640898662 eV
minimum distance =  2.32009888780844 Angstroms
sigma value = 9


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

Energy: 2.10858924129828
Energy: 1.1889136962373918
Energy: 1.2477610643232706
Energy: 1.1436719499949135
Energy: 1.1869920466674788
Energy: 1.2454866797904176
Energy: 1.4186441500555886
Energy: 0.9903047796702403
Energy: 0.9883788987619229
Energy: 0.9805777187614163
Energy: 0.9909080038269765
Energy: 0.9799837311593951
Energy: 1.028645592933659
Energy: 0.991462708750418
Energy: 0.9905689912797174
Energy: 1.0024246649364785
Energy: 0.9920547592461737
Energy: 0.9939717215438741
Energy: 1.0305566612951562
Energy: 0.9669604693675767
Energy: 0.9769508915456923
Energy: 0.9856965867525013
Energy: 0.9832779139540091
Energy: 0.9591005012730847
Energy: 1.4295795727669713
Energy: 0.9791426117208235
Energy: 0.9797655883673779
Energy: 1.0182924209728275
Energy: 1.0069476091423415
Energy: 1.0059597604535355
Energy: 1.0181052225324094
Energy: 0.8977479667508245
Energy: 0.9797808535198643
Energy: 1.018552960304686
Energy: 0.8974269915896773
Energy: 0.9835754390022521
Energy: 1.0195326590028204
Energy: 0.9667323182358891
Energy: 0.9665428374368781
Energy: 1.0197008492312256
Energy: 0.9659110291687696
Energy: 1.0181166033479019
Energy: 1.0186119671693947
Energy: 0.9540663621793565
Energy: 0.9673403163824684
Energy: 1.018643782133861
Energy: 0.9523505693582413
Energy: 1.0399343464580062
Energy: 1.4523834772285296
Energy: 1.0019157259661573
Energy: 1.0292136500382076
Energy: 1.0144149141116947
Energy: 1.0144059759417137
Energy: 1.0489673165309976
Energy: 0.9524300912401312
Energy: 1.0016641884184285
Energy: 1.000127497397719
Energy: 0.9724320578772371
Energy: 1.0129302201177062
Energy: 0.9473823253717378
Energy: 0.9523726199920172
Energy: 1.0187325029524432
Energy: 1.0440025272588547
Energy: 1.0026149907717246
Energy: 1.0186357323005355
Energy: 0.9940307878017061
Energy: 1.4359977574182086
Energy: 1.0187499639818078
Energy: 1.0184333580893488
Energy: 0.9833017015599768
Energy: 1.018758927214569
Energy: 1.0061342073689357
Energy: 1.035300171078972
Energy: 1.0417584488797778
Energy: 1.225881843649309
Energy: 0.9730075627562969
Energy: 1.1489818080766059
Energy: 1.0035686082766087
Energy: 1.4362826511399063
Energy: 1.0182123241742618
Energy: 1.0020312266898312
Energy: 0.9831251429731201
Energy: 1.018409001757269
Energy: 1.0074583574613973
Energy: 0.9898813891430983
Energy: 0.9964326106633582
Energy: 0.9981088897103915
Energy: 0.9895828223738785
Energy: 0.9966888327113022
Energy: 0.9701065649061241
Energy: 0.990536498853638
Energy: 0.9567160646403677
Energy: 0.9751853936126182
Energy: 0.9915878485700917
Energy: 1.0080212353826477
Energy: 1.0085646416634308
Energy: 0.9901971342927006
Energy: 0.9641639981226665
Energy: 0.9648654718501791
Energy: 0.9904405961598965
Energy: 0.9814728017280395
Energy: 0.979386094403293
Energy: 1.1859998027403023
Energy: 0.9677220442660492
Energy: 0.9659419149149447
Energy: 0.9897877819034478
Energy: 0.9708536497349876
Energy: 0.9904127165129768
Energy: 1.029805013913049
Energy: 0.9814774630007383
Energy: 0.961334954700743
Energy: 0.9900380881342418
Energy: 0.9801887299661507
Energy: 0.9908617442226441
Energy: 1.0300878340180186
Energy: 0.9803969581530225
Energy: 0.9592349072781042
Energy: 0.9788391292214949
Energy: 0.9786839081793857
Energy: 0.9391960692684433
Energy: 1.0291059606435804
Energy: 0.9810470864331322
Energy: 0.9674902143030741
Energy: 0.9766723942962029
Energy: 0.9806934434359252
Energy: 0.9377076667353905
Energy: 1.4535647737142074
Energy: 0.9906881262331744
Energy: 1.0191644549489849
Energy: 1.0084238606629221
Energy: 0.9901423740511884
Energy: 0.9867524848735665
Energy: 1.4544383330875537
Energy: 0.9903105284462869
Energy: 0.9728014663466539
Energy: 1.0083506534127067
Energy: 0.9909213160702305
Energy: 0.944492305546459
Energy: 1.0286843303659545
Energy: 0.9912832047405596
Energy: 0.9910176869969725
Energy: 1.0141318447529097
Energy: 0.9920738500695181
Energy: 0.9961632787923009
Energy: 1.3474548989893473
Energy: 0.9662522311890132
Energy: 0.9687108498431948
Energy: 0.9574011726485206
Energy: 0.9900469836688308
Energy: 1.0201574381921694
Energy: 1.2773465864451963
Energy: 0.9838962245931041
Energy: 1.0081245273261272
Energy: 1.0208639621465134
Energy: 0.983844366153517
Energy: 1.00556377087545
Energy: 1.1769348417598524
Energy: 0.9800798721213824
Energy: 1.0027021522463628
Energy: 1.2093497304505756
Energy: 0.8983145665387368
Energy: 0.9444279151224013
Energy: 1.0185935618027269
Energy: 0.9664088966444833
Energy: 0.9660738137924229
Energy: 1.018968280606772
Energy: 0.9838965819620211
Energy: 1.0187562715111467
Energy: 1.019068359710331
Energy: 0.9661328271954567
Energy: 0.9676213530467007
Energy: 1.0191797007044217
Energy: 1.00851116083315
Energy: 1.0486807487168701
Energy: 1.2988994735132358
Energy: 0.9540284719182645
Energy: 0.9669482142233989
Energy: 1.0022646118010767
Energy: 0.952463035570047
Energy: 0.9862898148373715
Energy: 0.9524250686524274
Energy: 1.0030275847011043
Energy: 1.0396916585257667
Energy: 1.0023992137336315
Energy: 1.0132272842382157
Energy: 0.9888189692829289
Energy: 0.9616665362654137
Energy: 1.01786757127887
Energy: 1.0375636607047543
Energy: 0.9710315895540249
Energy: 1.0176748452304563
Energy: 0.9467385846982818
Energy: 1.4375629328583521
Energy: 1.019181149989661
Energy: 1.018377961306685
Energy: 0.9687611469936384
Energy: 1.019294752390498
Energy: 0.9676443255403049
Energy: 1.2364023282865138
Energy: 1.0183167761787941
Energy: 1.0197424332608311
Energy: 1.0038567282720219
Energy: 1.0180497227702057
Energy: 0.9654763692886941
Energy: 1.2333484008216224
Energy: 1.0184595145535378
Energy: 1.0017891583362892
Energy: 1.0084265625556301
Energy: 1.018357404597466
Energy: 1.002106782822721
Energy: 1.0365284206028864
Energy: 0.9908460100894529
Energy: 0.9835670450510069
Energy: 1.0108467889484918
Energy: 0.994801257967658
Energy: 0.9835443248889566
Energy: 0.9906934768598035
Energy: 0.9831534825603752
Energy: 0.9653775459779413
Energy: 0.992105591831968
Energy: 1.0027989155015264
Energy: 0.9842305853446622
Energy: 0.9906817517203055
Energy: 0.9787861487605901
Energy: 0.9810920274141594
Energy: 0.9904623715217679
Energy: 0.981791685124426
Energy: 0.965874583522763
Energy: 0.9902851842663086
Energy: 0.9667878936517231
Energy: 0.9875284337923509
Energy: 0.9894850966899632
Energy: 0.9725846152952808
Energy: 0.956135865687244
Energy: 1.0283003149910626
Energy: 0.9805850632785682
Energy: 0.9821933252912581
Energy: 0.9904352347298342
Energy: 0.9795111652757781
Energy: 0.9609275537340759
Energy: 1.0268921608664228
Energy: 0.9572486624066155
Energy: 0.9553754467216393
Energy: 0.9793505423832499
Energy: 0.9816663669856953
Energy: 0.9560831420898773
Energy: 1.0295849924672225
Energy: 0.9811266539257713
Energy: 0.9848636239359211
Energy: 1.0013723774920786
Energy: 0.9796365272398022
Energy: 0.9647530391629868
Energy: 1.4540302105226703
Energy: 0.9905759704328894
Energy: 0.9717537800349821
Energy: 1.0082724400644743
Energy: 0.9911863142075258
Energy: 0.9450361417868103

minimum gb energy = 0.8974269915896773 eV
minimum distance =  2.31054754515444 Angstroms
sigma value = 57


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

Energy: 0.49354866255059954
Energy: 0.5190425053014551
Energy: 0.49547159278683617
Energy: 0.49645090983914186
Energy: 0.5545552171688207
Energy: 0.4955132843066612
Energy: 0.49426173468428475
Energy: 0.5262765626433455
Energy: 0.5270314890741911
Energy: 0.5552176289939852
Energy: 0.5193225762438356
Energy: 0.5380053436530021
Energy: 0.6181223462920634
Energy: 0.5258651318439432
Energy: 0.5251668422781729
Energy: 0.5573185677437538
Energy: 0.5576322557639956
Energy: 0.5270032650220439
Energy: 0.6186642027746118
Energy: 0.5195380338401562
Energy: 0.5247170792200728
Energy: 0.5623455042087115
Energy: 0.5591779252898254
Energy: 0.5273710136271852
Energy: 0.6132719108848916
Energy: 0.5284315765261546
Energy: 0.49659354698761243
Energy: 0.5580686746652739
Energy: 0.495941402221214
Energy: 0.5419868392776456
Energy: 0.5557352256887603
Energy: 0.4971293574157842
Energy: 0.4988386709240242
Energy: 0.5581768890706608
Energy: 0.494909642286795
Energy: 0.5275021658591382
Energy: 0.5499059277042002
Energy: 0.5234372196981665
Energy: 0.5278923314949022
Energy: 0.5533582089347256
Energy: 0.5194090556658887
Energy: 0.5416166868474296
Energy: 0.556610013241056
Energy: 0.5306315371003782
Energy: 0.5242657960615837
Energy: 0.5572669840940313
Energy: 0.5231242447418812
Energy: 0.5266233074897083
Energy: 0.6127989366804298
Energy: 0.5426641427207932
Energy: 0.5432784444903306
Energy: 0.5562184707484349
Energy: 0.5603629333037016
Energy: 0.5257145130760404
Energy: 0.4940209437951817
Energy: 0.5292934723664142
Energy: 0.49679332429959155
Energy: 0.4944860157809658
Energy: 0.5574924444649207
Energy: 0.5275237479115115
Energy: 0.49409717295446176
Energy: 0.5228189047676935
Energy: 0.5419445064997742
Energy: 0.49474216849846436
Energy: 0.5206180748496461
Energy: 0.4976815299034807
Energy: 0.615222584346446
Energy: 0.5650849114078561
Energy: 0.5386269340616141
Energy: 0.5194892148512671
Energy: 0.5562578351810814
Energy: 0.5384728302391355
Energy: 0.6189430281680766
Energy: 0.6145024935783944
Energy: 0.6155177483969814
Energy: 0.5282095291291656
Energy: 0.6197474691491158
Energy: 0.585983325875464
Energy: 0.613722357491183
Energy: 0.5660097117004718
Energy: 0.5400773701492005
Energy: 0.523335542970713
Energy: 0.5571294172521937
Energy: 0.539717129906197
Energy: 0.5185589352155419
Energy: 0.4954858130500963
Energy: 0.49604880004688173
Energy: 0.5189595191644293
Energy: 0.499977884703864
Energy: 0.49561765608307995
Energy: 0.5528975502416001
Energy: 0.538228924753443
Energy: 0.5389511181788795
Energy: 0.5170417256253519
Energy: 0.4971285600999346
Energy: 0.5506251550515449
Energy: 0.5552851572990326
Energy: 0.5076195361179855
Energy: 0.5415845713223207
Energy: 0.5561648663948835
Energy: 0.5678869304076543
Energy: 0.5258953781779898
Energy: 0.6167665144289471
Energy: 0.5231193633734144
Energy: 0.5415397878033019
Energy: 0.5631646450234739
Energy: 0.5238093204307626
Energy: 0.5259855950494553
Energy: 0.4942315607205714
Energy: 0.5228729790792314
Energy: 0.5258592132769929
Energy: 0.49501078375154284
Energy: 0.5206362353431191
Energy: 0.542555463915173

minimum gb energy = 0.49354866255059954 eV
minimum distance =  2.35431008029142 Angstroms
sigma value = 11


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

Energy: 1.5217962595766708
Energy: 0.8546972183760222
Energy: 0.8679735559683527
Energy: 1.1288482487062634
Energy: 0.8908779539377184
Energy: 0.8689216476295899
Energy: 0.8685242858175041
Energy: 0.8557669246424441
Energy: 0.8467798713067411
Energy: 0.8433852559812389
Energy: 0.8545493738326501
Energy: 0.8492605222251687
Energy: 0.8380113745235566
Energy: 0.8459055323740866
Energy: 0.8485200877186112
Energy: 0.8411931336294785
Energy: 0.8447241613924062
Energy: 0.838262085937603
Energy: 0.8394640951202013
Energy: 0.8583191940064242
Energy: 0.8622124846081404
Energy: 0.8420024081984194
Energy: 0.8474616843154358
Energy: 0.8471044775360007
Energy: 0.8388703053370729
Energy: 0.935881623793287
Energy: 0.8964620402617988
Energy: 0.8558371059919709
Energy: 0.8614590529688888
Energy: 0.8470462082754894
Energy: 1.1259875199093372
Energy: 0.9031194606023879
Energy: 0.8996227557575839
Energy: 0.8424273018831817
Energy: 0.8572200539467597
Energy: 0.8859688358392264
Energy: 1.067559937806779
Energy: 0.8428940045675609
Energy: 0.845446286438451
Energy: 0.8411635829673257
Energy: 0.8409942726299933
Energy: 0.8386359102767292
Energy: 0.8607137570043827
Energy: 0.9301153151532732
Energy: 0.9316673301766418
Energy: 0.8748171269521703
Energy: 0.9279907265057343
Energy: 0.928934563344408
Energy: 1.1240322474916686
Energy: 0.8850605930575901
Energy: 0.9012487087722841
Energy: 0.8541134065285271
Energy: 0.8487637753908426
Energy: 0.8993390009935464
Energy: 1.404164646152742
Energy: 0.8827694322277592
Energy: 0.8864613819439159
Energy: 0.9245801727994055
Energy: 0.8812039440708611
Energy: 0.8998171054783081
Energy: 1.496657217958253
Energy: 0.8809838951063099
Energy: 0.8846080112810545
Energy: 0.9116944592240239
Energy: 0.8814778072662425
Energy: 0.8959576679741516
Energy: 1.240541945626532
Energy: 0.8236776785858783
Energy: 0.8375040638315433
Energy: 0.9379462476989564
Energy: 0.8162354150401022
Energy: 0.8590919881981612
Energy: 1.0524186681011203
Energy: 0.8135744058840768
Energy: 0.8128061137550457
Energy: 0.9964163169939997
Energy: 0.8170232184197642
Energy: 0.8617970289967788
Energy: 1.0499822850058236
Energy: 0.9373576626311828
Energy: 0.9371846540716948
Energy: 0.8956982062348563
Energy: 0.9401934064759637
Energy: 0.9365341805102062
Energy: 1.1040223081417577
Energy: 1.0792074276625367
Energy: 1.016901241199961
Energy: 1.2703443948880067
Energy: 1.0468954060296958
Energy: 0.8995919110057321
Energy: 1.4412822672232801
Energy: 0.9395560997698867
Energy: 0.9374736185397726
Energy: 0.8949871403386203
Energy: 0.9441645760630898
Energy: 0.9380720422229116
Energy: 1.299150254112651
Energy: 0.8981174723966239
Energy: 0.8563294981161214
Energy: 0.9921738891744564
Energy: 0.9159819717121568
Energy: 0.8635930022086385
Energy: 1.484787369187839
Energy: 0.89478420113133
Energy: 0.9412629057056315
Energy: 0.937787734028019
Energy: 0.8944307508687618
Energy: 0.9385190730414233
Energy: 1.379924662135753
Energy: 0.8562929295014423
Energy: 0.9065775141538465
Energy: 0.8836751586737203
Energy: 0.8555200334019172
Energy: 0.9016173837906359
Energy: 1.0930783409562528
Energy: 0.9445327055147926
Energy: 0.9490835169364545
Energy: 0.8446601432836256
Energy: 1.2284213661197467
Energy: 0.8622896391958582
Energy: 1.4384079173917754
Energy: 0.9419267604673105
Energy: 0.8900100159115122
Energy: 0.8960895139859689
Energy: 0.9409876706342892
Energy: 0.8860296546357832
Energy: 0.9939755041583026
Energy: 0.8709103579125826
Energy: 0.8709014049277577
Energy: 1.352263453883994
Energy: 1.0975132620577748
Energy: 0.9404784518124766
Energy: 0.9238051900661233
Energy: 0.8829118509392844
Energy: 0.896722774705758
Energy: 0.8830227729555871
Energy: 0.9012890001890321
Energy: 0.8851647020461242
Energy: 0.9255165363942178
Energy: 0.8458961906479571
Energy: 0.8385194817964735
Energy: 0.9275366983884807
Energy: 0.84144368416562
Energy: 0.8463671878682117
Energy: 0.9556296266079448
Energy: 0.8428875356270223
Energy: 0.8376048768877836
Energy: 0.9551911940994476
Energy: 0.8417097785936193
Energy: 0.8474870616813073
Energy: 1.498479945863693
Energy: 0.8443296413388371
Energy: 0.8478090864308676
Energy: 0.8468693459133355
Energy: 0.8413264866000904
Energy: 0.8116085314833024

minimum gb energy = 0.8116085314833024 eV
minimum distance =  2.31089311644416 Angstroms
sigma value = 41


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

Energy: 1.6544287491269654
Energy: 0.9231279566250149
Energy: 0.9978462444914785
Energy: 1.2422251197622651
Energy: 1.167369168554619
Energy: 1.2427371458243095
Energy: 0.9540451077789143
Energy: 0.9193118100883035
Energy: 0.9113084681380332
Energy: 0.9173688022439643
Energy: 0.9127054588258634
Energy: 0.9106557937878919
Energy: 0.9158230341478465
Energy: 0.9122113060364889
Energy: 0.9111955842801615
Energy: 0.9192587355875861
Energy: 0.9176450666424821
Energy: 0.910642005166515
Energy: 0.9164173273666429
Energy: 0.9178224497368382
Energy: 0.9105362932611184
Energy: 0.9196674588185136
Energy: 0.9111367817313248
Energy: 0.9145292419307731
Energy: 0.9165464690033965
Energy: 0.9111444556210587
Energy: 0.913986782660627
Energy: 0.9437836440595917
Energy: 0.9431797386944784
Energy: 0.9189245651748327
Energy: 1.2961021275953657
Energy: 0.9121969310462676
Energy: 0.9107527675988123
Energy: 0.9459343955794564
Energy: 0.9195467566943886
Energy: 0.9190091463806205
Energy: 1.284607904136079
Energy: 0.9179421576169795
Energy: 0.9148185632053287
Energy: 0.9456288200442552
Energy: 0.9172047078009213
Energy: 0.9127294570961737
Energy: 0.9517770554160291
Energy: 1.0604915842359484
Energy: 0.951909862945644
Energy: 0.8756100009305402
Energy: 1.0598029156271571
Energy: 0.8863894769982583
Energy: 1.2947517485152191
Energy: 0.9152101717628031
Energy: 0.9116703237891883
Energy: 0.9420032457278757
Energy: 0.9195200934842177
Energy: 0.9113251348505812
Energy: 1.2840877283433378
Energy: 0.9181162476190362
Energy: 0.9099390482027394
Energy: 0.9208494086880128
Energy: 0.9238482815162091
Energy: 0.9108160964618146
Energy: 1.2870483073531525
Energy: 0.9180743762195164
Energy: 0.9094406713501143
Energy: 0.9209259167225321
Energy: 0.9168471289773517
Energy: 0.91060169151167
Energy: 1.4845909029339013
Energy: 0.8753792905035397
Energy: 0.8753054644093319
Energy: 0.9425880505506047
Energy: 0.8750752399721382
Energy: 0.9240011714315364
Energy: 1.0200198576527808
Energy: 0.8751526626334015
Energy: 0.8753073265831358
Energy: 0.9600338243909992
Energy: 0.8750422740015902
Energy: 0.8769563454804322
Energy: 1.0155100705277804
Energy: 0.9122767667699403
Energy: 0.911803125424077
Energy: 1.0190902618886932
Energy: 0.941688884153839
Energy: 0.9116770074620167
Energy: 1.0605801655260183
Energy: 1.0385171992499092
Energy: 1.0620197532861273
Energy: 1.0615528128465193
Energy: 1.095865799043861
Energy: 1.0621051813566897
Energy: 0.9149774384930671
Energy: 0.917138996372864
Energy: 0.9118468503441697
Energy: 0.9176443117465725
Energy: 0.9421449891139033
Energy: 0.9117320352371169
Energy: 1.613203020514006
Energy: 0.9199411475357948
Energy: 0.8744261279366469
Energy: 0.9761692642578472
Energy: 0.9190012455124017
Energy: 1.0651061752984607
Energy: 0.9537358946049407
Energy: 0.9193472556716725
Energy: 0.9204440015909393
Energy: 0.8744305926979745
Energy: 0.9191057122208973
Energy: 0.876198219234605
Energy: 0.9157296305743
Energy: 0.9173418935844261
Energy: 0.9167581307964976
Energy: 0.9181633234441083
Energy: 0.9185545181456815
Energy: 0.9111992551937815
Energy: 0.9157115756322951
Energy: 0.9109901590893289
Energy: 0.9099450912663268
Energy: 0.9181881532371623
Energy: 0.9174839008011876
Energy: 0.9114490638283381
Energy: 0.9153506984784551
Energy: 0.9137129427668099
Energy: 0.9109579658422781
Energy: 0.9433334988902685
Energy: 0.9191652658334115
Energy: 0.9110292556826729
Energy: 1.4464935468048552
Energy: 1.1023699967402711
Energy: 1.1342229351769317
Energy: 1.1465050827003498
Energy: 1.1017667166823908
Energy: 1.1339751405343719
Energy: 1.295032031863917
Energy: 0.9147578308377189
Energy: 0.9123145161013909
Energy: 0.9432925222887256
Energy: 0.9191981279235752
Energy: 0.9111016127061887
Energy: 0.9515177573415672
Energy: 1.0382212000092632
Energy: 0.9314973002420202
Energy: 0.8771410408907795
Energy: 1.0631894013077499
Energy: 0.8804896542004231
Energy: 1.2846312703282619
Energy: 0.9173620805461242
Energy: 0.9224117734331487
Energy: 0.9423916818465397
Energy: 0.9177724575558003
Energy: 0.9143185775915263
Energy: 1.2844840167240388
Energy: 0.9178020626394778
Energy: 0.9098725514665323
Energy: 0.9233316373855828
Energy: 0.9172476491888465
Energy: 0.9096957931914491
Energy: 1.2841700758387269
Energy: 0.9178590290272788
Energy: 0.9101638422978514
Energy: 0.9204274253795376
Energy: 0.9335096796464929
Energy: 0.9120060422854772
Energy: 1.294944835803327
Energy: 0.9379575489425862
Energy: 0.9099730961644678
Energy: 0.9421907374619355
Energy: 0.9096541476865531
Energy: 0.9116019320606604
Energy: 1.0190656459638938
Energy: 0.9776168047834006
Energy: 0.9748830866699666
Energy: 1.0196176971542206
Energy: 0.8767892335933746
Energy: 0.9665551514478788
Energy: 1.0156851294149933
Energy: 0.9185817541373564
Energy: 0.9120414338152603
Energy: 1.0187921270730116
Energy: 0.9203081455995469
Energy: 0.912313292676448
Energy: 1.0193474921376513
Energy: 0.9108628449451278
Energy: 0.9124265146007091
Energy: 1.0193915131717945
Energy: 0.9177920784877985
Energy: 0.9176970783167633
Energy: 0.9147619836275711
Energy: 0.9138977703353269
Energy: 0.9175429530733675
Energy: 0.9431447215021728
Energy: 0.9175550015975186
Energy: 0.9148222693938491
Energy: 1.6160854848395472
Energy: 0.9195932167001194
Energy: 0.874523889728238
Energy: 0.8813254917894109
Energy: 0.9190177500461769
Energy: 0.9346074764766851

minimum gb energy = 0.8744261279366469 eV
minimum distance =  2.3184315763272 Angstroms
sigma value = 33


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

Energy: 1.3055548546036992
Energy: 1.1242844365567022
Energy: 1.016337790276202
Energy: 0.9618712745401007
Energy: 1.0278929353837578
Energy: 1.0940417714156054
Energy: 1.4185037839808596
Energy: 0.9910568946239453
Energy: 0.9915791408261305
Energy: 0.9705350827034379
Energy: 0.9909246900427158
Energy: 1.0140586059126269
Energy: 1.0786065691357662
Energy: 1.0600294108878388
Energy: 0.9906384115721916
Energy: 1.0652216600342395
Energy: 0.992899002827656
Energy: 1.0660334805393548
Energy: 1.0810172826900273
Energy: 0.9901107477696451
Energy: 0.9913268166225309
Energy: 1.0993833484419318
Energy: 0.9907215643995917
Energy: 1.049791070598654
Energy: 1.0793920127308905
Energy: 1.020118225370647
Energy: 1.075949876478129
Energy: 1.1293638603638356
Energy: 1.0414578682842532
Energy: 0.9656887520580438
Energy: 1.1363257164968854
Energy: 1.0013301204997986
Energy: 1.000637232658194
Energy: 1.1424210788753828
Energy: 1.0245605251773187
Energy: 0.9957305799142905
Energy: 1.436131158964279
Energy: 1.0932315545817834
Energy: 1.0687024366650806
Energy: 1.1110321641953909
Energy: 1.0841963064172
Energy: 1.0686966001519365
Energy: 1.1113376927002159
Energy: 1.1108323622380636
Energy: 1.0180614016122245
Energy: 0.9904779691768192
Energy: 1.0812073330749363
Energy: 1.017318983139846
Energy: 1.1479495976690044
Energy: 1.0697360932536453
Energy: 1.0595780165007431
Energy: 1.0607904924914229
Energy: 1.04700455473365
Energy: 1.055826077735405
Energy: 1.5628339907427073
Energy: 1.0489904115460518
Energy: 1.0469596736331666
Energy: 1.067171332106663
Energy: 1.0492965172637154
Energy: 1.04675971347291
Energy: 1.562397715235018
Energy: 1.043132175550735
Energy: 1.0612790767618212
Energy: 1.0603386950972173
Energy: 1.0420048875429533
Energy: 1.0570129631674012
Energy: 1.147201335210815
Energy: 0.9422601486993768
Energy: 0.9423769553682998
Energy: 1.0524078008413151
Energy: 0.949534361767991
Energy: 0.9425389975255007
Energy: 1.0987852170169816
Energy: 0.9426059672239077
Energy: 0.9425488574979903
Energy: 1.0560844435463839
Energy: 0.9522894153130552
Energy: 0.9431647874134749
Energy: 1.0947774821255785
Energy: 1.0611698490253272
Energy: 1.0597990929286658
Energy: 1.0609838247639034
Energy: 1.0613438710592604
Energy: 1.0573688680403106
Energy: 1.0077408863544635
Energy: 1.069378741229477
Energy: 1.069392694121766
Energy: 1.0713089573937706
Energy: 1.0691902671088047
Energy: 1.0803090724272164
Energy: 1.097174194774268
Energy: 1.0712518560104871
Energy: 1.0723310743524825
Energy: 1.0535387569470887
Energy: 1.1016171735092548
Energy: 1.0546827441265119
Energy: 1.526775276498016
Energy: 1.1025665477982898
Energy: 0.9953948434456295
Energy: 1.0248377441462078
Energy: 1.10812823076552
Energy: 0.9945077838965749
Energy: 1.5328820853902754
Energy: 1.05719043908078
Energy: 1.056634809578561
Energy: 1.0535638952389057
Energy: 1.1408058467785709
Energy: 1.0563787257965032
Energy: 1.165865520667588
Energy: 1.0119092234926523
Energy: 0.9898026580623382
Energy: 1.0982687444397266
Energy: 0.9935308406436695
Energy: 1.070245139075854
Energy: 1.0520516638571984
Energy: 0.9926793963815609
Energy: 0.989714101663894
Energy: 1.0473466461640548
Energy: 0.9932470486637613
Energy: 1.0788236017884174
Energy: 1.0465447881841137
Energy: 1.0697675423459885
Energy: 1.0502540143523391
Energy: 1.048690582200195
Energy: 1.0597279064450145
Energy: 1.0507794507545183
Energy: 1.0764943383801624
Energy: 1.0518208580390105
Energy: 1.0523322562278172
Energy: 1.076577414576309
Energy: 1.0516180958350045
Energy: 1.0572491246740252
Energy: 1.5196636492171263
Energy: 1.0522536054893659
Energy: 1.0513510711751284
Energy: 1.0385417646283897
Energy: 1.0589450003897667
Energy: 1.042281258354643
Energy: 1.0527163308031164
Energy: 1.1200760484553127
Energy: 0.9443431439469048
Energy: 0.9433590278499161
Energy: 1.0972617697320801
Energy: 0.9461199442824274
Energy: 1.879790793963782
Energy: 1.0558482679299117
Energy: 1.05170678807858
Energy: 0.9479708787328933
Energy: 1.0552276340300792
Energy: 1.0528492005222077
Energy: 1.104439758699256
Energy: 1.0708418292526798
Energy: 1.0600667616691735
Energy: 1.0715826565645543
Energy: 1.076264619953408
Energy: 1.062147103995033
Energy: 1.099807967697896
Energy: 1.0583383140122042
Energy: 1.0726047717903
Energy: 1.0712261542634547
Energy: 1.0649600327965856
Energy: 1.0711207609489648
Energy: 1.1022056024190305
Energy: 1.0819887391798177
Energy: 1.0862211448950347
Energy: 1.1087913301717296
Energy: 1.023966031228807
Energy: 1.0859553051445305
Energy: 1.3215411838247562
Energy: 1.0002871665357744
Energy: 1.0002637130130787
Energy: 1.1946922611620838
Energy: 1.0384802383675806
Energy: 0.9997587864505608
Energy: 1.222264690391727
Energy: 1.0785794496718935
Energy: 1.0819379403544263
Energy: 1.1386167624654717
Energy: 1.0764068664020447
Energy: 1.0884909862384626
Energy: 1.1109428751310217
Energy: 1.1934828425886808
Energy: 1.003954239641575
Energy: 0.990314762216044
Energy: 1.2874637252842214
Energy: 1.0042116232821119
Energy: 1.2421047845561488
Energy: 1.0516358826993712
Energy: 1.0502227901624004
Energy: 1.094680749888208
Energy: 1.0513404143214231
Energy: 1.0493835739230706
Energy: 1.5630642471007297
Energy: 1.050921402315012
Energy: 1.0469085227306736
Energy: 1.0753980196434596
Energy: 1.0493329799379643
Energy: 1.0727085294383143
Energy: 1.563180896331662
Energy: 1.0441436095998275
Energy: 1.0609409860442438
Energy: 1.0707461823744249
Energy: 1.0567986662141948
Energy: 1.0584800000362866
Energy: 1.1515334075176011
Energy: 0.9425790581512281
Energy: 0.9432763839404127
Energy: 1.0621445790055297
Energy: 0.9489405595607372
Energy: 1.0369704901013614
Energy: 1.0998502009800637
Energy: 0.9424749270078205
Energy: 0.9438443313725365
Energy: 1.062884254980865
Energy: 0.9435089901613805
Energy: 0.9430976662209434
Energy: 1.0941891067247498
Energy: 1.051630004981964
Energy: 1.050304712171662
Energy: 1.0787075829728068
Energy: 1.075294367098621
Energy: 1.0492445301157496
Energy: 1.0191148571150854
Energy: 1.0720687707390162
Energy: 1.0713299137298513
Energy: 1.0213953960871016
Energy: 1.0679033856716105
Energy: 1.0835532278704494
Energy: 1.0949956154652194
Energy: 1.0891621509364824
Energy: 1.0676645790243886
Energy: 1.05932457795526
Energy: 1.0935504345436136
Energy: 1.0569815304239043
Energy: 1.5276688551890871
Energy: 1.1212853088645072
Energy: 1.0530689102252229
Energy: 1.0205325977810604
Energy: 1.099934115133672
Energy: 0.9951628972748314
Energy: 1.527271827845953
Energy: 1.0550561525867983
Energy: 0.9715379868590697
Energy: 1.0221617829075884
Energy: 1.0725977152995558
Energy: 1.0561345635829713
Energy: 1.0825027505484512
Energy: 0.9918472460383194
Energy: 0.9898977559445058
Energy: 1.0833537434344218
Energy: 0.9945801897168087
Energy: 1.0671323642992117
Energy: 1.028812962526945
Energy: 0.9916774674147225
Energy: 0.9908054410076848
Energy: 1.0077808496864613
Energy: 0.9918297926245605
Energy: 0.991293288389908
Energy: 1.0249466963408769
Energy: 1.0243875558561009
Energy: 0.9723484286327242
Energy: 1.0429647764507934
Energy: 0.9662427334378827
Energy: 0.9710938718335226
Energy: 1.0529093070139592
Energy: 1.044817697658203
Energy: 1.0705199520795434
Energy: 1.0701504146385052
Energy: 0.9732598172241185
Energy: 1.0867554584114774
Energy: 1.0789594272935044
Energy: 0.9884204372879186
Energy: 0.989897269803802
Energy: 0.9681704759186127
Energy: 0.9936656772697965
Energy: 0.9915074157742171
Energy: 1.8186731342521958
Energy: 0.9952053282118288
Energy: 0.9645611640845565
Energy: 0.9546848771778225
Energy: 0.9931897208966145
Energy: 0.9890004154999867

minimum gb energy = 0.9422601486993768 eV
minimum distance =  2.25012804704096 Angstroms
sigma value = 67


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

Energy: 1.463246509978317
Energy: 1.0271741647327508
Energy: 1.0269371427553668
Energy: 1.0348736785992942
Energy: 1.0850385185120752
Energy: 1.0261221804973026
Energy: 1.1499330662650784
Energy: 1.036665367573336
Energy: 1.0363077552484863
Energy: 1.0356470047886004
Energy: 1.0379514656834992
Energy: 1.0357583965988224
Energy: 1.083085379256528
Energy: 0.9967142228797646
Energy: 1.0378995820337147
Energy: 1.037457401614762
Energy: 0.9957549984942734
Energy: 1.038113575451554
Energy: 1.0826074727061579
Energy: 1.0344913099709132
Energy: 1.0342496628988198
Energy: 1.0362654807326728
Energy: 1.0346264668935197
Energy: 1.0337868106251376
Energy: 1.0740278560883583
Energy: 1.0375849845414848
Energy: 1.0378963129093117
Energy: 1.0751072812217708
Energy: 1.0376820570468206
Energy: 1.038569306148743
Energy: 1.0768173746512932
Energy: 1.0399590935509087
Energy: 1.041030475737948
Energy: 1.0778933407330362
Energy: 1.0393136432839039
Energy: 1.0413147881264218
Energy: 1.1496955156238609
Energy: 1.0371546199536958
Energy: 1.0370613278080314
Energy: 0.9970522956259691
Energy: 1.0376348846368204
Energy: 1.0362147635033636

minimum gb energy = 0.9957549984942734 eV
minimum distance =  2.34850616549729 Angstroms
sigma value = 3


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

Energy: 1.587779916898141
Energy: 1.2987315990757247
Energy: 1.2242177453437773
Energy: 1.2019186094204415
Energy: 1.7829190538269801
Energy: 1.2186646491822943
Energy: 1.1587697074552035
Energy: 1.1724419153343135
Energy: 1.170714547910028
Energy: 1.1825703042264113
Energy: 1.19970660400649
Energy: 1.1712379043069197
Energy: 1.2255682350315944
Energy: 1.1578968816822546
Energy: 1.1583529931888854
Energy: 1.2304745570781752
Energy: 1.1581626191713057
Energy: 1.171103442654532
Energy: 1.1743355603311398
Energy: 1.1635201338770063
Energy: 1.1634931573547378
Energy: 1.175682135249074
Energy: 1.154098587803726
Energy: 1.167455573773739
Energy: 1.1518948644063323
Energy: 1.1594830252826365
Energy: 1.16083917120356
Energy: 1.1537178884238208
Energy: 1.162622998939949
Energy: 1.1619005066288337
Energy: 1.142680525623238
Energy: 1.1621279522829036
Energy: 1.1622198388244585
Energy: 1.1548573824963888
Energy: 1.1615496077617056
Energy: 1.1610722464684702
Energy: 1.1440219007757875
Energy: 1.1826408834788067
Energy: 1.187857791995069
Energy: 1.1595926176510276
Energy: 1.196077185763975
Energy: 1.1803988030827535
Energy: 1.3800453687904086
Energy: 1.295684118967963
Energy: 1.2022023451815924
Energy: 1.179535004877344
Energy: 1.1906568359173018
Energy: 1.1777943439170875
Energy: 1.2678490282597412
Energy: 1.203931458214289
Energy: 1.1879648213749239
Energy: 1.2271620678030013
Energy: 1.1968501605027086
Energy: 1.1819443336448527
Energy: 1.2967715874850667
Energy: 1.1752821755601728
Energy: 1.1803731241885396
Energy: 1.330994197217011
Energy: 1.179281671970461
Energy: 1.1554380547412415
Energy: 1.2300298642230727
Energy: 1.1809543226647183
Energy: 1.1776190145559762
Energy: 1.2205603284706086
Energy: 1.1850324130669052
Energy: 1.1810192809548867
Energy: 1.2251493753595122
Energy: 1.174494583765541
Energy: 1.1783586022150132
Energy: 1.1671387205522477
Energy: 1.1483664362162724
Energy: 1.1635360155390801
Energy: 1.1991131659356156
Energy: 1.162775499423625
Energy: 1.1630465024564216
Energy: 1.160363436758495
Energy: 1.143632951068149
Energy: 1.1626958392175093
Energy: 1.2240071334703677
Energy: 1.1729889717316815
Energy: 1.173734119488322
Energy: 1.177686254384644
Energy: 1.1767432606096253
Energy: 1.161285014064486
Energy: 1.2475148664144293
Energy: 1.174272809327271
Energy: 1.2701962376185518
Energy: 1.1456111625336158
Energy: 1.1755800476970937
Energy: 1.174539392930051
Energy: 1.3255513445300364
Energy: 1.1826072559043952
Energy: 1.1621563681703664
Energy: 1.195544116750047
Energy: 1.1822558209723253
Energy: 1.1651732881408938
Energy: 1.3262285660177011
Energy: 1.171673852779652
Energy: 1.1789036259240468
Energy: 1.3276852246212087
Energy: 1.159163265605092
Energy: 1.1404017795697636
Energy: 1.3696298235016902
Energy: 1.1789845356112771
Energy: 1.2104314828404286
Energy: 1.2100685013243717
Energy: 1.1755847080657844
Energy: 1.2035389031253982
Energy: 1.4367169996093696
Energy: 1.1954829752809182
Energy: 1.2115565895218863
Energy: 1.1676360565141066
Energy: 1.2026272227861583
Energy: 1.167471554159543
Energy: 1.304361763710925
Energy: 1.1966173354562986
Energy: 1.1971503480523171
Energy: 1.167977437329941
Energy: 1.1985831038857355
Energy: 1.1825451009830736
Energy: 1.1683853956508243
Energy: 1.168778362018723
Energy: 1.1784850644149272
Energy: 1.1696106707677587
Energy: 1.169923019143958
Energy: 1.1776253757344217
Energy: 1.1685858849079291
Energy: 1.1724511433150517
Energy: 1.1683763189642746
Energy: 1.1735507950649346
Energy: 1.1810905502459141
Energy: 1.1688975091404104
Energy: 1.170790313512007
Energy: 1.176682294611745
Energy: 1.1729755603514171
Energy: 1.172299578246706
Energy: 1.1733468756463472
Energy: 1.1690262729718504
Energy: 1.1913431524856721
Energy: 1.1789922574930496
Energy: 1.1783510107601036
Energy: 1.1718824385924274
Energy: 1.1793896075229426
Energy: 1.1731315889223553
Energy: 1.1533218396544116
Energy: 1.1566484205319187
Energy: 1.1463544412359554
Energy: 1.154438172593125
Energy: 1.1562957218531045
Energy: 1.146347642111677
Energy: 1.4123993829362351
Energy: 1.1598827146769983
Energy: 1.1599754580037687
Energy: 1.1465583694855752
Energy: 1.1601628931411128
Energy: 1.1654898139131404
Energy: 1.5839261969081155
Energy: 1.1815672910251884
Energy: 1.1801770741573947
Energy: 1.1463592656541528
Energy: 1.161224182396193
Energy: 1.1701889914983599
Energy: 1.155212213312564
Energy: 1.1512631937122255
Energy: 1.1466863118524002
Energy: 1.1635227834733333
Energy: 1.156242886027463
Energy: 1.1468777948204518
Energy: 1.1568520549660446
Energy: 1.1584282890789146
Energy: 1.157827786406392
Energy: 1.1563578805321049
Energy: 1.158721214688788
Energy: 1.1588998406129718
Energy: 1.1547467137380656
Energy: 1.164359724227781
Energy: 1.1639002055873333
Energy: 1.1569004718070008
Energy: 1.1659524252761222
Energy: 1.1610143340506849
Energy: 1.155784206704737
Energy: 1.163896893627859
Energy: 1.1642012605936436
Energy: 1.165983553194172
Energy: 1.164534674219349
Energy: 1.163844995081784
Energy: 1.1624443341078174
Energy: 1.1756564742685338
Energy: 1.1726575284572716
Energy: 1.1739487943763025
Energy: 1.1729736572296638
Energy: 1.18153768158378
Energy: 1.37799983121634
Energy: 1.1842178194830726
Energy: 1.2013822558054477
Energy: 1.1788694729131235
Energy: 1.2544974975315415
Energy: 1.182681990189118
Energy: 1.5425187757219307
Energy: 1.2099056015901526
Energy: 1.2086348118176815
Energy: 1.1537867732306613
Energy: 1.2168161098042691
Energy: 1.195426162456747
Energy: 1.2527345903811107
Energy: 1.1635556242367129
Energy: 1.1460730159650656
Energy: 1.1654981207865154
Energy: 1.1990376000357166
Energy: 1.2130080061551984
Energy: 1.2288570952929245
Energy: 1.1747724639339978
Energy: 1.18061535401228
Energy: 1.2302622243778392
Energy: 1.1792379208269477
Energy: 1.1562156785433533
Energy: 1.22794069858896
Energy: 1.1709503786099733
Energy: 1.174160422379446
Energy: 1.1990603940451359
Energy: 1.1781491517615246
Energy: 1.17864037971121
Energy: 1.2003346434511233
Energy: 1.162823470453058
Energy: 1.1505035483831338
Energy: 1.1366973609520414
Energy: 1.1661784103547874
Energy: 1.22291320453735
Energy: 1.213493460347762
Energy: 1.1517737540310786
Energy: 1.1715444639334385
Energy: 1.1561170234798686
Energy: 1.1476601353788478
Energy: 1.179548572113372
Energy: 1.2452936454883627
Energy: 1.1720208569886756
Energy: 1.1724934231183084
Energy: 1.1449318866982856
Energy: 1.1725725722518066
Energy: 1.172121057668595
Energy: 1.3227029139375872
Energy: 1.1724858915027019
Energy: 1.1644217507646482
Energy: 1.185208157085427
Energy: 1.1780197845026414
Energy: 1.1646171708540844
Energy: 1.3339156055487589
Energy: 1.1366532144713486
Energy: 1.1981560562960705
Energy: 1.2009125109071122
Energy: 1.1543195203160543
Energy: 1.20953009887994
Energy: 1.3884191025520811
Energy: 1.1601484265631585
Energy: 1.170884145232989
Energy: 1.3347385508559768
Energy: 1.1554996553364894
Energy: 1.1549836352761214
Energy: 1.3897187492139476
Energy: 1.1899372868864857
Energy: 1.1647765586752705
Energy: 1.191599287154786
Energy: 1.191475884102458
Energy: 1.1646039619883606
Energy: 1.6855971194096837
Energy: 1.189234492136003
Energy: 1.230587512781435
Energy: 1.1905714717507951
Energy: 1.1908800964117543
Energy: 1.1777165312723534
Energy: 1.1600086743637894
Energy: 1.1600293726689919
Energy: 1.1618356853005818
Energy: 1.1658532664249377
Energy: 1.16004050835475
Energy: 1.1634435638560947
Energy: 1.1560904149327127
Energy: 1.1701867319436507
Energy: 1.1684817784351202
Energy: 1.1734411359160575
Energy: 1.171958167772565
Energy: 1.1673344475006937
Energy: 1.1699577763114108
Energy: 1.1735176471197193
Energy: 1.1722803578835879
Energy: 1.1632054383599624
Energy: 1.1671218220933572
Energy: 1.1742339129046724
Energy: 1.1858133616689424
Energy: 1.1659701229616146
Energy: 1.164147872054621
Energy: 1.187305271731122
Energy: 1.1661710686981357
Energy: 1.1842495898400711
Energy: 1.1757007810672546
Energy: 1.1682101081486338
Energy: 1.1776510191305827
Energy: 1.2818491905285476
Energy: 1.1670554108113524
Energy: 1.168320637450114
Energy: 1.3456828977594604
Energy: 1.1698120150679552
Energy: 1.170970326550617
Energy: 1.1893479522847674
Energy: 1.2953801150133752
Energy: 1.167837073904735

minimum gb energy = 1.1366532144713486 eV
minimum distance =  2.27808737638113 Angstroms
sigma value = 81


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

Energy: 2.044266574915932
Energy: 1.1834957367234384
Energy: 1.183078817787654
Energy: 1.1832531823048564
Energy: 1.1942563585708688
Energy: 1.1831263701178087
Energy: 1.2159736041445046
Energy: 1.1548647840019794
Energy: 1.156285120526761
Energy: 1.1636822275005958
Energy: 1.121869158290124
Energy: 1.158700207372699
Energy: 1.2355566255248633
Energy: 1.12723281726627
Energy: 1.1262537808162434
Energy: 1.221498635020492
Energy: 1.1285962949747983
Energy: 1.171229541572117
Energy: 1.1392324094401052
Energy: 1.127178200682614
Energy: 1.169642771603158
Energy: 1.139009915596823
Energy: 1.1255611196794786
Energy: 1.1699232866195137
Energy: 1.1720185121259836
Energy: 1.1523173000602096
Energy: 1.1524674434221953
Energy: 1.1801431105914189
Energy: 1.1520066321161706
Energy: 1.1518436565631591
Energy: 1.142913185306195
Energy: 1.151502658118988
Energy: 1.1523358106877515
Energy: 1.1565464621401624
Energy: 1.1539244159926594
Energy: 1.1849342924768762
Energy: 1.1229531572143363
Energy: 1.2017086587540244
Energy: 1.2015197127560222
Energy: 1.1123990116496747
Energy: 1.2028262937226069
Energy: 1.154162862751963
Energy: 1.305686348910854
Energy: 1.2082225023897688
Energy: 1.2133108647303936
Energy: 1.1202756614603033
Energy: 1.2752683648640764
Energy: 1.1890479624254826
Energy: 1.1576045235944947
Energy: 1.2122265852565688
Energy: 1.1548821049570357
Energy: 1.1098886157083854
Energy: 1.2106808556854394
Energy: 1.1565176375279236
Energy: 1.2255539558814679
Energy: 1.0850441687044288
Energy: 1.0842938960282393
Energy: 1.225939550237555
Energy: 1.085890078022553
Energy: 1.1456052299791755
Energy: 1.1596381264885165
Energy: 1.080487346164794
Energy: 1.0842618492637945
Energy: 1.1564035837634468
Energy: 1.0797604041449187
Energy: 1.1574591321897099
Energy: 1.1335063370314071
Energy: 1.1516472247882132
Energy: 1.151698285993817
Energy: 1.1266731324002273
Energy: 1.1560194512161985
Energy: 1.15753008995377
Energy: 1.1334679056266472
Energy: 1.172409549628216
Energy: 1.1538272832154923
Energy: 1.1287218257714098
Energy: 1.175706830338317
Energy: 1.1272064147026073
Energy: 1.1615112348965528
Energy: 1.1868806784529247
Energy: 1.1523674127270183
Energy: 1.1565731294858226
Energy: 1.1886425683577844
Energy: 1.1504320340888703
Energy: 1.297189079598456
Energy: 1.1545138205250545
Energy: 1.1829834258863288
Energy: 1.1504238173741934
Energy: 1.185024071374179
Energy: 1.1838117830577122
Energy: 1.295894591187013
Energy: 1.1485911335673418
Energy: 1.1546671831222715
Energy: 1.2032519277864848
Energy: 1.1551442680167898
Energy: 1.155175605292756
Energy: 1.2960398244823457
Energy: 1.1552730295304139
Energy: 1.1536912708576341
Energy: 1.2968202189681919
Energy: 1.1560325279849875
Energy: 1.1884024811442102
Energy: 1.3075455416181325
Energy: 1.1604798066434334
Energy: 1.1587808520487843
Energy: 1.211045572827918
Energy: 1.1125304773013533
Energy: 1.1550684769218573
Energy: 1.3421332637205576
Energy: 1.1463960313252133
Energy: 1.0832825098802836
Energy: 1.07835744136724
Energy: 1.1444982599413824
Energy: 1.0853281951533498
Energy: 1.3433034865445928
Energy: 1.1462348989525248
Energy: 1.1146562400461595
Energy: 1.0794308282489289
Energy: 1.1460307370250844
Energy: 1.0848101975006745
Energy: 1.1314816486896355
Energy: 1.1609768955631425
Energy: 1.141461122414862
Energy: 1.1202844664516396
Energy: 1.112692046749615
Energy: 1.1431521713660135
Energy: 1.156109240344344
Energy: 1.1293368607119671
Energy: 1.1293792153402509
Energy: 1.1741419959533979
Energy: 1.1261174763023902
Energy: 1.1430510745351226
Energy: 1.1539278001844182
Energy: 1.1534554058204365
Energy: 1.1564337562472968
Energy: 1.1576116030495949
Energy: 1.133579231128106
Energy: 1.1596863693243968
Energy: 1.187841687737684
Energy: 1.1852003492088052
Energy: 1.1843812159006135
Energy: 1.1829615206419088
Energy: 1.1535249545790482
Energy: 1.1835418538434392
Energy: 1.1869819823964047
Energy: 1.1542878552049607
Energy: 1.1543933787858145
Energy: 1.1541549634580794
Energy: 1.2029948111652384
Energy: 1.1485562622565395
Energy: 1.3049889164293518
Energy: 1.2087312485909363
Energy: 1.2123540411465576
Energy: 1.1508000794228734
Energy: 1.2359841794732358
Energy: 1.2145863114086406
Energy: 1.3054077248961118
Energy: 1.2120427492972785
Energy: 1.2126746607960524
Energy: 1.1310113843851612
Energy: 1.2211752393523743
Energy: 1.2139058383793877
Energy: 1.1546523482788884
Energy: 1.081176882176755
Energy: 1.1268920677146153
Energy: 1.155522737437132
Energy: 1.133497916470572
Energy: 1.128368001072972
Energy: 1.1619559800780115
Energy: 1.084744518126472
Energy: 1.0824304098608344
Energy: 1.1709771539064864
Energy: 1.0834536232765821
Energy: 1.1141408875202625
Energy: 1.127836671231376
Energy: 1.1533515755556654
Energy: 1.1538877582241744
Energy: 1.1098764074555996
Energy: 1.1464210720742272
Energy: 1.1408466225528777
Energy: 1.1343450986207366
Energy: 1.1680107951305763
Energy: 1.1526195032512359
Energy: 1.1269734222866081
Energy: 1.1735417485806383
Energy: 1.1289268935172265
Energy: 1.1272522630104798
Energy: 1.1453417908019845
Energy: 1.1553225157032112
Energy: 1.1108520660595358
Energy: 1.1442468110406783
Energy: 1.152038653214979
Energy: 1.2789173006600756
Energy: 1.1801140230497829
Energy: 1.1866965702339813
Energy: 1.159238681435035
Energy: 1.1803154147408081
Energy: 1.187025668468601
Energy: 1.2781633181829744
Energy: 1.1471500826405008
Energy: 1.1551712656264406
Energy: 1.1561624338489052
Energy: 1.1882827381373906
Energy: 1.1562133061765305
Energy: 1.2789372559663037
Energy: 1.1157515259848279
Energy: 1.184185583669782
Energy: 1.2178622924263143
Energy: 1.0993768713013334
Energy: 1.2321865272785788
Energy: 1.2659726047248943
Energy: 1.153499691249473
Energy: 1.1531316539561831
Energy: 1.2663009743945743
Energy: 1.1533640753674927
Energy: 1.2374403358841115
Energy: 1.3447753469600976
Energy: 1.1556927300582704
Energy: 1.1562663880328137
Energy: 1.2490064305619155
Energy: 1.1622060419755804
Energy: 1.1586995976012757
Energy: 1.395240715253884
Energy: 1.2476411794513829
Energy: 1.18337707776421
Energy: 1.1611152926826724
Energy: 1.205198093678245
Energy: 1.1347230055200876

minimum gb energy = 1.07835744136724 eV
minimum distance =  2.25510420604359 Angstroms
sigma value = 43


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

Energy: 1.9954034660391071
Energy: 1.299995336930602
Energy: 1.2227127394744317
Energy: 1.1703077106079587
Energy: 1.3498499558471204
Energy: 1.1691793353126567
Energy: 1.1392916668316815
Energy: 1.15003252317517
Energy: 1.1382875031282882
Energy: 1.1434866484421617
Energy: 1.1379186827163277
Energy: 1.1540165296041798
Energy: 1.143970069754349
Energy: 1.1393225522086372
Energy: 1.1389816431916209
Energy: 1.2563872185973286
Energy: 1.1392711464376366
Energy: 1.168241806605021
Energy: 1.1427473791556013
Energy: 1.1386389697431796
Energy: 1.144237794100754
Energy: 1.1428931009179446
Energy: 1.1389798032940357
Energy: 1.1440491153896601
Energy: 1.1253544555071382
Energy: 1.1407659420428913
Energy: 1.1400185267965997
Energy: 1.133190260125131
Energy: 1.1409135027327533
Energy: 1.1395180750598886
Energy: 1.1246745341770785
Energy: 1.140739162949061
Energy: 1.1408604636251243
Energy: 1.1406732458264872
Energy: 1.1407326460720428
Energy: 1.1410206671989487
Energy: 1.1174702812661714
Energy: 1.1251918633526277
Energy: 1.1324087701005134
Energy: 1.1268275318691474
Energy: 1.1262114417019136
Energy: 1.1355820548991815
Energy: 1.164151508036975
Energy: 1.1455223276126492
Energy: 1.1946240681667668
Energy: 1.122122880723478
Energy: 1.1457179606442107
Energy: 1.1444958897712374
Energy: 1.11765876705857
Energy: 1.14424089388752
Energy: 1.1435245908235476
Energy: 1.1389546707040579
Energy: 1.1432049346442055
Energy: 1.145065422419981
Energy: 1.3473013817191097
Energy: 1.1411590175199031
Energy: 1.1929554930930226
Energy: 1.1865642384977584
Energy: 1.1409697979141669
Energy: 1.1787863876979183
Energy: 1.1101761220182538
Energy: 1.1626623392661264
Energy: 1.162215521306766
Energy: 1.1380020839202218
Energy: 1.1981533084735274
Energy: 1.1523431492617393
Energy: 1.251722842583745
Energy: 1.1440610754625717
Energy: 1.1675337627853706
Energy: 1.1452824382754916
Energy: 1.1441032383678345
Energy: 1.1675452300369455
Energy: 1.3358524549581872
Energy: 1.1426541965098993
Energy: 1.1428692379281713
Energy: 1.1390072458349174
Energy: 1.1887585345696616
Energy: 1.144608767323867
Energy: 1.1103010359773922
Energy: 1.1513937891533828
Energy: 1.1512938466197993
Energy: 1.1431913611702742
Energy: 1.1270059683241842
Energy: 1.1517782510162695
Energy: 1.1095357743582401
Energy: 1.1318776593623059
Energy: 1.1537293151129895
Energy: 1.1540118878441976
Energy: 1.130540998678072
Energy: 1.133349186362916
Energy: 1.1054578693899937
Energy: 1.1400426621971658
Energy: 1.121128834590731
Energy: 1.1051121802547568
Energy: 1.1391131195551123
Energy: 1.1259007286715685
Energy: 1.1280787004560506
Energy: 1.1308691291551303
Energy: 1.130249309092104
Energy: 1.1279218268339029
Energy: 1.1304874887747045
Energy: 1.129838827898567
Energy: 1.1283401429128983
Energy: 1.1270456543663332
Energy: 1.154844571154863
Energy: 1.143527297365327
Energy: 1.143221585562273
Energy: 1.1539775925223803
Energy: 1.1181398014988129
Energy: 1.129398582241393
Energy: 1.1283010147714139
Energy: 1.1417841216753657
Energy: 1.2002154822753996
Energy: 1.1673005674020511
Energy: 1.399030821813433
Energy: 1.1276230501907594
Energy: 1.1285203399559645
Energy: 1.1414114626354641
Energy: 1.1874336976968365
Energy: 1.1669367283586283
Energy: 1.1287713073801158
Energy: 1.125864424752734
Energy: 1.1275404790527768
Energy: 1.1430429077537316
Energy: 1.1121034525764901
Energy: 1.1275582403768025
Energy: 1.2602101096446094
Energy: 1.145035494819597
Energy: 1.1457428678814743
Energy: 1.2600234797299894
Energy: 1.1043901235033249
Energy: 1.2271228463663382
Energy: 1.146448217879069
Energy: 1.1287674084905779
Energy: 1.1284299327692857
Energy: 1.1093161415588668
Energy: 1.1299529784228157
Energy: 1.157761541377717
Energy: 1.2233827613470476
Energy: 1.1306687716351969
Energy: 1.1311372033679954
Energy: 1.117006481156282
Energy: 1.2510061018617564
Energy: 1.1574108718639735
Energy: 1.2292996746360811
Energy: 1.1257645937495082
Energy: 1.128707858525011
Energy: 1.1550942842165828
Energy: 1.125149700218479
Energy: 1.155421424286795
Energy: 1.1915398142945426
Energy: 1.1304747823610486
Energy: 1.1520903002388263
Energy: 1.1502230345742697
Energy: 1.1097311780247807
Energy: 1.153192938772547
Energy: 1.1907431153133117
Energy: 1.1350558929211576
Energy: 1.1508162802066133
Energy: 1.1517963562064553
Energy: 1.136765613135216
Energy: 1.1516209296250266
Energy: 1.175487398080624
Energy: 1.1510734746546745
Energy: 1.1514980074476588
Energy: 1.14292501382165
Energy: 1.1382899656861085
Energy: 1.1350139857364576
Energy: 1.1736073043418929
Energy: 1.1431621661258422
Energy: 1.1430357784439826
Energy: 1.1627888447941872
Energy: 1.105653380403113
Energy: 1.1429773924462903
Energy: 1.1446499726656651
Energy: 1.1360816867152048
Energy: 1.153152414684675
Energy: 1.1682564272900369
Energy: 1.1379086049421636
Energy: 1.1248773184079826
Energy: 1.1048102971471419
Energy: 1.2149432770534196
Energy: 1.1333868695742018
Energy: 1.148805096908737
Energy: 1.2174029372624717
Energy: 1.1337041013708384

minimum gb energy = 1.1043901235033249 eV
minimum distance =  2.27064461360169 Angstroms
sigma value = 57


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

Energy: 1.4041875265104344
Energy: 1.2663858056080968
Energy: 1.1544485107593565
Energy: 1.0415383050199754
Energy: 1.2385380341448604
Energy: 1.267269550835686
Energy: 1.1530764287234403
Energy: 1.1735914724597922
Energy: 1.1541939902048908
Energy: 1.0972480083859053
Energy: 1.155157753471069
Energy: 1.153073585836159
Energy: 1.2366408578520174
Energy: 1.143767751480302
Energy: 1.1438304997501967
Energy: 1.1190000108597675
Energy: 1.1610568557113097
Energy: 1.1446477937920794
Energy: 1.237330296785508
Energy: 1.1592850624237188
Energy: 1.159964457334067
Energy: 1.2454061443885738
Energy: 1.1594047115056176
Energy: 1.0822464272310985
Energy: 1.2333696143394914
Energy: 1.2331429510480991
Energy: 1.2417767901030956
Energy: 1.2273802815328856
Energy: 1.242253154387514
Energy: 1.232173928433751
Energy: 1.109108390042531
Energy: 1.2291242381037182
Energy: 1.2364846689738334
Energy: 1.2461483996231308
Energy: 1.2316178882158284
Energy: 1.2279610919673942
Energy: 1.2493379050609354
Energy: 1.2385841202158174
Energy: 1.2390519888385336
Energy: 1.1859313144061034
Energy: 1.25572251363034
Energy: 1.2409290094384364
Energy: 1.1779817473630236
Energy: 1.2514861369923969
Energy: 1.2522582505685795
Energy: 1.1495982579298276
Energy: 1.2823235764740495
Energy: 1.2504116560058434
Energy: 1.2448395185536842
Energy: 1.266961790354833
Energy: 1.267689002751085
Energy: 1.2111244153657907
Energy: 1.2720078115012377
Energy: 1.2666873836400736
Energy: 1.4468320379050013
Energy: 1.2027209726685788
Energy: 1.2022249654212276
Energy: 1.301549551141232
Energy: 1.2030263260639082
Energy: 1.2015214990493415
Energy: 1.1687999657660502
Energy: 1.1999776376442366
Energy: 1.213794905544894
Energy: 1.2995378661411685
Energy: 1.1688137077185037
Energy: 1.3197178607424187
Energy: 1.0366044489624568
Energy: 1.236327347754543
Energy: 1.235798682360174
Energy: 1.079740613162959
Energy: 1.2359105946333513
Energy: 1.1904973057116908
Energy: 1.0360483240174092
Energy: 1.2356717560568884
Energy: 1.1924790468573616
Energy: 1.1911595471187149
Energy: 1.235642096902118
Energy: 1.192400508158229
Energy: 1.3192174145467277
Energy: 1.2102741821991116
Energy: 1.213716349805332
Energy: 1.3198478128837003
Energy: 1.315814322298315
Energy: 1.2138883616866845
Energy: 1.2369056333132957
Energy: 1.1084212440303007
Energy: 1.1074143295144074
Energy: 1.2393569985637338
Energy: 1.1283630649864527
Energy: 1.1060658577416191
Energy: 1.234908904792765
Energy: 1.236737980987752
Energy: 1.212138417544262
Energy: 1.2220291790449123
Energy: 1.2360735499449669
Energy: 1.2138064748878614
Energy: 1.2486745391430556
Energy: 1.2304264696675948
Energy: 1.2322927568390716
Energy: 1.2109228837706778
Energy: 1.2311077639324395
Energy: 1.2305203557229807
Energy: 1.2493992328739931
Energy: 1.24087257433247
Energy: 1.2419891758948551
Energy: 1.2318047732389292
Energy: 1.2291495369577907
Energy: 1.2409428224276973
Energy: 1.2432998283381442
Energy: 1.265115860610508
Energy: 1.2691348735387178
Energy: 1.239070336519898
Energy: 1.2572168206219783
Energy: 1.2649708319734572
Energy: 1.2429352198195787
Energy: 1.2665145154424786
Energy: 1.2732349832139898
Energy: 1.2553550667211402
Energy: 1.2738000567076724
Energy: 1.2672490646303654
Energy: 1.245343108201329
Energy: 1.1853663123366838
Energy: 1.254507306342876
Energy: 1.2478025998827131
Energy: 1.2691864420980663
Energy: 1.1226110034451524
Energy: 1.4575851157398563
Energy: 1.1644357363139257
Energy: 1.1670481466514913
Energy: 1.2100407769756962
Energy: 1.1883562972573491
Energy: 1.2429461132891677
Energy: 1.2334151245702218
Energy: 1.186477971317234
Energy: 1.1764406922064676
Energy: 1.097694235228723
Energy: 1.169094178279096
Energy: 1.1282278862519841
Energy: 1.1506302443436365
Energy: 1.169144837577233
Energy: 1.1951580776294792
Energy: 1.1954101658950511
Energy: 1.1534900598126654
Energy: 1.2685314706013042

minimum gb energy = 1.0360483240174092 eV
minimum distance =  2.24226885545055 Angstroms
sigma value = 17


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

Energy: 1.2755534775734083
Energy: 1.2484125466143858
Energy: 1.2456446706174134
Energy: 1.051013207313564
Energy: 1.1348514619058174
Energy: 1.0503454409059814
Energy: 0.9996632609895733
Energy: 1.1483316138172759
Energy: 1.0905228578927306
Energy: 1.1484692484567667
Energy: 1.1333537273046417
Energy: 1.0910567503820285
Energy: 1.1175092070756945
Energy: 1.0816658340737273
Energy: 1.0836861825422275
Energy: 1.1040722782586978
Energy: 1.0807450210370073
Energy: 1.027933649863298
Energy: 1.1206151419653343
Energy: 1.0810359860414542
Energy: 1.045678089907144
Energy: 1.1230125725329652
Energy: 1.0557013908149595
Energy: 1.1207278264880425
Energy: 0.984553026819585
Energy: 1.05060473918506
Energy: 1.0492852880848884
Energy: 0.9855432613541045
Energy: 1.0429411154635577
Energy: 1.048809498628705
Energy: 1.0005153315549895
Energy: 1.0503909008347236
Energy: 1.048007139529888
Energy: 1.0168291495227344
Energy: 0.971749161187903
Energy: 1.0155755956681798
Energy: 0.9849445736406351
Energy: 0.9706315293915564
Energy: 1.0010122393560752
Energy: 1.018106165270818
Energy: 0.9711527190543419
Energy: 0.9979498558025883
Energy: 0.97253876411206
Energy: 1.022775138824613
Energy: 1.0206106824597687
Energy: 1.0229224194299265
Energy: 1.0217408609867422
Energy: 1.039726792149433
Energy: 0.9743335309865812
Energy: 1.0212196166009317
Energy: 1.0201580340106426
Energy: 0.9710504155986605
Energy: 1.0204217404911233
Energy: 0.9976844321326377
Energy: 0.9720979264541797
Energy: 1.0489145017368648
Energy: 1.0484576434592439
Energy: 0.97132024902964
Energy: 1.0488525518127028
Energy: 1.0178211320288668
Energy: 0.9716414895359959
Energy: 1.0484210914729697
Energy: 1.0489505208220313
Energy: 1.0168940594093427
Energy: 1.0676538099679282
Energy: 1.0502098983779935
Energy: 1.1031360490048492
Energy: 1.10418376895956
Energy: 1.104081874759481
Energy: 1.050734359452471
Energy: 1.1038033685782518
Energy: 1.1040916649502577
Energy: 1.1022295678515646
Energy: 1.1361057770061855
Energy: 1.1356983888575194
Energy: 1.0168277542907658
Energy: 1.1339237498309316
Energy: 1.1356730270046866
Energy: 1.1200438788453906
Energy: 1.1473517971644556
Energy: 1.144899325606953
Energy: 1.1071523978228146
Energy: 1.1061274335876696
Energy: 1.0905120438393812
Energy: 1.1997136051617996
Energy: 1.1309998015308809
Energy: 1.1303222153029426
Energy: 1.1445318375204943
Energy: 1.1306214827644168
Energy: 1.1774630233207055
Energy: 1.192744843312677
Energy: 1.164280144083382
Energy: 1.0956939731410253
Energy: 1.1059673789892475
Energy: 1.1630812959471661
Energy: 1.1470111375383458
Energy: 1.0892085362339454
Energy: 1.1463253965943643
Energy: 1.2059329872162796
Energy: 1.0009257119151445
Energy: 1.1334760234511823
Energy: 1.2056430224922814

minimum gb energy = 0.9706315293915564 eV
minimum distance =  2.2909177721569 Angstroms
sigma value = 17


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

Energy: 0.897572510415318
Energy: 1.207732382571589
Energy: 1.0221681707850478
Energy: 1.0210114698763844
Energy: 1.0917467086218637
Energy: 1.0223299771657666
Energy: 0.9831858007235774
Energy: 1.1026958855310778
Energy: 0.9919464242821366
Energy: 1.0793745336275948
Energy: 1.0805072719347797
Energy: 1.0318253104295154
Energy: 1.3005267236266758
Energy: 0.9573396218414066
Energy: 1.0069686409192022
Energy: 1.080105308323004
Energy: 0.9573711113861719
Energy: 0.9853053662636791
Energy: 1.0837743804254951
Energy: 1.0062029145391054
Energy: 1.0073270343828087
Energy: 1.0832992728475326
Energy: 0.9592053498042047
Energy: 0.9847424184305847
Energy: 0.9525151068414816
Energy: 0.9763942340422812
Energy: 0.9936053998965063
Energy: 0.9534388589971818
Energy: 0.9734795012563503
Energy: 0.99484085271186
Energy: 0.8649377728515607
Energy: 0.9380286755066697
Energy: 0.9541416900838796
Energy: 0.9568719796423444
Energy: 0.939382001424438
Energy: 0.9549511182940337
Energy: 0.8776546417809876
Energy: 0.9389937344337473
Energy: 0.9398363705409543
Energy: 0.9130694996147544
Energy: 0.9421861991467146
Energy: 0.9430462049786058
Energy: 0.8771542738983881
Energy: 0.9327474114650857
Energy: 0.9444262086226309
Energy: 0.957833645316288
Energy: 0.9326698554908024
Energy: 0.9447860187675137
Energy: 0.8789733326307568
Energy: 0.9430668502945776
Energy: 0.917316729575669
Energy: 0.8805266822383969
Energy: 0.913072058554981
Energy: 0.8783284695579252
Energy: 0.8780032047678418
Energy: 0.9371576831880511
Energy: 0.9382849740339512
Energy: 0.8776105600022739
Energy: 0.9359430566478237
Energy: 0.9381622445795967
Energy: 0.8917024246561921
Energy: 0.9202170367766698
Energy: 0.9364411566307596
Energy: 0.9360872812509479
Energy: 0.8773440510589692
Energy: 0.9362877781275177
Energy: 0.8803828453174123
Energy: 0.878557521126307
Energy: 0.8780239199357248
Energy: 0.881433802055175
Energy: 0.8840866973620232
Energy: 0.9192090239741375
Energy: 0.8775823563941051
Energy: 0.9463433528078465
Energy: 0.944936893256001
Energy: 0.9438982692246398
Energy: 0.922632304345789
Energy: 0.9435107634326175
Energy: 0.9402148205340952
Energy: 0.9521938182309141
Energy: 0.9507742924620001
Energy: 0.9394440109061244
Energy: 0.9452517093184329
Energy: 0.9380869673431478
Energy: 0.9391418470639039
Energy: 0.9473276844045821
Energy: 0.9460902076771265
Energy: 0.9385692595255078
Energy: 0.9479237982161213
Energy: 1.0023308140513414
Energy: 0.9426794976448849
Energy: 0.9931616121725664
Energy: 0.9915608064972389
Energy: 0.9736115726526071
Energy: 0.989139773394303
Energy: 0.9748615008838476
Energy: 0.8793910963348988
Energy: 1.0805743151750302
Energy: 1.0806113708756933
Energy: 0.914868649645259
Energy: 1.0801636630346099
Energy: 0.9379513561380803
Energy: 0.8790593136097745
Energy: 1.0921254471112691
Energy: 1.0897809548102877
Energy: 0.9773687042270058
Energy: 1.080642858192611
Energy: 0.974101588501705
Energy: 1.096767031275767
Energy: 1.080212965583865
Energy: 1.030283883385875
Energy: 1.0808992120457368
Energy: 0.987548282275502
Energy: 1.0388653107551058
Energy: 1.2374633652541707
Energy: 0.9765112084959886
Energy: 0.9784250613165464
Energy: 1.114499907099059
Energy: 0.9761637685696835
Energy: 1.0999112676528866
Energy: 1.2126797159624292
Energy: 1.0585500435825927
Energy: 1.085558927012007
Energy: 1.0830963615542146
Energy: 1.0800344226952105
Energy: 1.0288139642539749
Energy: 0.891646405071368
Energy: 1.0923855306051193
Energy: 1.173175586855727
Energy: 0.9858059859288929
Energy: 1.1074014113094237
Energy: 0.9860444883198966
Energy: 0.8959972592690869
Energy: 1.1033855634737577
Energy: 1.1046182538839828
Energy: 0.9292596568406885
Energy: 1.1032992749592727
Energy: 1.1535790553809582
Energy: 1.325148546609233
Energy: 1.0087549234640263
Energy: 1.1028266735772194
Energy: 1.0816756341875917
Energy: 0.9549088976055522
Energy: 1.058199421192911
Energy: 1.080711836282656
Energy: 0.9589233818043533
Energy: 1.0082009793037934
Energy: 1.0804268546491425
Energy: 0.9597831056907273
Energy: 0.9875015433491282
Energy: 0.9559978349679924
Energy: 0.9780000679706147
Energy: 0.9918511935796157
Energy: 0.9560519010954621
Energy: 0.9760103441551696
Energy: 0.995414442219176
Energy: 0.8634840874514297
Energy: 0.9832046660285944
Energy: 0.9831563197916354
Energy: 0.9564294549294013
Energy: 0.9947690509870923
Energy: 0.9549419533857987
Energy: 0.8617285691296642
Energy: 0.9391951327141982
Energy: 0.9388000031104304
Energy: 0.8621095096587852
Energy: 0.9411358759858058
Energy: 0.9386657122097574
Energy: 0.8773950831262702
Energy: 0.9456879722635343
Energy: 0.9462987125999237
Energy: 0.9544465585549388
Energy: 0.9384331584415916
Energy: 0.9454547837097649
Energy: 0.878755323358813
Energy: 0.9322681407209426
Energy: 0.9435739106431007
Energy: 0.8783876083031317
Energy: 0.9323440101187409
Energy: 0.943251653435687
Energy: 0.8838153733212535
Energy: 0.9393725117682674
Energy: 0.9383906044175557
Energy: 0.8852338894542006
Energy: 0.9363456304979499
Energy: 0.9154082660320235
Energy: 0.8909735703311645
Energy: 0.9402580056416243
Energy: 0.9398477567430338
Energy: 0.9467616141774391
Energy: 0.9369296122218836
Energy: 0.9403731839295607
Energy: 0.9736091712709564
Energy: 0.8778168196345878
Energy: 0.8782882649864934
Energy: 0.9736771649608381
Energy: 0.8793557216251736
Energy: 0.8780671108010454
Energy: 0.9754730041496074
Energy: 0.942909602388063
Energy: 0.9587965577465626
Energy: 0.9518061502589185
Energy: 0.9198321055651372
Energy: 0.9486694499234409
Energy: 0.9471509578235322
Energy: 0.9478060939875821
Energy: 0.9476562294891309
Energy: 0.9385107605490437
Energy: 0.9494055097519837
Energy: 0.9491149804476171
Energy: 0.9393183417150218
Energy: 0.9452740358383992
Energy: 0.9832923966361423
Energy: 0.9394842732333623
Energy: 0.945345042820297
Energy: 0.9748007450633865
Energy: 0.9392256273434663
Energy: 0.9905882754144885
Energy: 0.9916168517463554
Energy: 0.9784934879719236
Energy: 0.9784404927554221
Energy: 0.9764831482296525
Energy: 0.8761286274032342
Energy: 1.0799720370010921
Energy: 1.080087254346538
Energy: 0.9551836506788652
Energy: 1.082927235712309
Energy: 0.9779712278230078
Energy: 0.8787731713106576
Energy: 1.0928228217770017
Energy: 0.9755462372619459
Energy: 0.974180820388611
Energy: 1.1088334873911858
Energy: 0.976388223067981
Energy: 0.9382195604176946
Energy: 1.0713954334873983
Energy: 1.077231166531775
Energy: 0.9548980591260218
Energy: 1.0846013263097003
Energy: 1.0292647549157592
Energy: 1.1131511699520118
Energy: 0.9799134812642196
Energy: 1.0787960648587527
Energy: 1.1071279361110822
Energy: 0.9758161855226244
Energy: 1.079832258013159
Energy: 1.3168353249351146
Energy: 1.0299306913894177
Energy: 1.0917039448184835
Energy: 1.0823946442981218
Energy: 0.9890889415881465
Energy: 1.0584322669928932
Energy: 0.8981221670764041
Energy: 1.1061395666200469
Energy: 1.090757424828773
Energy: 0.929545933248579
Energy: 1.1111333371241074
Energy: 1.1528812954334895

minimum gb energy = 0.8617285691296642 eV
minimum distance =  2.2716993214137 Angstroms
sigma value = 57


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

Energy: 1.0014868841596765
Energy: 1.1531407121995774
Energy: 0.9931325097126243
Energy: 0.9702286577348816
Energy: 1.3545704400943337
Energy: 1.0347048192375143
Energy: 0.9589729080738049
Energy: 0.9510652951230285
Energy: 0.9423940517407141
Energy: 1.042207688077409
Energy: 1.049611221117543
Energy: 0.9892023700291201
Energy: 1.2295780804222347
Energy: 0.9060255959654496
Energy: 0.9110386964688838
Energy: 1.0496740861548939
Energy: 0.9062512973565613
Energy: 0.9624933893659302
Energy: 1.0459566960910416
Energy: 0.9055707744281477
Energy: 0.9871205371341174
Energy: 1.0471215079384182
Energy: 0.9036764955394485
Energy: 0.9594231900194551
Energy: 0.9006360264439371
Energy: 0.9354697364384009
Energy: 0.9437852534278054
Energy: 0.9015769504487066
Energy: 0.9146609692636437
Energy: 0.9433081980419247
Energy: 0.8005064379787128
Energy: 0.911777614124557
Energy: 0.9046338097016229
Energy: 0.8748611564561594
Energy: 0.9121971455240112
Energy: 0.9050390859625257
Energy: 0.8394222584670221
Energy: 0.9131884211787951
Energy: 0.9169708251016597
Energy: 0.9035545770041017
Energy: 0.9178992681660051
Energy: 0.9000290774414191
Energy: 0.8417518425206706
Energy: 0.8705403185912846
Energy: 0.8705986876366124
Energy: 0.8794511236631579
Energy: 0.8702465808760189
Energy: 0.8877085466529192
Energy: 0.8438749534453949
Energy: 0.8870899786577744
Energy: 0.8402925448096379
Energy: 0.8447090594521396
Energy: 0.8477651896848295
Energy: 0.8400902598197263
Energy: 0.8398675593870157
Energy: 0.8930591378217217
Energy: 0.8753354390796966
Energy: 0.8400917757310776
Energy: 0.8909261997485536
Energy: 0.8765244696450176
Energy: 0.8154520451998952
Energy: 0.8075750357175848
Energy: 0.8751652617743629
Energy: 0.866035252303361
Energy: 0.8083445356719986
Energy: 0.8661368874452728
Energy: 0.9038402876833742
Energy: 0.8172240192212221
Energy: 0.8078657731332628
Energy: 0.9059237417632389
Energy: 0.8151880480271602
Energy: 0.8465280713630422
Energy: 0.8070761481859222
Energy: 0.909693682397632
Energy: 0.9062409048420403
Energy: 0.8674500823001792
Energy: 0.9075395957944857
Energy: 0.8875042825767432
Energy: 0.8088289993579437
Energy: 0.8679764310842452
Energy: 0.8069694401754434
Energy: 0.8109651495600289
Energy: 0.8917360506833414
Energy: 0.8077652446664778
Energy: 0.8081888095265105
Energy: 0.8705789434698313
Energy: 0.8689227718804078
Energy: 0.8076225160712355
Energy: 0.8955590476429568
Energy: 0.8666783587428775
Energy: 0.9130804509701554
Energy: 0.8395698572497511
Energy: 0.8742315150706313
Energy: 0.8739284731534644
Energy: 0.8527723488855988
Energy: 0.8723241201050551
Energy: 0.8103051233874689
Energy: 0.8404156481749826
Energy: 0.8401186883744102
Energy: 0.8716493218446963
Energy: 0.8491952786485822
Energy: 0.8962731946379168
Energy: 0.8111471206280784
Energy: 0.8801353011262911
Energy: 0.8966949933439409
Energy: 0.8568043408249291
Energy: 0.8772903846777715
Energy: 0.899739753385705
Energy: 0.9123457426315896
Energy: 0.9019236310857728
Energy: 0.9037986556989803
Energy: 0.9139006914702117
Energy: 0.8896632235106428
Energy: 0.9122733708035166
Energy: 0.9106345127379578
Energy: 0.8914804487242872
Energy: 0.8915473721945443
Energy: 0.9110407936987924
Energy: 0.8924702035009384
Energy: 0.944495716367242
Energy: 1.0508614030898729
Energy: 0.9400740984704153
Energy: 0.9417319307489068
Energy: 0.9349393227013311
Energy: 0.9380897763141088
Energy: 0.9579122381690796
Energy: 0.8085934691820073
Energy: 1.0425714993808874
Energy: 0.9116891813794323
Energy: 0.8908391430870415
Energy: 1.053638301340296
Energy: 0.9506963342164603
Energy: 0.8460895516931991
Energy: 1.0677018626055752
Energy: 1.023905185129548
Energy: 0.8461344225608681
Energy: 1.0472718603867137
Energy: 1.009058649184624
Energy: 1.153739907952686
Energy: 0.935480861896861
Energy: 1.0042787026058884
Energy: 1.0335586746310568
Energy: 0.9494527557504002
Energy: 0.9581171885318851
Energy: 1.233119023273024
Energy: 0.9342637753471623
Energy: 0.9344707168685611
Energy: 1.0418688184999048
Energy: 0.9342806259046645
Energy: 1.061940927102628
Energy: 1.2449850686257466
Energy: 1.0397721855723159
Energy: 1.052281276855549
Energy: 1.0483111976079404
Energy: 1.0209097106997322
Energy: 1.0017141287943385
Energy: 0.8152946465034628
Energy: 1.05679453774528
Energy: 0.9608925499020465
Energy: 0.8650588008263921
Energy: 1.057453523104531
Energy: 0.9609082608122341

minimum gb energy = 0.8005064379787128 eV
minimum distance =  2.27392131520848 Angstroms
sigma value = 43


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

Energy: 0.7100730994915474
Energy: 1.0270379503332228
Energy: 0.9270200868769789
Energy: 0.8342630233675815
Energy: 0.9485907380223718
Energy: 0.8694494876637098
Energy: 1.0259786827135495
Energy: 0.8305887513581072
Energy: 0.8159689855792556
Energy: 0.8855017986971692
Energy: 0.8259201725777713
Energy: 0.8127460965861911
Energy: 1.0666358719507334
Energy: 0.7682755400522162
Energy: 0.7965629032696308
Energy: 0.923336390748729
Energy: 0.7678538074863959
Energy: 0.7967680707338892
Energy: 0.9244105516020004
Energy: 0.7968849593910667
Energy: 0.7969813147656165
Energy: 0.8274227997144397
Energy: 0.7864107134905804
Energy: 0.8522890859880816
Energy: 0.7333870073931007
Energy: 0.812806869815141
Energy: 0.8149140529613026
Energy: 0.7335233923624587
Energy: 0.8250580169229889
Energy: 0.8162303567641154
Energy: 0.8518578939660234
Energy: 0.8211935166543199
Energy: 0.7897127733369605
Energy: 0.7478014411739856
Energy: 0.821058563137135
Energy: 0.7637921636343072
Energy: 1.003088664410807
Energy: 0.8218709661363661
Energy: 0.8652148024526652
Energy: 0.7730206130622342
Energy: 0.8218250858291207
Energy: 0.7719597999261428
Energy: 0.9739577552807477
Energy: 0.7448218075279757
Energy: 0.7570183717859883
Energy: 0.7722614714799467
Energy: 0.74240143886194
Energy: 0.7565805581128799
Energy: 0.7613154072848858
Energy: 0.7561644354170488
Energy: 0.7582851899272842
Energy: 0.7636339018545877
Energy: 0.7031143673510165
Energy: 0.7578889944153412
Energy: 0.8012148555589125
Energy: 0.7477988444820685
Energy: 0.7483984957669472
Energy: 0.7583160612908699
Energy: 0.7473290669172196
Energy: 0.7482402871440316
Energy: 0.6824720437505506
Energy: 0.7184198160577637
Energy: 0.7472740790879444
Energy: 0.7632591934868546
Energy: 0.7183445648326399
Energy: 0.740516215969718
Energy: 0.7578431968229709
Energy: 0.7185812617311457
Energy: 0.7196913957397926
Energy: 0.7509068446286089
Energy: 0.7194107548367217
Energy: 0.7522997179236988
Energy: 0.6962600750587418
Energy: 0.7601180974856486
Energy: 0.7690968493300848
Energy: 0.7644358234448824
Energy: 0.7593705017364687
Energy: 0.7703869323690339
Energy: 0.6959344735472637
Energy: 0.7357502762473926
Energy: 0.6952658903322362
Energy: 0.6979889032571073
Energy: 0.8166499029213625
Energy: 0.6955525791825778
Energy: 0.695286799598806
Energy: 0.7315075366165734
Energy: 0.7305127796937828
Energy: 0.695281434173359
Energy: 0.7317006882927335
Energy: 0.7370760343123092
Energy: 0.6889134945616879
Energy: 0.6847269227574869
Energy: 0.6848653425214409
Energy: 0.7317099069190433
Energy: 0.6849539915369071
Energy: 0.7439467109766015
Energy: 0.69962462928431
Energy: 0.6849285790790387
Energy: 0.6845942493998756
Energy: 0.7402250432774594
Energy: 0.6848752959509413
Energy: 0.7343349452464015
Energy: 0.6839505100860858
Energy: 0.7560787307099351
Energy: 0.7557105164371396
Energy: 0.6847100171485948
Energy: 0.7536944492279923
Energy: 0.74408405196719
Energy: 0.6849402118137257
Energy: 0.777515853895103
Energy: 0.6847476988037291
Energy: 0.6862766293423984
Energy: 0.8105130645748598
Energy: 0.6849242732825631
Energy: 0.6842158008844456
Energy: 0.7567895214441488
Energy: 0.7605529945373437
Energy: 0.6847006371415639
Energy: 0.7570959161119918
Energy: 0.7583221996482599
Energy: 0.7228413885908888
Energy: 0.6956867946323824
Energy: 0.6953691740156523
Energy: 0.7417913636493542
Energy: 0.695844082360166
Energy: 0.7423761937486122
Energy: 0.6865199487007715
Energy: 0.6955407353841173
Energy: 0.6958759107385982
Energy: 0.7343591941074776
Energy: 0.6955503329152953
Energy: 0.7347028555659078
Energy: 0.7184588971111103
Energy: 0.7365867138010345
Energy: 0.7362532449774223
Energy: 0.7197037044495825
Energy: 0.7249043477467869
Energy: 0.7367283364417616
Energy: 0.7191890751236615
Energy: 0.756087849129953
Energy: 0.7184053625467552
Energy: 0.7215749949577154
Energy: 0.7652745981925768
Energy: 0.7186240621392532
Energy: 0.9456777015131769
Energy: 0.7531991858182471
Energy: 0.7683407349577178
Energy: 0.747399661375292
Energy: 0.7526903219821252
Energy: 0.7687760153053724
Energy: 0.8266998249624476
Energy: 0.7578887542027329
Energy: 0.7595082159824942
Energy: 0.7576537155794273
Energy: 0.7581986791104142
Energy: 0.7589017306863834
Energy: 0.6855346055644832
Energy: 0.7578100513151902
Energy: 0.7715209301275209
Energy: 0.7571009059003178
Energy: 0.7577344231561675
Energy: 0.7507010428458506
Energy: 0.7585530843250087
Energy: 0.7731784250846625
Energy: 0.7744324831302933
Energy: 0.7837005479789817
Energy: 0.7726274622673827
Energy: 0.7715076446890801
Energy: 0.8244349591729159
Energy: 0.7754103924584725
Energy: 0.8215326420959104
Energy: 0.8264714919461283
Energy: 0.7183914487046167
Energy: 0.8213494507597014
Energy: 1.0093239927315034
Energy: 0.7572326229019359
Energy: 0.7763981777816192
Energy: 0.8218396898085863
Energy: 0.7567017554946668
Energy: 0.7762603083310262
Energy: 1.0353141002078619
Energy: 0.8263980517754295
Energy: 0.8669786901427664
Energy: 0.8263473130638421
Energy: 0.8262647677164385
Energy: 0.815290289376629
Energy: 0.8616553635136224
Energy: 0.9235286308530765
Energy: 0.8151652111046376
Energy: 0.7644804133079719
Energy: 0.9231024881221316
Energy: 0.7953980062088767
Energy: 0.757789635440322
Energy: 0.8609700851296886
Energy: 0.8639730916610499
Energy: 0.7841721908469879
Energy: 0.8826978794698617
Energy: 0.863389042025432
Energy: 1.0080799946611338
Energy: 0.8283629882842891
Energy: 0.8214361284920562
Energy: 0.8277624408888177
Energy: 0.82683891087119
Energy: 0.8724441358556407
Energy: 1.06615141640221
Energy: 0.8021815673814321
Energy: 0.8401152511251362
Energy: 0.923441421929348
Energy: 0.8010715718820944
Energy: 0.8324046863308447
Energy: 1.0096161308564608
Energy: 0.8601342812696963
Energy: 0.8631691542716979
Energy: 0.8850961376598333
Energy: 0.8711820141444389
Energy: 0.8141776542259869

minimum gb energy = 0.6824720437505506 eV
minimum distance =  2.33095858482285 Angstroms
sigma value = 81


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

Energy: 0.08677725888582977
Energy: 0.13710347197127143
Energy: 0.08773692060421026
Energy: 0.08963479603350033
Energy: 0.08881566018691357
Energy: 0.08751476144775013
Energy: 0.13833533154298328
Energy: 0.08827584132517001
Energy: 0.08870279830794967
Energy: 0.1398609041194944
Energy: 0.09107989574228942
Energy: 0.08872318008054006
Energy: 0.13793622917057022
Energy: 0.08742228232680815
Energy: 0.08734980561536768
Energy: 0.13735120235489381
Energy: 0.08726521996314844
Energy: 0.1371546290259899
Energy: 0.09167662301965714
Energy: 0.08741538992000174
Energy: 0.08750128488171217
Energy: 0.09595778057447905
Energy: 0.08728666513548267
Energy: 0.13783875310520222
Energy: 0.13721249568637967
Energy: 0.137558449791792
Energy: 0.1377221252252439
Energy: 0.1384533137390824
Energy: 0.13740401982490819
Energy: 0.1393061005805235
Energy: 0.08817991117318215
Energy: 0.08880221384541571
Energy: 0.08727720145475412
Energy: 0.09018622145075486
Energy: 0.08866260320929394
Energy: 0.08768733822787339
Energy: 0.13993143108774692
Energy: 0.08848149880162577
Energy: 0.08871208256952408
Energy: 0.13965861403292565
Energy: 0.08831339843346021
Energy: 0.08938308786657244
Energy: 0.13808561860530472
Energy: 0.08754335050595376
Energy: 0.08757942505404098
Energy: 0.13766043396041075
Energy: 0.08733492089890432
Energy: 0.13982262075075386
Energy: 0.08980535146617373
Energy: 0.08756396521120091
Energy: 0.13893930194479007
Energy: 0.09077968144303102
Energy: 0.08748830443171156
Energy: 0.13985693204474062
Energy: 0.08788975091840355
Energy: 0.13749541346464855
Energy: 0.13775259077780924
Energy: 0.0877125174523583
Energy: 0.13722011597184736
Energy: 0.13719552388962977

minimum gb energy = 0.08677725888582977 eV
minimum distance =  2.4637582653828 Angstroms
sigma value = 3


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

Energy: 0.9101049027067398
Energy: 0.9321267156816974
Energy: 0.8839715766444359
Energy: 0.8077121311375215
Energy: 0.8930709780859641
Energy: 0.8101155493690003
Energy: 0.8647455267661617
Energy: 0.9055107405404869
Energy: 0.90764897161947
Energy: 0.8346706984943921
Energy: 0.910169923935418
Energy: 0.9065762247512763
Energy: 0.9099777523854464
Energy: 0.809929238312239
Energy: 0.8097012530882162
Energy: 0.8889420486653968
Energy: 0.8338402117099346
Energy: 0.891318701418719
Energy: 0.8377479168387982
Energy: 0.8343094695272866
Energy: 0.8105254021926477
Energy: 0.8374984184878014
Energy: 0.7509194495908221
Energy: 0.8908590908496578
Energy: 0.7605171978329778
Energy: 0.9250158334258701
Energy: 0.9236594871549821
Energy: 0.7601232347715737
Energy: 0.9095682863124646
Energy: 0.9116160236655245
Energy: 0.7929367778231294
Energy: 0.8891911443251161
Energy: 0.8239069797828541
Energy: 0.7084987353311288
Energy: 0.9042448151950007
Energy: 0.753418895185483
Energy: 0.8357552044812387
Energy: 0.7703628507810012
Energy: 0.7735292710366322
Energy: 0.8372515427101298
Energy: 0.7708603250655902
Energy: 0.839006205075244
Energy: 0.8378452874151282
Energy: 0.7646041596028236
Energy: 0.7638182900009881
Energy: 0.8379281903623772
Energy: 0.6753743826627254
Energy: 0.7628521955114426
Energy: 0.891382708791224
Energy: 0.7992950558242731
Energy: 0.8521125954319049
Energy: 0.8578904419654071
Energy: 0.7108653461576051
Energy: 0.8506074777475442
Energy: 0.7173723562916571
Energy: 0.7705891025641104
Energy: 0.7703011490997889
Energy: 0.7170551483619281
Energy: 0.7759847781643023
Energy: 0.7736645831055571
Energy: 0.8504052304741763
Energy: 0.7729722638711528
Energy: 0.7729172467492399
Energy: 0.6822230593593996
Energy: 0.8574967103544718
Energy: 0.7131017157943719
Energy: 0.7169151435248883
Energy: 0.7739436147080819
Energy: 0.7738478696575466
Energy: 0.7169272348967953
Energy: 0.7735028366830057
Energy: 0.7165472261537607
Energy: 0.7183131557054708
Energy: 0.679828808453586
Energy: 0.7212547393170274
Energy: 0.718440672929207
Energy: 0.6622836685407285
Energy: 0.7187758179490444
Energy: 0.8394822675249269
Energy: 0.6831638982019038
Energy: 0.720355186021816
Energy: 0.7220145189034075
Energy: 0.6824690149578881
Energy: 0.7205948928320781
Energy: 0.8385493502796726
Energy: 0.68219573707371
Energy: 0.6820438566155529
Energy: 0.8383571333164868
Energy: 0.6853905933091383
Energy: 0.6820895248767944
Energy: 0.8367315883974182
Energy: 0.6839500765855256
Energy: 0.7536775144275419
Energy: 0.6650361935606535
Energy: 0.8268310898196375
Energy: 0.7516504714980768
Energy: 0.6648324583521994
Energy: 0.6841964242241392
Energy: 0.7416515643241055
Energy: 0.6646807877127825
Energy: 0.6840087108724818
Energy: 0.6642781025085268
Energy: 0.6651215241851653
Energy: 0.7929482411910704
Energy: 0.817696569333988
Energy: 0.6651736332816071
Energy: 0.6648734263124383
Energy: 0.6657085529629507
Energy: 0.8243724778032943
Energy: 0.6657827473110725
Energy: 0.8054069845860676
Energy: 0.6697651418817615
Energy: 0.6655067646725473
Energy: 0.7927060656886976
Energy: 0.8325299205184131
Energy: 0.6647603713341957
Energy: 0.6645863056118836
Energy: 0.8339449509453919
Energy: 0.6715436474727603
Energy: 0.664822511194849
Energy: 0.8341498344614319
Energy: 0.8008537318036404
Energy: 0.8000155196196351
Energy: 0.6837485092955461
Energy: 0.8011465668470366
Energy: 0.7982580638162384
Energy: 0.6850345744296084
Energy: 0.8014501759167856
Energy: 0.6849406956129569
Energy: 0.6826701147306924
Energy: 0.8006413881147013
Energy: 0.6821456044759168
Energy: 0.6821099079834436
Energy: 0.8301360927688342
Energy: 0.8310785761705611
Energy: 0.6819550065736593
Energy: 0.7199706084106925
Energy: 0.7224888873553451
Energy: 0.840354146349207
Energy: 0.7184535088612883
Energy: 0.71889808570142
Energy: 0.6676755220534734
Energy: 0.7186800888835693
Energy: 0.6944363834648564
Energy: 0.7681348373390293
Energy: 0.7170833240964478
Energy: 0.7169556192609834
Energy: 0.7703706291859825
Energy: 0.7176751825232102
Energy: 0.7174122201963404
Energy: 0.8612312972744298
Energy: 0.740038271493645
Energy: 0.7386932920890019
Energy: 0.8578223276501311
Energy: 0.713830962850101
Energy: 0.7733321528225189
Energy: 0.7750414579361636
Energy: 0.7398714481324788
Energy: 0.7396911657137715
Energy: 0.7748727283668054
Energy: 0.8667879595302604
Energy: 0.7720366911927826
Energy: 0.7355487042810216
Energy: 0.8940753611284714
Energy: 0.8882433958758896
Energy: 0.7355984595780897
Energy: 0.8907810670842907
Energy: 0.85471610800181
Energy: 0.8584440300233493
Energy: 0.8386423085607446
Energy: 0.7973193756396452
Energy: 0.6915116083948439
Energy: 0.8386271622496607
Energy: 0.7314200709994129
Energy: 0.7704042109137946
Energy: 0.8518583292864699
Energy: 0.8537508395642375
Energy: 0.7703161239164817
Energy: 0.8384187815065386
Energy: 0.8401860245142767
Energy: 0.9045350005553227
Energy: 0.7875924072826066
Energy: 0.78610316970111
Energy: 0.9051575356428818
Energy: 0.6852976261856152
Energy: 0.7852489129684831
Energy: 0.9114230465151774
Energy: 0.8235187643493598
Energy: 0.8975381652710027
Energy: 0.9066400858870562
Energy: 0.7283115303813347
Energy: 0.924366852059577
Energy: 0.7837170228154962
Energy: 0.8368980263895136
Energy: 0.8551911974340517
Energy: 0.7837297731752528
Energy: 0.8381912788173606
Energy: 0.8619390065893789

minimum gb energy = 0.6622836685407285 eV
minimum distance =  2.274666628191 Angstroms
sigma value = 67


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

Energy: 1.1222298599739495
Energy: 1.103349602080981
Energy: 1.0511026195929425
Energy: 0.8517371320640971
Energy: 1.0613836133608991
Energy: 1.0467401706523893
Energy: 1.013941938161254
Energy: 1.0640242998065648
Energy: 1.0799875718899141
Energy: 1.0555805325027983
Energy: 1.0634866886198167
Energy: 1.0680608875505717
Energy: 1.135222444590391
Energy: 0.9598024846475377
Energy: 1.0640322966133444
Energy: 1.0497304968087535
Energy: 0.8821041762188214
Energy: 1.0639066619959894
Energy: 1.0615447655899153
Energy: 1.076821264823094
Energy: 1.075611654314284
Energy: 1.0631423803396112
Energy: 0.9798098500751967
Energy: 1.07631635222683
Energy: 0.9675151734444326
Energy: 1.0632893321654926
Energy: 1.078397007016625
Energy: 0.9678405454846912
Energy: 1.0614908442995585
Energy: 1.0799970034941044
Energy: 0.9453322535930944
Energy: 1.0513475982564122
Energy: 0.9645394357997256
Energy: 0.8841696434863192
Energy: 1.0688465224732697
Energy: 0.9645680778224064
Energy: 0.9671524483391274
Energy: 0.9922658598072588
Energy: 0.9855213430325911
Energy: 0.9677535263173954
Energy: 0.989738373375361
Energy: 0.9859536582679826
Energy: 0.9697871644872432
Energy: 0.8420549372828922
Energy: 0.8775210503829552
Energy: 0.9694907144546073
Energy: 0.8360908624853503
Energy: 0.9682380766853509
Energy: 1.0349240483400528
Energy: 0.9826408853848069
Energy: 0.9883013079565337
Energy: 0.9871938500483478
Energy: 0.8807817486227982
Energy: 0.9929247306315783
Energy: 0.9425952169705305
Energy: 0.8871701711738702
Energy: 0.882428475534046
Energy: 0.9387527103015729
Energy: 0.8851065165314624
Energy: 0.8816579463352285
Energy: 0.9384026821251522
Energy: 0.8815398602719899
Energy: 0.8809463137364787
Energy: 0.8370186356876437
Energy: 1.021399866389423
Energy: 0.881113823756691
Energy: 0.836065933486168
Energy: 0.8807760206567603
Energy: 0.8693674247277094
Energy: 0.835993262597196
Energy: 0.881092827806018
Energy: 0.8355040553950599
Energy: 0.8363719541597473
Energy: 0.8433419743753399
Energy: 0.9872468466511377
Energy: 0.8360378388615272
Energy: 0.8381562028047963
Energy: 0.8349820329628805
Energy: 1.0103244686672597
Energy: 0.8605936298960785
Energy: 0.8728003554131857
Energy: 0.8365467420651389
Energy: 0.8333485496407783
Energy: 0.9859651290575481
Energy: 1.0112649331002483
Energy: 0.84062067621464
Energy: 0.8364522518956996
Energy: 1.013163126530213
Energy: 0.8372067175197185
Energy: 0.8358239148585099
Energy: 1.0135575241028536
Energy: 0.8926641584854088
Energy: 0.9918263799238367
Energy: 0.8835957897394386
Energy: 0.8362029846058677
Energy: 0.884868126638547
Energy: 0.88834826588308
Energy: 0.8319175874691621
Energy: 0.8468250745421337
Energy: 0.8892976044755284
Energy: 0.8251677759470206
Energy: 0.8813885648126979
Energy: 0.8822526146743175
Energy: 1.035007219513168
Energy: 1.0372662323862707
Energy: 0.882755411589416
Energy: 1.031622365672486
Energy: 0.8811342345780117
Energy: 1.0280704091888595
Energy: 0.968204769473848
Energy: 0.9141589135255048
Energy: 0.8500387587269925
Energy: 1.0710706545061222
Energy: 0.9148805322675154
Energy: 0.8818219631262024
Energy: 0.973345154794849
Energy: 0.997177893051499
Energy: 0.8819556069861052
Energy: 0.9709850571644969
Energy: 0.9898634873109129
Energy: 1.0778274695661794
Energy: 1.0043374382764072
Energy: 1.0590022164518635
Energy: 1.0800685267196726
Energy: 0.9008087639876208
Energy: 1.0506715232691994
Energy: 1.134804675415456
Energy: 0.9015193070030207
Energy: 1.0478834819843035
Energy: 1.0582069225276773
Energy: 0.8478998298510173
Energy: 1.038004553439706
Energy: 1.0139803851111764
Energy: 0.9739925142411977
Energy: 0.989447263827711
Energy: 1.016649352320563
Energy: 0.97283509679462
Energy: 1.0707825126696306

minimum gb energy = 0.8251677759470206 eV
minimum distance =  2.26340420290031 Angstroms
sigma value = 33


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

Energy: 1.2991590697399578
Energy: 1.3027513784531686
Energy: 1.290159718917042
Energy: 0.9852234382482634
Energy: 1.0421172275556323
Energy: 1.207720336340251
Energy: 1.1757935946500255
Energy: 1.2263936473903763
Energy: 1.1812663127253678
Energy: 1.1347686151311929
Energy: 1.18211732331522
Energy: 1.2375156546234298
Energy: 1.272030234494539
Energy: 1.1210784536652612
Energy: 1.2171102781773377
Energy: 1.1421673599328495
Energy: 1.120075201872098
Energy: 1.2298711859280718
Energy: 1.2063197693781427
Energy: 1.1903213879523649
Energy: 1.2229962430265278
Energy: 1.1439098230252767
Energy: 1.1709061752696384
Energy: 1.2223956521045545
Energy: 1.1177346563683206
Energy: 1.1293184265476084
Energy: 1.2364982082465938
Energy: 1.1191116143629676
Energy: 1.2327427571963088
Energy: 1.136719401629589
Energy: 1.2232003920976429
Energy: 1.2552307048716462
Energy: 1.1285320222349153
Energy: 1.0281097285065348
Energy: 1.0860399604816717
Energy: 1.0927877572507827
Energy: 1.1177470817777444
Energy: 1.084785806659357
Energy: 1.138034193750141
Energy: 1.1189310787809061
Energy: 1.084911222896936
Energy: 1.1357626733300277
Energy: 1.1177888614533518
Energy: 1.0995589149680127
Energy: 1.0773389419112482
Energy: 1.1187225818563264
Energy: 1.0996600984119935
Energy: 1.1383314625501075
Energy: 1.1983328947612952
Energy: 1.1676376211689121
Energy: 1.175880062312764
Energy: 1.1484629787379368
Energy: 1.0270664174568944
Energy: 1.177678859883659
Energy: 1.2071833932078315
Energy: 1.0272174354463757
Energy: 1.0266313791388095
Energy: 1.03501367246303
Energy: 1.0295255601687414
Energy: 1.0264301138127105
Energy: 1.2065195875455763
Energy: 1.053126359064355
Energy: 1.0647707728686742
Energy: 1.072450183652881
Energy: 1.0274159435588954
Energy: 1.1097721279698003
Energy: 1.0268801015683808
Energy: 1.0942466358774932
Energy: 1.0277038497731175
Energy: 1.0271107208153207
Energy: 1.0393315342837295
Energy: 1.0268397015789585
Energy: 1.0271728303158276
Energy: 1.0818526448736931
Energy: 1.0282316471131812
Energy: 1.0269652681901416
Energy: 1.115068344264224
Energy: 1.0270813747031837
Energy: 1.0255882666198215
Energy: 1.0954467639196277
Energy: 1.1448610278652405
Energy: 1.0030780301160607
Energy: 1.167948865665941
Energy: 1.0260310472599041
Energy: 0.9656224973548508
Energy: 1.1292337423891032
Energy: 1.1244390449127082
Energy: 0.968545432560972
Energy: 1.1261644015641301
Energy: 1.124361142651492
Energy: 1.1856152477373763
Energy: 1.2013875297283034
Energy: 1.205643676066646
Energy: 1.1486184197434173
Energy: 1.0244483609041306
Energy: 1.141176763344333
Energy: 1.2401161700572831
Energy: 1.0630822687781671
Energy: 1.064928863921456
Energy: 1.2397897680638101
Energy: 1.065102474685931
Energy: 1.2022186091966467
Energy: 1.2390413032075673
Energy: 1.1240568026871254
Energy: 1.1233234126563856
Energy: 1.2387959793697443
Energy: 1.2354870563100804
Energy: 1.2222727359307384
Energy: 1.1979295462898327
Energy: 1.2685835509714662
Energy: 1.0273429903227607
Energy: 0.973807321922209
Energy: 1.2885748552640617
Energy: 1.1059387679381967
Energy: 1.109655076377582
Energy: 1.2372732048291253
Energy: 1.235309434623978
Energy: 1.112755907277479
Energy: 1.2398652420543563
Energy: 1.2835106431977825
Energy: 1.2418005896979083
Energy: 1.190684830597607
Energy: 1.2296083609170823
Energy: 1.239798535589593
Energy: 1.1387034879077471
Energy: 1.2225563988654784
Energy: 1.1848273889944516
Energy: 1.1209475554592594
Energy: 1.2167899459781515
Energy: 1.1328080221270036
Energy: 1.1242655465248592
Energy: 1.2297217979159571
Energy: 1.1199475699936607
Energy: 1.2352301492535962
Energy: 1.2351321055123474
Energy: 1.1197612997150383
Energy: 1.2383712184164524
Energy: 1.23681659050964
Energy: 1.1540238996691965
Energy: 1.2957049104865392
Energy: 1.092324831709203
Energy: 1.0239651144202173
Energy: 1.2944246330762306
Energy: 1.0957228082092803
Energy: 1.120494277933107
Energy: 1.2239194490403489
Energy: 1.1152349439834346
Energy: 1.1206766989181647
Energy: 1.2233673510035497
Energy: 1.1387364293559272
Energy: 1.1301364560165135
Energy: 1.0938479773437344
Energy: 1.078748734084209
Energy: 1.1194444870097875
Energy: 1.0867749223769885
Energy: 1.1418813720998187
Energy: 1.2021362422124917
Energy: 1.0647645507222632
Energy: 1.1631600944207419
Energy: 1.1792546189318542
Energy: 1.0818397051662914
Energy: 1.18801000324294
Energy: 1.2035728048799397
Energy: 1.026943096306772
Energy: 1.0265087436843199
Energy: 1.2077278233905338
Energy: 1.0303856397570732
Energy: 1.0265505264764567
Energy: 1.2046112857879876
Energy: 1.0290281381268958
Energy: 1.110687539154345
Energy: 1.0612385481952853
Energy: 1.0271135447733644
Energy: 1.0650020212771318
Energy: 1.0240168550927888
Energy: 1.1003218538943809
Energy: 1.0289562229602356
Energy: 1.025135460910867
Energy: 1.034782396271527
Energy: 1.024233697688187
Energy: 1.0250620704388786
Energy: 1.104247408191573
Energy: 1.0253197278084898
Energy: 1.0254022309658415
Energy: 1.0915903940895064
Energy: 1.0243821595224765
Energy: 1.0246713405577403
Energy: 1.133976463192884
Energy: 1.129365655237136
Energy: 1.0025329813769859
Energy: 1.0910570173822232
Energy: 1.0258175933018916
Energy: 1.0188380786628088
Energy: 1.115370684006456
Energy: 1.1242623550285833
Energy: 1.024455322812521
Energy: 1.1182019274611292
Energy: 1.0305251957471373
Energy: 1.18620998366386
Energy: 1.028541803577814
Energy: 1.1028331934695894
Energy: 1.190803104623294
Energy: 1.0247036354907775
Energy: 1.1646930014469419
Energy: 1.2829698676150993
Energy: 1.0630210884114426
Energy: 1.097983595821662
Energy: 1.1859423580160304
Energy: 1.0046280820023137
Energy: 1.1949784438976498
Energy: 1.2950039112982676
Energy: 1.1148357666039332
Energy: 1.173038073674054
Energy: 1.1350165655349673
Energy: 1.0649438151153234
Energy: 1.2273293315183438
Energy: 1.2389023758671376
Energy: 1.0699864424470502
Energy: 1.2194326468476773
Energy: 0.979693294751741
Energy: 1.020726188002578
Energy: 1.1712538101829546

minimum gb energy = 0.9656224973548508 eV
minimum distance =  2.25457093975186 Angstroms
sigma value = 41


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

Energy: 1.3991695004915308
Energy: 1.110246825236225
Energy: 1.1107407753991008
Energy: 1.1143311186500267
Energy: 1.1481652121107593
Energy: 1.1077124698910887
Energy: 1.1981699769733352
Energy: 1.2871757503511951
Energy: 1.233567711274339
Energy: 1.2647158073719837
Energy: 1.1745802641590775
Energy: 1.2279711531699928
Energy: 1.3685627716959041
Energy: 1.1410044771207914
Energy: 1.107510093990223
Energy: 1.147558828209701
Energy: 1.1456629593123087
Energy: 1.141522997720863
Energy: 1.1690765714166975
Energy: 1.142569736498224
Energy: 1.108306587540705
Energy: 1.14914099457657
Energy: 1.1472331943551668
Energy: 1.146916202109907
Energy: 1.1454668693427286
Energy: 1.1469824766481866
Energy: 1.1112842765916056
Energy: 1.1481424932424338
Energy: 1.1713872524969267
Energy: 1.1117333655860786
Energy: 1.2120770608295988
Energy: 1.1504247147989566
Energy: 1.1119737121310467
Energy: 1.1139998983913513
Energy: 1.1639532176622893
Energy: 1.1113154611675085
Energy: 1.1456054223011287
Energy: 1.2313560262796317
Energy: 1.1145684799979945
Energy: 1.14595602971586
Energy: 1.2295940468137248
Energy: 1.1146060881020452
Energy: 1.1485071866033654
Energy: 1.1116997446755301
Energy: 1.1126981681462598
Energy: 1.149958877169061
Energy: 1.1745448848600855
Energy: 1.14579556654777
Energy: 1.2846239069526335
Energy: 1.1142665694681855
Energy: 1.1104719761585025
Energy: 1.0904302515760422
Energy: 1.1629869732893685
Energy: 1.1097748151240658
Energy: 1.2128767772164828
Energy: 1.154179409399016
Energy: 1.1169889251136902
Energy: 1.1172342450773112
Energy: 1.146777024742097
Energy: 1.1106576114786793
Energy: 1.3004893293332782
Energy: 1.1176724850136714
Energy: 1.1335830257274122
Energy: 1.2313341098779809
Energy: 1.0866733113844096
Energy: 1.2264402754350838
Energy: 1.3590596025179233
Energy: 1.086482806506123
Energy: 1.0864289887739935
Energy: 1.3582795519718642
Energy: 1.0864557559747086
Energy: 1.165663759228102
Energy: 1.3701252854521642
Energy: 1.1103055020607264
Energy: 1.1337508430553547
Energy: 1.1728389350057573
Energy: 1.2690392810248439
Energy: 1.2299987308324698
Energy: 1.088425009676186
Energy: 1.1483652888203875
Energy: 1.0872485179159999
Energy: 1.0924042792181223
Energy: 1.1467304783716372
Energy: 1.087123672749483

minimum gb energy = 1.0864289887739935 eV
minimum distance =  2.30656201417466 Angstroms
sigma value = 11


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

Energy: 1.9309757818777675
Energy: 1.341209165443848
Energy: 1.3712524337127892
Energy: 1.3611333765543485
Energy: 1.4831903902974557
Energy: 1.361429002532575
Energy: 1.433086150254872
Energy: 1.3116481358609606
Energy: 1.3326104757047574
Energy: 1.3636611473999007
Energy: 1.3107882471901264
Energy: 1.2889048903248899
Energy: 1.4918224491310528
Energy: 1.3182982562477519
Energy: 1.3234711278268647
Energy: 1.426188606989934
Energy: 1.3177697059676037
Energy: 1.3297977288058067
Energy: 1.3969319439211287
Energy: 1.2835350658976254
Energy: 1.2889734985503964
Energy: 1.3446575769791587
Energy: 1.2835587439954377
Energy: 1.2904932331511803
Energy: 1.3616731999930414
Energy: 1.3122227777915183
Energy: 1.3066526832929886
Energy: 1.3416542289968634
Energy: 1.3103616327234175
Energy: 1.3519268632273556
Energy: 1.4066226673862583
Energy: 1.3190085668338867
Energy: 1.3286003684381034
Energy: 1.3463814455629302
Energy: 1.307869489696068
Energy: 1.3297241983173913
Energy: 1.314188430199238
Energy: 1.32954799208864
Energy: 1.3301580716789407
Energy: 1.314519283157376
Energy: 1.3299562166951722
Energy: 1.3089619039643328
Energy: 1.31421108755898
Energy: 1.3513471578265537
Energy: 1.3433951873076204
Energy: 1.309111739998067
Energy: 1.3651775068453689
Energy: 1.3337561676989236
Energy: 1.3001697248620045
Energy: 1.342539045925493
Energy: 1.3276386228624228
Energy: 1.2748749605943905
Energy: 1.343376788471846
Energy: 1.2887054074268691
Energy: 1.3253730397166796
Energy: 1.3434169297409408
Energy: 1.3266696254937016
Energy: 1.275990692417709
Energy: 1.3427110806326004
Energy: 1.289310757924257
Energy: 1.31415040156095
Energy: 1.3210611395923437
Energy: 1.3441826562744905
Energy: 1.3085588147647558
Energy: 1.3330092439689987
Energy: 1.3347866422534294
Energy: 1.3058273247127898
Energy: 1.2988211348015526
Energy: 1.3385198558211342
Energy: 1.3073286199138106
Energy: 1.3387851842415999
Energy: 1.3463366923899578
Energy: 1.3023737606222194
Energy: 1.3381507484197568
Energy: 1.337154918814922
Energy: 1.3029797308411684
Energy: 1.3535066140269525
Energy: 1.3312992647753947
Energy: 1.3555454777175233
Energy: 1.3403475477563576
Energy: 1.3423889015750774
Energy: 1.324614658838383
Energy: 1.3722897024957887
Energy: 1.3414701027266183
Energy: 1.2883092631282689
Energy: 1.3375709354276566
Energy: 1.3357248546142468
Energy: 1.305972328677153
Energy: 1.3369743164105874
Energy: 1.2891137139062496
Energy: 1.2899228828119829
Energy: 1.3377399698080878
Energy: 1.3347975151792444
Energy: 1.2913106359648032
Energy: 1.339055684486764
Energy: 1.2900719192167447
Energy: 1.2869564900024368
Energy: 1.3360993007376345
Energy: 1.3328845443496102
Energy: 1.3080542511394426
Energy: 1.3284070407477555
Energy: 1.3085184308081357
Energy: 1.4573644230474296
Energy: 1.3520077253863418
Energy: 1.3549373754553862
Energy: 1.3221222421038077
Energy: 1.3571003130254482
Energy: 1.3213886848576126
Energy: 1.333317858653894
Energy: 1.3416380700850976
Energy: 1.338269264967877
Energy: 1.336727305855319
Energy: 1.3397313980977594
Energy: 1.3361997609966585
Energy: 1.3630321988651029
Energy: 1.2845327489335647
Energy: 1.286875466804293
Energy: 1.3257478594562055
Energy: 1.2841879866502837
Energy: 1.3371637284472317
Energy: 1.387262287382905
Energy: 1.2841752265747248
Energy: 1.3182203999298272
Energy: 1.3277284873124109
Energy: 1.2851938875651518
Energy: 1.3379062190324054
Energy: 1.3110717496997932
Energy: 1.3422592646492797
Energy: 1.3412792327800493
Energy: 1.3373481760838
Energy: 1.3269626472296145
Energy: 1.3430763816445166
Energy: 1.302980694961644
Energy: 1.330991585988052
Energy: 1.2876569038237882
Energy: 1.315606411251862
Energy: 1.3268029355494668
Energy: 1.2882162400819344
Energy: 1.3875923116230862
Energy: 1.3440223059605239
Energy: 1.328860838026111
Energy: 1.3412583112405128
Energy: 1.337163300717642
Energy: 1.3368085576538968
Energy: 1.389152363244575
Energy: 1.3302855775515814
Energy: 1.3311117596584687
Energy: 1.39013646667821
Energy: 1.3266285123760606
Energy: 1.331495395168646
Energy: 1.4098879336558885
Energy: 1.317892991037282
Energy: 1.3054333978595647
Energy: 1.33897573583542
Energy: 1.3177855169985615
Energy: 1.327531588017722
Energy: 1.3962613858765167
Energy: 1.2888671412921588
Energy: 1.2897677666557128
Energy: 1.339773965393563
Energy: 1.290687171865668
Energy: 1.2893255600236644
Energy: 1.3851494173957908
Energy: 1.3015089140063245
Energy: 1.290109446774689
Energy: 1.3370012385731591
Energy: 1.3050689051867366
Energy: 1.3349540532202615
Energy: 1.4921432231536065
Energy: 1.3314093895053105
Energy: 1.334042389779552
Energy: 1.4919881593403084
Energy: 1.3137855188248766
Energy: 1.3329798256214176
Energy: 1.491115379844898
Energy: 1.3187554840503608
Energy: 1.2893442768956247
Energy: 1.3384158227643512
Energy: 1.3045583878732674
Energy: 1.33426675852085
Energy: 1.37840815219786
Energy: 1.3135232207159815
Energy: 1.333692943579681
Energy: 1.2817208278181096
Energy: 1.310404178791392
Energy: 1.2763734562952052

minimum gb energy = 1.2748749605943905 eV
minimum distance =  2.28191958442123 Angstroms
sigma value = 57


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

Energy: 1.72205893172747
Energy: 1.4659225461200744
Energy: 1.466407259537305
Energy: 1.465389654010135
Energy: 1.8473016609002681
Energy: 1.4704253269350873
Energy: 1.305100545107113
Energy: 1.3552188141142385
Energy: 1.3571393481944656
Energy: 1.3570986839391466
Energy: 1.3541844876018656
Energy: 1.359837073426451
Energy: 1.4075855907167185
Energy: 1.3835266530030854
Energy: 1.4010868460304509
Energy: 1.3982536852143266
Energy: 1.3859197469353974
Energy: 1.3577978937060664
Energy: 1.3359707827659995
Energy: 1.3604643703424062
Energy: 1.3585865433366136
Energy: 1.3502204137494629
Energy: 1.3310262586413009
Energy: 1.3564553679377969
Energy: 1.348161030616351
Energy: 1.3604094471229977
Energy: 1.3589013888978831
Energy: 1.355600537829806
Energy: 1.3547172953715543
Energy: 1.3585556280694386
Energy: 1.4010143990754946
Energy: 1.4106921154065792
Energy: 1.41195706018416
Energy: 1.3579947506290844
Energy: 1.4183960672974991
Energy: 1.4140270405713342
Energy: 1.4100606043211452
Energy: 1.35812298663707
Energy: 1.3605124207990063
Energy: 1.4109804265095687
Energy: 1.349433908866173
Energy: 1.4244823387943697
Energy: 1.4058117205547696
Energy: 1.358611554068361
Energy: 1.3596760428368762
Energy: 1.3503995057888571
Energy: 1.3535346642572772
Energy: 1.3576356888140102
Energy: 1.3054513816412197
Energy: 1.359095725475304
Energy: 1.4613194470293545
Energy: 1.3126951726861567
Energy: 1.3536766037323078
Energy: 1.3314296160969037
Energy: 1.3059026769777071
Energy: 1.359444999106807
Energy: 1.3353655760013994
Energy: 1.310453695345408
Energy: 1.404494293156831
Energy: 1.3317686419695467
Energy: 1.4047867860139043
Energy: 1.35732165593954
Energy: 1.3611487397132298
Energy: 1.3499297562117663
Energy: 1.354912179982898
Energy: 1.3577238592269483
Energy: 1.3994921670906446
Energy: 1.4087292620307157
Energy: 1.411239393859718
Energy: 1.3966242578420232
Energy: 1.4099623570837994
Energy: 1.4114321219923531
Energy: 1.3517294616799325
Energy: 1.3577950398165357
Energy: 1.357564602939403
Energy: 1.3568548303219299
Energy: 1.3533860847763417
Energy: 1.3574687054871375
Energy: 1.4051012535243754
Energy: 1.4113477483389036
Energy: 1.4118034517478915
Energy: 1.3539863852655132
Energy: 1.4150488593089137
Energy: 1.355662111565683
Energy: 1.352296895899122
Energy: 1.3049082867857227
Energy: 1.3585171025680252
Energy: 1.385517666913322
Energy: 1.3284470271856674
Energy: 1.3589032613814995
Energy: 1.407291428331654
Energy: 1.3297800228274583
Energy: 1.3064598356076726
Energy: 1.3988699079790712
Energy: 1.3538147217294147
Energy: 1.3590148798864774
Energy: 1.3051428268104759
Energy: 1.3542109602087828
Energy: 1.3554874419875769
Energy: 1.3271666643740223
Energy: 1.3545067661836916
Energy: 1.3574055738678956

minimum gb energy = 1.3049082867857227 eV
minimum distance =  2.28397103121489 Angstroms
sigma value = 9


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

Energy: 2.0802838983972762
Energy: 1.5512573446094835
Energy: 1.4378404226109445
Energy: 1.4354889456352578
Energy: 1.467493307581766
Energy: 1.435501553770628
Energy: 1.5955415135275375
Energy: 1.4032171377661165
Energy: 1.4002506987844765
Energy: 1.3922495125631724
Energy: 1.3925416522921719
Energy: 1.3992727227843147
Energy: 1.514719233875843
Energy: 1.4322828393408584
Energy: 1.4006592189310691
Energy: 1.4051732915459287
Energy: 1.4355523966208639
Energy: 1.4009695092703045
Energy: 1.4534533367381424
Energy: 1.4039071054475958
Energy: 1.4043847892978538
Energy: 1.4170361616050346
Energy: 1.4037045733208169
Energy: 1.4139754767447676
Energy: 1.4215528434853144
Energy: 1.3890658042593444
Energy: 1.3854904266902235
Energy: 1.3840726338104234
Energy: 1.3957293989378206
Energy: 1.3848537409400612
Energy: 1.4301544938513007
Energy: 1.4034194945980707
Energy: 1.4036497042541711
Energy: 1.3962382413534407
Energy: 1.4006541460561563
Energy: 1.403508707227595
Energy: 1.4316021459747887
Energy: 1.4594899122300369
Energy: 1.4013639531251736
Energy: 1.3943178262550038
Energy: 1.461963353079773
Energy: 1.4021051185994335
Energy: 1.474086984052461
Energy: 1.40828677880202
Energy: 1.3960854254831627
Energy: 1.3879977171905682
Energy: 1.4217106661468384
Energy: 1.3950892529755372
Energy: 1.5807172433539476
Energy: 1.3895101551597975
Energy: 1.3868365924336699
Energy: 1.4009692713702082
Energy: 1.395652551960577
Energy: 1.3986418197247372
Energy: 1.581220323567578
Energy: 1.3909963257843931
Energy: 1.3884382958249464
Energy: 1.4026753119072288
Energy: 1.389810075703917
Energy: 1.3880223988780054
Energy: 1.474077239889956
Energy: 1.3847418663473892
Energy: 1.383641386171836
Energy: 1.390569940068962
Energy: 1.3844844521096027
Energy: 1.383904401570014
Energy: 1.4726146572045273
Energy: 1.400034951059928
Energy: 1.3982227417359552
Energy: 1.3899929107843314
Energy: 1.4033270710739945
Energy: 1.3851496837168806
Energy: 1.5733958287367544
Energy: 1.3996091431794822
Energy: 1.3998580441906316
Energy: 1.3630005783630723
Energy: 1.3979831503020075
Energy: 1.3627270421353777
Energy: 1.6196444170601205
Energy: 1.4097245960661036
Energy: 1.4104659047275099
Energy: 1.401353067857483
Energy: 1.4075190600641077
Energy: 1.4093239976307208
Energy: 1.47163795894725
Energy: 1.3817758783026866
Energy: 1.381616340177666
Energy: 1.3913287140484223
Energy: 1.3811804925265396
Energy: 1.3885286269330834
Energy: 1.4533677904228355
Energy: 1.3966681359997706
Energy: 1.3822886555576857
Energy: 1.4322747182680486
Energy: 1.4360495932131947
Energy: 1.4674436562030284
Energy: 1.5019722459978162
Energy: 1.4144364247613124
Energy: 1.41162396637768
Energy: 1.4062244932898191
Energy: 1.41510179924958
Energy: 1.4112495501369473
Energy: 1.5009008758391231
Energy: 1.4439951308573256
Energy: 1.4400683615659202
Energy: 1.438036175357008
Energy: 1.4500197607893164
Energy: 1.4386484820497953
Energy: 1.5123040520011053
Energy: 1.4051378608730096
Energy: 1.403079731599493
Energy: 1.3849470074210684
Energy: 1.4067934743018768
Energy: 1.4025118144518676
Energy: 1.5158610612634973
Energy: 1.4066031111425719
Energy: 1.4045244309268075
Energy: 1.4057641721086283
Energy: 1.3924913839815323
Energy: 1.403944058187072
Energy: 1.5561691099933703
Energy: 1.3859554072012374
Energy: 1.3866313843124813
Energy: 1.416027548337831
Energy: 1.3946884051521276
Energy: 1.385644247441493

minimum gb energy = 1.3627270421353777 eV
minimum distance =  2.21522737513552 Angstroms
sigma value = 27


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

Energy: 1.4869756217763987
Energy: 1.3538663347352469
Energy: 1.324233089827369
Energy: 1.3190660845896789
Energy: 1.9595777967091992
Energy: 1.3215580336393398
Energy: 1.3867947698488567
Energy: 1.3599221953993386
Energy: 1.3599552893620028
Energy: 1.3595954261741963
Energy: 1.3639204110685441
Energy: 1.3597911565575738
Energy: 1.4884677679644487
Energy: 1.3695516812181558
Energy: 1.332923166227892
Energy: 1.3569680359946399
Energy: 1.3196669044206573
Energy: 1.3551948896609431
Energy: 1.471521685030283
Energy: 1.3420954286292999
Energy: 1.3406101115191758
Energy: 1.3405279929100582
Energy: 1.3368713932809746
Energy: 1.3395947556389332
Energy: 1.3193294269365612
Energy: 1.3318836001647134
Energy: 1.3327646590838147
Energy: 1.3191152545620957
Energy: 1.333108922122679
Energy: 1.3334110254163893
Energy: 1.4055753136667595
Energy: 1.3321998171837897
Energy: 1.3322024371285177
Energy: 1.3324090667488968
Energy: 1.3341126445096718
Energy: 1.3329875146588295
Energy: 1.4741681922109866
Energy: 1.2705590071608088
Energy: 1.271674978340362
Energy: 1.333880182644691
Energy: 1.2685193203782115
Energy: 1.2726683737301203
Energy: 1.4612916062623098
Energy: 1.2673500774886624
Energy: 1.334409881700103
Energy: 1.3492610302972816
Energy: 1.266945290967748
Energy: 1.3349373666354165
Energy: 1.609590305128133
Energy: 1.3342738350815424
Energy: 1.3382333866107876
Energy: 1.3330087515266378
Energy: 1.3343332505264622
Energy: 1.3342180094336704
Energy: 1.6107582683288102
Energy: 1.3624343627554827
Energy: 1.3634019392530334
Energy: 1.3591631224847365
Energy: 1.3590603176022684
Energy: 1.3595175666705404
Energy: 1.4651600686946278
Energy: 1.3569589176734038
Energy: 1.3481112675532883
Energy: 1.3727242577143388
Energy: 1.337202283873498
Energy: 1.3333585702824184
Energy: 1.4998004415065218
Energy: 1.343263259980214
Energy: 1.341936127448943
Energy: 1.3448394002383104
Energy: 1.342289192848805
Energy: 1.342705727508305
Energy: 1.2648725892486914
Energy: 1.343732726121762
Energy: 1.2678635010171608
Energy: 1.2684797436652442
Energy: 1.345460985324462
Energy: 1.2676980044901154
Energy: 1.2658455819760364
Energy: 1.3417629414913073
Energy: 1.3421787282411313
Energy: 1.266713925833702
Energy: 1.3447718201027437
Energy: 1.2675461268922674
Energy: 1.500369292956111
Energy: 1.3406162680761926
Energy: 1.342639376137375
Energy: 1.3438275537598554
Energy: 1.3400811194175068
Energy: 1.3469581309224652
Energy: 1.475213601615733
Energy: 1.3575488790802834
Energy: 1.3588488997196313
Energy: 1.377745958512497
Energy: 1.3588762223933606
Energy: 1.3605220717401652
Energy: 1.3196765183650807
Energy: 1.3660961462881176
Energy: 1.3628203110225208
Energy: 1.3381797738417442
Energy: 1.3615276812077612
Energy: 1.3613043469766932
Energy: 1.3948483355720178
Energy: 1.3335802610549676
Energy: 1.3385897208325335
Energy: 1.3350510054822746
Energy: 1.333469273552123
Energy: 1.3344717521393814
Energy: 1.4622640010233776
Energy: 1.2666777359683365
Energy: 1.2669919548650848
Energy: 1.3599097322061606
Energy: 1.2673102008339916
Energy: 1.2679405589480521
Energy: 1.4728279370989408
Energy: 1.2666763371115966
Energy: 1.2669954997450974
Energy: 1.3301253445699486
Energy: 1.267375054647185
Energy: 1.2680512613129327
Energy: 1.5974694970124297
Energy: 1.3340868279128264
Energy: 1.3362099064603308
Energy: 1.33428729001187
Energy: 1.334088050421032
Energy: 1.3363900852902844
Energy: 1.323139005426504
Energy: 1.3745640378203012
Energy: 1.378180067302366
Energy: 1.3202840580472701
Energy: 1.3734132431559791
Energy: 1.3412674481750462
Energy: 1.488741051294406
Energy: 1.3781824470447146
Energy: 1.3788321243870003
Energy: 1.3872050193325545
Energy: 1.3778761534334731
Energy: 1.3874060743725956
Energy: 1.5590520514408894
Energy: 1.3587703356295315
Energy: 1.356062652276878
Energy: 1.3624865125427545
Energy: 1.360617453334549
Energy: 1.3547472881167049
Energy: 1.3816804917131966
Energy: 1.4128977506387446
Energy: 1.4117226205956106
Energy: 1.321087756696158
Energy: 1.4188404116573923
Energy: 1.3212380176136613

minimum gb energy = 1.2648725892486914 eV
minimum distance =  2.21657589166836 Angstroms
sigma value = 19


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

Energy: 2.0100218204209694
Energy: 1.2753727009226337
Energy: 1.2792901922695064
Energy: 1.3002413490238138
Energy: 1.3572313638248348
Energy: 1.2794613076720425
Energy: 1.5255677753547672
Energy: 1.2968413409301824
Energy: 1.2974684722285925
Energy: 1.2939813772542623
Energy: 1.3491434325382914
Energy: 1.2968924022479973
Energy: 1.4633803693790963
Energy: 1.2977200124377775
Energy: 1.3006210836973406
Energy: 1.2954923824323687
Energy: 1.2961731834765333
Energy: 1.29754375415872
Energy: 1.3926444112579406
Energy: 1.2965503920764776
Energy: 1.297948205951711
Energy: 1.333799573550784
Energy: 1.2955035731884783
Energy: 1.299187423500449
Energy: 1.305191501286486
Energy: 1.297192732857919
Energy: 1.2960198744913296
Energy: 1.3031309669849178
Energy: 1.2960274216248469
Energy: 1.2983882614684839
Energy: 1.3420982895594271
Energy: 1.2994720822646009
Energy: 1.2997069827383618
Energy: 1.3147375828100292
Energy: 1.3016681227375322
Energy: 1.2977669492814552
Energy: 1.313239120501224
Energy: 1.2838949028787174
Energy: 1.321629197765278
Energy: 1.295946014985602
Energy: 1.2835855051040228
Energy: 1.3198529572364075
Energy: 1.3397773213663857
Energy: 1.2892472711523826
Energy: 1.2966548548636734
Energy: 1.3685102792739352
Energy: 1.2881191986003642
Energy: 1.2971016473745367
Energy: 1.2889072303295421
Energy: 1.2979955312804858
Energy: 1.2973081055998759
Energy: 1.294417768426719
Energy: 1.2991809230667803
Energy: 1.2964736276713287
Energy: 1.2903244892879349
Energy: 1.2945210419051607
Energy: 1.2975870678524215
Energy: 1.2950560814407772
Energy: 1.2973348143309404
Energy: 1.299322167860843
Energy: 1.4809663626184804
Energy: 1.277347172379768
Energy: 1.2801931135268645
Energy: 1.287490759123785
Energy: 1.2753273573278352
Energy: 1.2760774580349314
Energy: 1.4917256850107226
Energy: 1.2754481034107366
Energy: 1.2765993048533149
Energy: 1.276903799004442
Energy: 1.273974682070794
Energy: 1.2775379959817776
Energy: 1.364321290388438
Energy: 1.2784251139893117
Energy: 1.3020289284190936
Energy: 1.264064638587373
Energy: 1.3209736421273488
Energy: 1.2722004893696528
Energy: 1.4467725548949686
Energy: 1.295106190598547
Energy: 1.2945272844460098
Energy: 1.2675106688400577
Energy: 1.3453447246477426
Energy: 1.297485083730568
Energy: 1.4611434232836034
Energy: 1.2743538801002205
Energy: 1.2752059721291673
Energy: 1.2767746144932877
Energy: 1.2735623272074128
Energy: 1.2760056532097455
Energy: 1.474213171142981
Energy: 1.276476641037212
Energy: 1.2772336802660957
Energy: 1.2769355325536325
Energy: 1.2874235409808632
Energy: 1.27774614609611
Energy: 1.3286045955367671
Energy: 1.2957449612406626
Energy: 1.3116598418806356
Energy: 1.2691883962908648
Energy: 1.3608616649313845
Energy: 1.3113110995086286
Energy: 1.4065740569622251
Energy: 1.2757077250201692
Energy: 1.2763511618893166
Energy: 1.2657100815830002
Energy: 1.2754367829163087
Energy: 1.2767618875435114
Energy: 1.422585774119981
Energy: 1.268045868183451
Energy: 1.268929287448344
Energy: 1.3596653180230414
Energy: 1.2670852620211308
Energy: 1.276222734420477
Energy: 1.3808430713077056
Energy: 1.267987439551005
Energy: 1.2688758820931472
Energy: 1.280665468175139
Energy: 1.267086739694194
Energy: 1.2759463895006724
Energy: 1.2820993133935672
Energy: 1.275841768582965
Energy: 1.2761115091917812
Energy: 1.2751834156358273
Energy: 1.2760415728040482
Energy: 1.2762968817617601
Energy: 1.26696467545259
Energy: 1.2780119761733022
Energy: 1.2775599353734852
Energy: 1.2736842308347034
Energy: 1.2777097576387393
Energy: 1.2765489199214497
Energy: 1.4357545238339593
Energy: 1.2640318704142914
Energy: 1.2622691708194511
Energy: 1.3599434485016129
Energy: 1.262187312948113
Energy: 1.3327590815899806
Energy: 1.423077928124153
Energy: 1.2616174522822214
Energy: 1.2786637572823927
Energy: 1.3805006635286197
Energy: 1.2605197493640399
Energy: 1.2763495383817536
Energy: 1.3697752606327867
Energy: 1.2763700274552288
Energy: 1.2762892094364577
Energy: 1.2731841858330994
Energy: 1.276199172762263
Energy: 1.2757567370179361
Energy: 1.3183074147241436
Energy: 1.2967998982151436
Energy: 1.297567666194627
Energy: 1.2867038231923327
Energy: 1.2967444889946047
Energy: 1.2769469470449615
Energy: 1.46342009472635
Energy: 1.2969705552649766
Energy: 1.2979005265252461
Energy: 1.2969699490135864
Energy: 1.2954712418490386
Energy: 1.2973566468448245
Energy: 1.4632464269146268
Energy: 1.2958842474717194
Energy: 1.296650735201043
Energy: 1.2990184443627224
Energy: 1.2949523940963776
Energy: 1.2974009910650761
Energy: 1.3986347400363905
Energy: 1.295360238508023
Energy: 1.2974358301054183
Energy: 1.2576804633664493
Energy: 1.396890742962156
Energy: 1.2703177087334199

minimum gb energy = 1.2576804633664493 eV
minimum distance =  2.20914239703286 Angstroms
sigma value = 101


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

Energy: 1.8274358037094462
Energy: 1.2379791711540111
Energy: 1.2374206801729062
Energy: 1.2772029206952844
Energy: 1.2276810751036378
Energy: 1.1964251848371825
Energy: 1.4449876640958652
Energy: 1.2576716033452582
Energy: 1.230909306883052
Energy: 1.2293402953601753
Energy: 1.2418604027153508
Energy: 1.2331271501494274
Energy: 1.4575538831146095
Energy: 1.2335681453779972
Energy: 1.238710265314231
Energy: 1.2791595684385446
Energy: 1.2297379517189646
Energy: 1.228654425785287
Energy: 1.3101938259322767
Energy: 1.2307275295388342
Energy: 1.2322886857524566
Energy: 1.2308330910076704
Energy: 1.2294182447194235
Energy: 1.2329187867131084
Energy: 1.2378831075082801
Energy: 1.2749297042313206
Energy: 1.2307831970019674
Energy: 1.2370260074250012
Energy: 1.2740969961276012
Energy: 1.2458860479796088
Energy: 1.2641543993196207
Energy: 1.2318153947548993
Energy: 1.2585373812864498
Energy: 1.2399859731962277
Energy: 1.2360556879424784
Energy: 1.2317041720843351
Energy: 1.2647769458543239
Energy: 1.2230099596698576
Energy: 1.216929622263632
Energy: 1.288044255353274
Energy: 1.219307529446178
Energy: 1.216711850580308
Energy: 1.2207157283201968
Energy: 1.2327508148662463
Energy: 1.23400500551722
Energy: 1.2316520441116119
Energy: 1.217231053573413
Energy: 1.232734572651112
Energy: 1.2210122916918278
Energy: 1.2303650565229771
Energy: 1.2299792268291874
Energy: 1.2308782630728519
Energy: 1.2305741379129291
Energy: 1.2430797201705195
Energy: 1.219649246816285
Energy: 1.232272938518002
Energy: 1.2322898496770758
Energy: 1.2285635204444825
Energy: 1.229827747104338
Energy: 1.2315155894605019
Energy: 1.4261660473672473
Energy: 1.208250628151623
Energy: 1.2128896669822666
Energy: 1.2736444298734437
Energy: 1.2062543012700127
Energy: 1.2033814103775453
Energy: 1.4539206342646895
Energy: 1.2276771956312342
Energy: 1.2286062497019548
Energy: 1.229274033567504
Energy: 1.2247898565769444
Energy: 1.2294228484667291
Energy: 1.2689869550470327
Energy: 1.2302330478416121
Energy: 1.257683871156304
Energy: 1.2160337328248008
Energy: 1.2812399943689825
Energy: 1.2322694039937916
Energy: 1.3067243087370797
Energy: 1.230191332185923
Energy: 1.227865871532274
Energy: 1.2161389998486511
Energy: 1.2592999171421857
Energy: 1.2277025786578046
Energy: 1.4585378479771343
Energy: 1.2303518699006764
Energy: 1.2360663840073007
Energy: 1.2299722305185061
Energy: 1.2267449398180448
Energy: 1.2303702684217304
Energy: 1.457114239168153
Energy: 1.2315922307780995
Energy: 1.2322446555962634
Energy: 1.2571890808944217
Energy: 1.2427539128810918
Energy: 1.233791117735661
Energy: 1.2930622881323168
Energy: 1.2855468049172472
Energy: 1.2392901466398878
Energy: 1.1921159135561206
Energy: 1.2355531980250938
Energy: 1.1904737643993335
Energy: 1.4502078612518448
Energy: 1.231596045430574
Energy: 1.2308357997738635
Energy: 1.23658883822978
Energy: 1.2777215338632375
Energy: 1.2386711666393027
Energy: 1.4935212994783527
Energy: 1.230059217472215
Energy: 1.2311400435496038
Energy: 1.2300469789034618
Energy: 1.229085079525202
Energy: 1.2314200993069748
Energy: 1.4233609279056247
Energy: 1.230664038665445
Energy: 1.2321621212335407
Energy: 1.2312663323374753
Energy: 1.2292026913561007
Energy: 1.2333899227508074
Energy: 1.2374234953833982
Energy: 1.2312043495575131
Energy: 1.2307526719421542
Energy: 1.240853453682802
Energy: 1.228363781152998
Energy: 1.237064895213125
Energy: 1.3096288983596187
Energy: 1.2362043219529304
Energy: 1.2356320256219226
Energy: 1.2411746756401214
Energy: 1.231538603862148
Energy: 1.234641781193556
Energy: 1.2638839996957614
Energy: 1.2228518203619736
Energy: 1.2198611851247292
Energy: 1.2274164952114794
Energy: 1.2190570507710252
Energy: 1.248834629711219
Energy: 1.2212460367371556
Energy: 1.217987221595036
Energy: 1.2183198786572496
Energy: 1.266090086715812
Energy: 1.2167587565215565
Energy: 1.230487799426646
Energy: 1.232173791128274
Energy: 1.2322451012060138
Energy: 1.2328678556202768
Energy: 1.228220383436132
Energy: 1.2322532630158476
Energy: 1.2321202529093878
Energy: 1.221861543661601
Energy: 1.2308375461675356
Energy: 1.230529402117059
Energy: 1.2286154930982804
Energy: 1.2301208617012054
Energy: 1.2292220498670443
Energy: 1.3162338802404838
Energy: 1.2075643372374985
Energy: 1.204353854112781
Energy: 1.2818855081486995
Energy: 1.2069229932733163
Energy: 1.2048169295114546
Energy: 1.4544663041066497
Energy: 1.2026276080849712
Energy: 1.2048585853426905
Energy: 1.2276820788945253
Energy: 1.200554351859393
Energy: 1.2273310762888643
Energy: 1.2684232707635532
Energy: 1.2294924381426322
Energy: 1.2265553400961997
Energy: 1.2153482196577985
Energy: 1.258411558984874
Energy: 1.2267703069370328
Energy: 1.270274556380743
Energy: 1.2573281234263858
Energy: 1.2296436277911054
Energy: 1.2151886426717842
Energy: 1.258593896864199
Energy: 1.2285628003097182
Energy: 1.4582194008901714
Energy: 1.227905868820573
Energy: 1.228352711007934
Energy: 1.2291785217523656
Energy: 1.2274126730447568
Energy: 1.2288296146207744
Energy: 1.4555972022113006
Energy: 1.2299707893795135
Energy: 1.230695055815181
Energy: 1.232810291686458
Energy: 1.2294559668299772
Energy: 1.2317396656875557
Energy: 1.2950789075656104
Energy: 1.2777524004745624
Energy: 1.2372588316990956
Energy: 1.192642994106524
Energy: 1.2333023533978564
Energy: 1.2370845666134762

minimum gb energy = 1.1904737643993335 eV
minimum distance =  2.2086176926262 Angstroms
sigma value = 33


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

Energy: 0.020480072135123484
Energy: 0.021512958784543505
Energy: 0.021515401105097975
Energy: 0.0230778690486804
Energy: 1.0598543535240503
Energy: 0.021150154693038124
Energy: 0.021695345642675178
Energy: 0.16897520095735355
Energy: 0.16652289344136728
Energy: 0.16892598699046013
Energy: 0.16893282949551428
Energy: 0.16659051505100775
Energy: 1.619928790735194
Energy: 1.0624997391977538
Energy: 1.060164254722651
Energy: 1.060649886214453
Energy: 1.060347894518929
Energy: 1.0602635347281024
Energy: 0.7246682810399975
Energy: 0.1689752009601082
Energy: 0.166522893439964
Energy: 0.1689259869891088
Energy: 0.16893282949644983
Energy: 0.16659051505053996

minimum gb energy = 0.020480072135123484 eV
minimum distance =  2.45509262120538 Angstroms
sigma value = 1