Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.593729183077813
cohesive_energy=4.272647501189812
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.97349709069584e-19, 2.7964711405162796e-19, 3.41601682311774e-19, 3.92224055239638e-19, 4.34604831562206e-19, 4.707659581915859e-19, 5.01998789494782e-19, 5.2918292044386e-19, 5.5295922169242e-19, 5.73808346230662e-19, 5.921052033909419e-19, 6.081461958505499e-19, 6.221764566344879e-19, 6.3439305346873795e-19, 6.44967419253138e-19, 6.5404054553148e-19, 6.617357999045819e-19, 6.681573238536539e-19, 6.734012479767359e-19, 6.775476811055279e-19, 6.806703233651939e-19, 6.828316596444599e-19, 6.840909704787839e-19, 6.844995255204539e-19, 6.84062131299372e-19, 6.82650613684818e-19, 6.80096744130222e-19, 6.7620665926287e-19, 6.707063868783479e-19, 6.63160134932208e-19, 6.52995926366112e-19, 6.39471953398518e-19, 6.216156948125879e-19, 5.9815982889082795e-19, 5.67423672344172e-19, 5.27168984414922e-19, 4.74391683914328e-19, 4.05011026955592e-19, 3.13432212732786e-19, 1.9187987804110797e-19, 2.9419167353508e-20, -1.8913855382033397e-19, -4.85084610769644e-19, -8.893666473567658e-19, -1.447939895974722e-18, -2.2309508540133e-18, -3.3492861663116395e-18, -4.9843074213086394e-18, -7.445010404637539e-18, -1.127196951260994e-17, -1.7427996771661798e-17, -2.76128734163364e-17, -4.4543714778467996e-17, -7.07638160468682e-17]
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: 0.018865769130991226
Energy: 0.12384841861854935
Energy: 0.12499118395677027
Energy: 0.1253829078288721
Energy: 0.02201819498091714
Energy: 0.02041545049837933
Energy: 0.1232291178479678
Energy: 0.12629569222526996
Energy: 0.12469180322832382
Energy: 0.021364762631842508
Energy: 0.12323083044625864
Energy: 0.12299496239472044
Energy: 0.12402729484187644
Energy: 0.1258501683723507
Energy: 0.12651652908413957
Energy: 0.12357681636075958
Energy: 0.12338427188550614
Energy: 0.12327389260688912
Energy: 0.12628215015767186
Energy: 0.12551449193290626
Energy: 0.1260031780248981
Energy: 0.021978811226162815
Energy: 0.0192865509885147
Energy: 0.12387135297685184
Energy: 0.12500997002063124
Energy: 0.12552316694459612
Energy: 0.02122367635586117
Energy: 0.019369402673869992
Energy: 0.12347054238719725
Energy: 0.12568982397722578
Energy: 0.12571300596136809
Energy: 0.020245090190843473
Energy: 0.019906101178871143
Energy: 0.12303477951220497
Energy: 0.12357739627826446
Energy: 0.1251455784541189
Energy: 0.020248864847612597
Energy: 0.01956771562585853
Energy: 0.12270369685598942
Energy: 0.12359100863849959
Energy: 0.12508840858942527
Energy: 0.12456875406393743
Energy: 0.12621421137849234
Energy: 0.020193823928964967
Energy: 0.020523829987596203
Energy: 0.12450726817710567
Energy: 0.12511175372808434
Energy: 0.1266223184802437
Energy: 0.021077457543848446
Energy: 0.1227121304759177
Energy: 0.12600944476365988
Energy: 0.1238984632354863
Energy: 0.12483070869154467
Energy: 0.019812150231822343
Energy: 0.02283837836339157
Energy: 0.12603849860276942
Energy: 0.12331092702722082
Energy: 0.1252381326320916
Energy: 0.019935257065745657
Energy: 0.019435752353353493
Energy: 0.019335908802324626
Energy: 0.12668222297074588
Energy: 0.12556932417689365
Energy: 0.12460418313563981
Energy: 0.12696142881092953
Energy: 0.02375998678238099
Energy: 0.12623564434970502
Energy: 0.1250655096764416
Energy: 0.1251394600040308
Energy: 0.12694467039240975

minimum gb energy = 0.018865769130991226 eV
minimum distance =  2.5059557616033 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

Energy: 0.9784176754698632
Energy: 0.8317838891397792
Energy: 0.9699603918950711
Energy: 0.8363650033712627
Energy: 0.867141130122192
Energy: 0.8672791820560103
Energy: 0.8398826829263365
Energy: 0.9693551600185778
Energy: 0.9747350203940817
Energy: 0.9786510123039036
Energy: 1.2373655567357178
Energy: 1.2159453067571033
Energy: 1.1294397532661864
Energy: 0.9724658536049056
Energy: 0.687216759539383
Energy: 0.6838804177239145
Energy: 1.0063347051475338
Energy: 1.1431970179639348
Energy: 0.9699464363393507
Energy: 1.0422103648295644
Energy: 1.0226279259807802
Energy: 0.9931818267209577
Energy: 0.9020400860691473
Energy: 0.7381747918658105
Energy: 0.7847397391585387
Energy: 0.6782570466192205
Energy: 0.9847931276546646
Energy: 0.9033997079969796
Energy: 0.6809355695376226
Energy: 1.0237191332186024
Energy: 0.6789663652917807
Energy: 1.1522352801779432
Energy: 0.8671501252848176
Energy: 0.6780187490455308
Energy: 0.7930785652541577
Energy: 0.6788938448531048
Energy: 1.1443333315295998
Energy: 1.0985924273628171
Energy: 0.8981480675894457
Energy: 1.0198637388785528
Energy: 1.153778794860873
Energy: 1.1177858375418346
Energy: 1.0481783998598528
Energy: 1.0473779699375507
Energy: 0.9963801919704378
Energy: 0.9861653203791205
Energy: 1.0584740181998313
Energy: 0.9977894149475355
Energy: 0.8075864028255727
Energy: 1.1215563794137178
Energy: 1.017102980422991
Energy: 1.2070954355059413
Energy: 1.071475935736945
Energy: 1.3043242297369257
Energy: 0.9333649104340007
Energy: 1.0175553897964795
Energy: 0.9882203694719865
Energy: 1.0318912153773898
Energy: 1.152259696463669
Energy: 1.015253568561441
Energy: 1.1971142225210545
Energy: 1.124426661068192
Energy: 0.9859295538410964
Energy: 0.9607215304946746
Energy: 1.0445568924409638
Energy: 1.1877388439103165
Energy: 1.1798508283705902
Energy: 0.9820773960390233
Energy: 0.8168722431442791
Energy: 1.0407374184238658
Energy: 1.191371452390608
Energy: 0.9813891999401781
Energy: 0.9577133872407368
Energy: 0.9457351264528266
Energy: 1.021286234252197
Energy: 1.2260599835951558
Energy: 0.9372052617189366
Energy: 0.8685400124138126
Energy: 0.8645357003605851
Energy: 0.9372501031875304
Energy: 1.194826284073262
Energy: 1.2533426914294459
Energy: 0.9437797260360421
Energy: 1.095758618671976
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Energy: 1.1941531123140785
Energy: 0.9848203297530387
Energy: 0.6978097835581524
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Energy: 0.9323114433225411
Energy: 1.001734788725183
Energy: 0.9876688735243666
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Energy: 0.9077504325347977
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Energy: 0.9585592104412346
Energy: 0.8194305727456098
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Energy: 0.9889266878465894
Energy: 1.276689846395539
Energy: 0.9240959702434975
Energy: 0.9964457680923147
Energy: 0.9901655170126333
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Energy: 1.025360102981216
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Energy: 1.260649749247333
Energy: 1.0226177543010404
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Energy: 0.8216109625904012
Energy: 1.0587386135364965
Energy: 1.2210795851737903
Energy: 1.0151711403067112
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Energy: 0.9232755030801905
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Energy: 1.0947583764666056
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Energy: 0.9775215805825598
Energy: 0.9843265525053752
Energy: 0.9929315337935175
Energy: 0.8439776056774896
Energy: 0.8184658232414657
Energy: 1.2021031093416275
Energy: 1.03369548777949
Energy: 1.346066755781974
Energy: 0.8100571019250689
Energy: 0.9660536071783778
Energy: 1.1904971469098842
Energy: 1.0826724745765322
Energy: 1.0711994285077144
Energy: 1.3805415660645954
Energy: 0.9257187368790769
Energy: 1.015348424150614
Energy: 1.0137388145034592
Energy: 0.9496891063178982
Energy: 1.207521544982147
Energy: 1.0245793699558448
Energy: 1.0270587362787924
Energy: 0.9279207278584847
Energy: 0.8654619614011779
Energy: 1.036290009224819
Energy: 0.9756911667104614
Energy: 1.1732450611263912
Energy: 1.0221554460860267
Energy: 0.9633261373798021
Energy: 0.8311282260798261
Energy: 1.0625040603916829
Energy: 1.1872771750991453
Energy: 1.0217975247010447
Energy: 0.8223812315802738
Energy: 0.8312287263161069
Energy: 1.1359774960763618
Energy: 0.8939563137071536
Energy: 0.9679281931690586
Energy: 0.9495844442666971
Energy: 0.9222225626289492
Energy: 0.9133758226095819
Energy: 0.9029597123027667
Energy: 0.8311242355378401
Energy: 0.8090019538860659
Energy: 0.8299544470975387
Energy: 0.9048972526890954
Energy: 0.915142535102557
Energy: 0.8622269358841748
Energy: 0.873200647244999
Energy: 0.816927174845028
Energy: 0.9054042874337332
Energy: 0.9065704331085483
Energy: 0.8289535327882195
Energy: 0.8773718206642712
Energy: 1.08575025991825
Energy: 1.1880811552413255
Energy: 1.0663950880492215
Energy: 0.8128380882548613
Energy: 0.8193661264029298
Energy: 1.0974047433130087
Energy: 1.1904120369579603
Energy: 1.1044193211819782
Energy: 0.9544164636236812
Energy: 0.9811976709316331
Energy: 1.0176903875525307
Energy: 0.9887649346236523
Energy: 0.9233386814304938
Energy: 0.8032026659934838
Energy: 0.9283778740398322
Energy: 1.005146279141638
Energy: 0.9904676942972176
Energy: 1.0467451825604672
Energy: 1.2057056520291116
Energy: 0.9260338088194294
Energy: 1.1745627567670818
Energy: 1.009131033291448
Energy: 0.9816107760165026
Energy: 0.8156897049780362
Energy: 1.0396644107425872
Energy: 1.1813556527492812
Energy: 1.2165531875985038
Energy: 0.9639887965745593
Energy: 0.9643554703190398
Energy: 0.9936506453556038
Energy: 1.2690000431096458
Energy: 0.9379467274925494
Energy: 0.8653042678380211
Energy: 0.865262011671194
Energy: 0.9370699717146105
Energy: 1.3111432969130938
Energy: 0.936434041845767
Energy: 0.9466059836421191
Energy: 0.9448606185763415
Energy: 1.0270484493019976
Energy: 1.1955572590346186
Energy: 0.9380674792208284
Energy: 0.6962866662249282
Energy: 1.306964194323027
Energy: 0.9311137695914041
Energy: 1.1870628996414954
Energy: 1.0517688759256552
Energy: 0.8027967040198718
Energy: 1.2361932664250646
Energy: 0.9312681522957145
Energy: 0.9713072138561065
Energy: 0.8409359716146303
Energy: 0.8057965598808877
Energy: 0.9110934783713134
Energy: 0.889667891170877
Energy: 0.8120496489275663
Energy: 0.960249408803548
Energy: 0.8140762954898035
Energy: 0.9918402605449724
Energy: 1.2374972331732887
Energy: 0.8524428656917044
Energy: 0.8109159577363568
Energy: 0.8945157236533122
Energy: 0.8947427021020481
Energy: 1.2316081356402546
Energy: 0.9151261289906176
Energy: 0.9205979598058686
Energy: 0.8357747314263937
Energy: 0.9810016679296755
Energy: 1.236970652673214
Energy: 1.0594104772258808
Energy: 1.1999866087820212
Energy: 1.1418487072144006
Energy: 1.1567005465417903
Energy: 0.9630410653033522
Energy: 0.9355766190599163
Energy: 0.6895109399710754
Energy: 1.0361510695317298
Energy: 1.231176493310927
Energy: 0.9774777077028206
Energy: 1.1104672412049854
Energy: 1.216660418950286
Energy: 0.7891715974444091
Energy: 0.9912642457242703
Energy: 0.9950575246213158
Energy: 0.79119156072084
Energy: 0.6837882927799858
Energy: 0.7911249068117647
Energy: 0.9880728489493831
Energy: 0.9832218382908668
Energy: 0.9078482237971631
Energy: 1.0280269298019735
Energy: 1.1458673744448216
Energy: 1.1247616291855662
Energy: 0.836504233105946
Energy: 0.6892058313734383
Energy: 0.684917695172966
Energy: 1.2291934326015348
Energy: 1.1020378183114756
Energy: 1.152953307623127
Energy: 1.188670198447847
Energy: 0.9727235023310616
Energy: 0.9748509120671439
Energy: 0.8361942085074382
Energy: 0.865243628527429
Energy: 0.8147990017301106
Energy: 0.8307105518616612
Energy: 0.9672943556016703
Energy: 0.9671421380549059
Energy: 0.9606331837774288

minimum gb energy = 0.6780187490455308 eV
minimum distance =  2.27113115364708 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 2.002986949566233
Energy: 1.0448049230924232
Energy: 1.0908305614249965
Energy: 1.1258266682216298
Energy: 1.024630721007909
Energy: 1.9422522019700839
Energy: 1.0501537482633447
Energy: 1.035155183141435
Energy: 1.092092941058345
Energy: 1.0679018463412953
Energy: 1.1142276502000854
Energy: 1.18305421422304
Energy: 1.0448549820928947
Energy: 1.0999967483817923
Energy: 1.0381002414851872
Energy: 1.0386489221511945
Energy: 1.1732867728025835
Energy: 0.9696524766215909
Energy: 1.1606248781806399
Energy: 1.0933734515724023
Energy: 1.087552046990516
Energy: 1.1024610322022421
Energy: 1.1004738049463643
Energy: 1.0944650315981348
Energy: 1.0989086324687973
Energy: 1.0018850922337226
Energy: 1.102250937898947
Energy: 1.1006579355587622
Energy: 1.0650844138258067
Energy: 1.0887415626639743
Energy: 1.068591170130719
Energy: 1.2238502220976166
Energy: 1.2049168233163616
Energy: 1.0083688365293706
Energy: 1.1160733926022435
Energy: 1.0253252746222221
Energy: 1.0320901606430373
Energy: 1.1242124404373506
Energy: 1.0799411408991009
Energy: 1.151303442762537
Energy: 1.2426934047398834
Energy: 1.1848335186200536
Energy: 1.1966687765011752
Energy: 1.1985128741803563
Energy: 1.139391127528167
Energy: 1.215303924394487
Energy: 1.0163070203742364
Energy: 1.1851990069745206
Energy: 1.2270050190367368
Energy: 1.1701423934614807
Energy: 1.086612036244308
Energy: 1.2301582063544798
Energy: 1.135354275929346
Energy: 1.0735587585091104
Energy: 1.1301913817220564
Energy: 1.0799075419132564
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Energy: 1.211774562706813
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Energy: 1.0823954374851754
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Energy: 1.0045362148518697
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Energy: 1.2712000939899861
Energy: 1.0888456595004763
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Energy: 1.0140120774842707
Energy: 1.161254647170013
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Energy: 1.179067415562756
Energy: 1.080166662997959
Energy: 1.0526970696959956
Energy: 1.251939977297782
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Energy: 1.1555053880880732
Energy: 1.4763079370590755
Energy: 1.1183062472738001
Energy: 1.183443816294244
Energy: 1.1050873405860644
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Energy: 1.487272470451264
Energy: 1.1529957094191343
Energy: 1.1597410003360598
Energy: 1.109043560163152
Energy: 1.1200835247599048
Energy: 1.2665487277941587
Energy: 1.1573894448914903
Energy: 1.0134926458895928
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Energy: 1.1544759167848322
Energy: 1.2017050896192194
Energy: 1.1430466147564953
Energy: 0.9754977558486585
Energy: 1.1466125231961761
Energy: 1.1544232904780538
Energy: 1.2813514211362949
Energy: 1.0886813702520481
Energy: 1.073532396860402
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Energy: 1.25906833139058
Energy: 1.2730487897947538
Energy: 1.092021483070788
Energy: 1.0439918696315453
Energy: 1.2135513964938196
Energy: 1.0067597297894484
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Energy: 1.0308071811481634
Energy: 1.0268422458988673
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Energy: 1.0990842033379713
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Energy: 1.0277497117260337
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Energy: 1.191392548779093
Energy: 1.0354725322088751
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Energy: 1.0709392274933258
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Energy: 1.084945290328578
Energy: 1.1020516141871382
Energy: 1.2649792490915155
Energy: 1.1397888602360555
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minimum gb energy = 0.9696524766215909 eV
minimum distance =  2.29021034262331 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 1.112693293933672
Energy: 1.1185898594103374
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Energy: 1.1141538973617002
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Energy: 1.0510499719801405
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Energy: 1.0344784924014954
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Energy: 1.056276824777257
Energy: 1.0171018830550795
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Energy: 1.0845462879829217
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Energy: 1.1105123513153414
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Energy: 1.101905861339145
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Energy: 1.0512658293205583
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Energy: 1.18615388553805
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Energy: 1.2650938127234865
Energy: 1.075873373815009
Energy: 1.108853562547044
Energy: 1.2698475820972257
Energy: 1.1194067087072546
Energy: 1.0923276253007235
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Energy: 1.153041293354323
Energy: 1.0724816662495251
Energy: 1.1363957913206564
Energy: 1.1208093767743805
Energy: 1.1334722030517024
Energy: 1.1005280976500722
Energy: 1.1215983545150963
Energy: 1.1212757302513394
Energy: 1.1225466586489488
Energy: 1.112407216045153
Energy: 1.1046174704977423
Energy: 1.1138951785742934
Energy: 1.1188618177001992
Energy: 1.1599882784559972
Energy: 1.0875838590423696
Energy: 1.0428971707772443
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Energy: 1.1872674435585968
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Energy: 1.0915420821832613
Energy: 1.0614310368089703
Energy: 1.140706041094363
Energy: 1.233501014183202
Energy: 0.9774135509441537
Energy: 1.0539207991084978
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Energy: 1.058174053076931
Energy: 1.0656848689734133
Energy: 0.9792116866423279
Energy: 1.0583729004765101
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Energy: 1.073534648659184
Energy: 1.8783286296709585
Energy: 1.1235544818390835
Energy: 1.056576443751892
Energy: 1.0615449187824781
Energy: 1.1573581180046784
Energy: 1.1513242030552504
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Energy: 1.0819406590247858
Energy: 1.0617681660828084
Energy: 1.1419756620650847
Energy: 1.1548978270790191
Energy: 1.1262793528262791
Energy: 1.1265837601980933
Energy: 1.1272219156992498
Energy: 1.2333402200066192
Energy: 1.1107805855961908
Energy: 1.1332035865860943
Energy: 1.0735572939519538
Energy: 1.1197524608247056
Energy: 1.23829422838013
Energy: 1.1650962925629984
Energy: 1.1269762744053735
Energy: 1.2111205883320912
Energy: 1.1197117775343626
Energy: 1.0979615487559977
Energy: 1.1029149543049297
Energy: 1.0610909790576826
Energy: 1.1807064474902795
Energy: 1.1147318084754083
Energy: 1.1045257638257724
Energy: 1.1009712006283314
Energy: 1.051243237985736
Energy: 1.149956429969532
Energy: 1.0488986127992501
Energy: 1.0442230849825818
Energy: 1.2589525226606046
Energy: 1.046335438129235
Energy: 1.1726925041354446
Energy: 1.0471073384426985
Energy: 1.013561059568225
Energy: 1.1198456180593188
Energy: 1.0897999962962097
Energy: 1.0412414017803766
Energy: 1.038503079862437
Energy: 1.035819191269173
Energy: 1.054937471230544
Energy: 1.0665553796160487
Energy: 1.0458845455088104
Energy: 1.0485772496926202
Energy: 1.034976144819436
Energy: 1.0529078912761292
Energy: 1.137832467144531
Energy: 1.0794368391401163
Energy: 1.0622216392106094
Energy: 1.0409550201460531
Energy: 1.1430520425810482
Energy: 1.0525438512343281
Energy: 1.0641662079908396
Energy: 1.133469532134746
Energy: 1.042003594574132
Energy: 1.1024745150556072
Energy: 1.2157457225298762
Energy: 1.0642009462978053
Energy: 1.0622892858877284
Energy: 1.0299540413263937
Energy: 1.257801192854258
Energy: 1.1711142498122344
Energy: 1.060204163933163
Energy: 1.0531847843698425
Energy: 1.071174619713961
Energy: 1.08580085820545
Energy: 1.0300009082414305
Energy: 1.0869258027535076
Energy: 1.0749285811786031
Energy: 1.084813257817619
Energy: 1.1076611579318918
Energy: 1.0304617876565092
Energy: 1.070771437245171
Energy: 1.0663970385191242
Energy: 1.1902878382253002
Energy: 1.08543292459874
Energy: 1.1407470316458805
Energy: 0.9950157158920103
Energy: 1.1085217155198523
Energy: 1.0417502902168023
Energy: 1.0420141326330494
Energy: 1.1436949456439736
Energy: 0.9885917335546587
Energy: 1.104038827589101
Energy: 1.182831910868172
Energy: 1.0918853600478278
Energy: 1.1074648650219991
Energy: 1.3698964797156261
Energy: 1.1005978679124069
Energy: 1.088463035854643
Energy: 1.0942807563555053
Energy: 1.1110024197313022
Energy: 1.2732931815912023
Energy: 1.0793105733917678
Energy: 1.1119288792489137
Energy: 1.0852227769656806
Energy: 1.1537280200189355
Energy: 1.1090120062312259
Energy: 1.0537233586638968
Energy: 0.9808142169233166
Energy: 1.079379141734146
Energy: 1.0574368150323026
Energy: 1.0984489670949513
Energy: 1.061591005666542
Energy: 0.9589216302016974
Energy: 1.1211634360725522
Energy: 1.0808887202714235
Energy: 0.9567174163415738
Energy: 0.9490586602559418
Energy: 0.9493070397681531
Energy: 0.9587662947760296
Energy: 1.1198351139486162
Energy: 0.9544686830946388
Energy: 0.9499647957489091
Energy: 0.9514368552031841
Energy: 1.029838993222023

minimum gb energy = 0.9460705316404022 eV
minimum distance =  2.27133578827768 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 1.4498841280192405
Energy: 0.9985506618870885
Energy: 0.9852058537336468
Energy: 0.9974447784499697
Energy: 0.9981865763187778
Energy: 1.0579346572915667
Energy: 0.9980431988716544
Energy: 0.9847578091998045
Energy: 0.9975632718126293
Energy: 0.9965141953832469
Energy: 1.107356051694847
Energy: 1.0105040169161974
Energy: 1.0775001312974413
Energy: 1.042065840416913
Energy: 1.0967563597926497
Energy: 1.0086553050780553
Energy: 1.0101011036285823
Energy: 1.0762675934398385
Energy: 1.1180337972803418
Energy: 1.0958305958418826
Energy: 0.9949655965226498
Energy: 1.050150411238493
Energy: 1.0013699042589093
Energy: 0.996243082149962
Energy: 1.1793381720091676
Energy: 0.9965447737517897
Energy: 1.0176992005029493
Energy: 0.9951542240838028
Energy: 0.9979066647414001
Energy: 1.0894330504201708
Energy: 1.0813409586882772
Energy: 1.0805752302944835
Energy: 0.9950843656800412
Energy: 0.9953396740279811
Energy: 0.9629884916444972
Energy: 1.0556514892547146
Energy: 1.0786572036046016
Energy: 0.9953334152128017
Energy: 0.9969545436150955
Energy: 0.961959874551809
Energy: 1.0382252610815184
Energy: 0.9978130955277371
Energy: 1.0684232404989118
Energy: 1.078207972530605
Energy: 0.9988079419457119
Energy: 1.0393330456636027
Energy: 1.0404190471012857
Energy: 1.0434735231526662
Energy: 1.0778437985341243
Energy: 0.9994403382297595
Energy: 0.9985672108986869
Energy: 1.0462241332764428
Energy: 1.0018033322470705
Energy: 0.9667295716290286
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Energy: 0.9994984234862401
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Energy: 1.0004544525790422
Energy: 0.9635485435986143
Energy: 0.9991258861906562
Energy: 0.9982297234948551
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Energy: 1.0869139481900927
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Energy: 1.0898306382134308
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Energy: 1.0875635801081247
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Energy: 1.0120650585884732
Energy: 0.9594788173666143
Energy: 1.0434182852509224
Energy: 1.0262068076927895
Energy: 0.9966730683894695
Energy: 1.0898985292447216
Energy: 0.9946045383588614
Energy: 1.0431773306176053
Energy: 1.0259274675808578
Energy: 0.9974477560553092
Energy: 0.9935306601515894
Energy: 1.0083475085661429
Energy: 1.0891635982063796
Energy: 0.9778493618489027
Energy: 0.9998007692023856
Energy: 1.0430331220123945
Energy: 1.0086117554474772
Energy: 0.9974185054591195
Energy: 0.9795995049499543
Energy: 0.99907358730392
Energy: 0.994244679248269
Energy: 1.0085794470089795
Energy: 0.9957299407643702
Energy: 1.0018677776671787
Energy: 0.9962816425213673
Energy: 1.088486726557555
Energy: 1.0080701921629451
Energy: 0.9955264958235497
Energy: 1.0003436915761603
Energy: 0.9957284026795652
Energy: 1.090464729884811
Energy: 0.9940154277841637
Energy: 0.9963145416560921
Energy: 0.9947777721683049
Energy: 0.9953759342312072
Energy: 0.994417479558449
Energy: 0.9960788147574224
Energy: 0.995726158819889
Energy: 0.9956363077154701
Energy: 1.051808600033849
Energy: 0.9942730153341303
Energy: 0.9960729830967183
Energy: 1.0775009036536873
Energy: 1.0961912920473142
Energy: 1.0388228463445839
Energy: 0.9615681741876878
Energy: 0.9995827919839145
Energy: 1.0772446320790814
Energy: 1.0974803140291756
Energy: 1.0837815671795095
Energy: 0.9616098747424451
Energy: 1.0544710278780243
Energy: 0.9747098239161434
Energy: 0.998881932821438
Energy: 1.0005121261941958
Energy: 0.9860634009670631
Energy: 1.0543164445886801
Energy: 1.0303397876377156
Energy: 0.9989994904659587
Energy: 1.0017155336439139
Energy: 1.0018686275289048
Energy: 1.0433489088712695
Energy: 1.0919370078953152
Energy: 0.997711338040347
Energy: 0.9680331811980957
Energy: 1.0346243299799232
Energy: 1.0463415674170302
Energy: 1.097404626643447
Energy: 0.9982227866381854
Energy: 0.9670978725984893
Energy: 0.9989377758038547
Energy: 0.9936871439889555
Energy: 1.0454474358157402
Energy: 0.9990246413439727
Energy: 0.9975683695354394
Energy: 1.0097882454387175
Energy: 0.9939558578109194
Energy: 1.0457797346199411
Energy: 1.0012007466715265
Energy: 0.9975985063780491
Energy: 1.0099046696673746

minimum gb energy = 0.9594788173666143 eV
minimum distance =  2.31330245726818 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 2.1173739999089847
Energy: 0.8510887293965975
Energy: 0.8389322505015888
Energy: 0.8503124610942773
Energy: 0.8375413441598604
Energy: 1.0025634229112277
Energy: 0.8378662230577673
Energy: 0.840627999149909
Energy: 0.8503651222966545
Energy: 0.9014784421926416
Energy: 0.9427197150564947
Energy: 0.8792320644444472
Energy: 0.8502100704254856
Energy: 0.9078890422302186
Energy: 0.8851782716694474
Energy: 0.9198861503567017
Energy: 0.8392230578542799
Energy: 0.8513664981037075
Energy: 0.9083580496509798
Energy: 0.9427533660709868
Energy: 0.8932043009066266
Energy: 0.8923953733895155
Energy: 0.8546491436715996
Energy: 0.8991451065242427
Energy: 0.922656994230328
Energy: 0.8789837386189503
Energy: 0.8887547601057498
Energy: 0.8943622488884513
Energy: 0.9130660614722312
Energy: 0.9229914604933933
Energy: 0.8918535935585337
Energy: 0.895029030287286
Energy: 0.914145210722962
Energy: 0.880680445369094
Energy: 0.9051434523566917
Energy: 0.8905554914972668
Energy: 0.8522349101641776
Energy: 0.8804269085561537
Energy: 0.8966748071275035
Energy: 0.9574748586165116
Energy: 0.948119125283746
Energy: 1.0194647159264933
Energy: 0.9703869908629332
Energy: 0.9207954963816125
Energy: 0.9098749687651899
Energy: 0.896152538642322
Energy: 0.8864227310378499
Energy: 0.9727323749152235
Energy: 0.9720268556709503
Energy: 0.9359792819902625
Energy: 0.9428877878564995
Energy: 0.9615099698054957
Energy: 0.9461209569449976
Energy: 0.8729792220256261
Energy: 0.921297379528381
Energy: 0.9461750872201996
Energy: 0.8338053641956777
Energy: 0.933500904064755
Energy: 1.107787016043792
Energy: 0.9345782479419924
Energy: 0.9815017264106424
Energy: 0.9597698573743063
Energy: 0.9477506658524788
Energy: 0.9416901276971414
Energy: 0.9307420868995193
Energy: 0.9411427106021345
Energy: 0.9327617457091473
Energy: 0.9583011443690476
Energy: 0.9421532745632787
Energy: 0.9385498655630692
Energy: 1.2226636538875035
Energy: 0.9022114058296462
Energy: 0.8945797164060652
Energy: 0.8905354292719824
Energy: 0.8664972548984559
Energy: 0.911748069996356
Energy: 0.8950939414704071
Energy: 0.8925292429725682
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Energy: 0.8914440413367813
Energy: 1.0862740277000156
Energy: 0.8918475304413103
Energy: 0.876181313700848
Energy: 0.873933740783802
Energy: 0.8934010006274302
Energy: 0.9210325843889083
Energy: 0.8889256693172987
Energy: 0.8446124160606745
Energy: 0.8895663884764189
Energy: 0.8939259157602469
Energy: 0.9459967354844772
Energy: 0.9051441302062782
Energy: 0.8876166086370075
Energy: 0.8801527555405462
Energy: 0.9454870368506862
Energy: 0.8996331228278721
Energy: 0.9065576966872196
Energy: 0.8708523438050837
Energy: 0.8712899429763783
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Energy: 0.8566032948331584
Energy: 0.8727747435979103
Energy: 0.85457788168622
Energy: 0.8724536846449626
Energy: 1.9287301691365233
Energy: 0.8552938409023105
Energy: 0.8784943811302947
Energy: 0.859540335539814
Energy: 0.9139123248135221
Energy: 1.8094042139894013
Energy: 0.8765032183050606
Energy: 0.8753967033344646
Energy: 0.8961097498225008
Energy: 0.9267010688313896
Energy: 0.929084274390992
Energy: 0.8862836688195556
Energy: 0.8724706015718938
Energy: 0.8682523373808265
Energy: 0.9199327524386792
Energy: 0.9174771197351763
Energy: 0.8973022269812082
Energy: 0.8689389532182423
Energy: 0.8699099118454999
Energy: 0.9321548559662012
Energy: 0.9368214010126308
Energy: 0.8945939289791727
Energy: 0.8736536983130463
Energy: 0.8634870695542538
Energy: 0.9259328291373304
Energy: 0.9413055270763646
Energy: 0.8695148613003478
Energy: 0.9178259292564659
Energy: 0.8621587473848515
Energy: 1.0214805781383187
Energy: 0.9123453204646346
Energy: 0.8670553233248751
Energy: 0.873136088255762
Energy: 0.863148045368564
Energy: 1.0332019770157819
Energy: 0.9215817690354628
Energy: 0.8662679995534711
Energy: 0.9229915145336216
Energy: 0.9276225260019476
Energy: 1.009351684241236
Energy: 0.9283463547412288
Energy: 0.8678719839136159
Energy: 0.9559542958575369
Energy: 0.9282983024375269
Energy: 0.9374709090277004
Energy: 0.9179225056070303
Energy: 0.8764213671267
Energy: 0.9075867266950223
Energy: 0.91930541662359
Energy: 0.933302324430066
Energy: 0.9357852446907388
Energy: 0.8712520864339304
Energy: 0.9072498952042054
Energy: 0.9186232703876331
Energy: 0.8932603609247525
Energy: 0.9189614188054539
Energy: 0.9530714205032518
Energy: 0.9363122135966873
Energy: 0.9344123843728231
Energy: 0.9279097451693717
Energy: 0.973998501701477
Energy: 0.9212897518826096
Energy: 0.9319565070613578
Energy: 0.952003754337737
Energy: 0.8968693301006064
Energy: 0.947668630737028
Energy: 0.9834187849018945
Energy: 0.9385041980288912
Energy: 1.124590631305274
Energy: 0.9456806118234531
Energy: 1.0626471490507359
Energy: 0.9855663671707277
Energy: 0.9386870591532339
Energy: 0.9760730034715653
Energy: 0.9347249734520519
Energy: 0.8602527817438597
Energy: 0.9414910022955191
Energy: 0.9263773150436193
Energy: 0.9159424141139393
Energy: 0.9288997410859473
Energy: 0.8589345321560427
Energy: 0.9344423569917084
Energy: 0.9240583167410935
Energy: 0.9213310175500202
Energy: 0.9298742134053666
Energy: 0.8568683817007738
Energy: 0.96101434046749
Energy: 0.9387380453671312
Energy: 0.8840700164025378
Energy: 0.9382088344629658
Energy: 0.9574418620656647
Energy: 0.958749868224716
Energy: 0.9502230320545604
Energy: 0.8988353655067557
Energy: 0.9368477063083015
Energy: 0.9590843304334496
Energy: 0.8887701339785458
Energy: 1.018888393694501
Energy: 0.920484055584764
Energy: 0.9231241270506988
Energy: 0.9150631325765359
Energy: 0.8907722062849157
Energy: 0.921310358821194
Energy: 0.9280544126810188
Energy: 1.2031337860389157
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Energy: 0.954315339913484
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Energy: 0.8765741576941698
Energy: 0.8634056530626745
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Energy: 0.863091043886316
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Energy: 0.9238951240842213
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Energy: 0.8657447257507098
Energy: 0.8627795034324417
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Energy: 0.9322858093013046
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Energy: 0.8735786989033726
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Energy: 0.9196308568124583
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Energy: 0.8884056734482726
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Energy: 0.9744273408095421
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Energy: 0.9369485788004358
Energy: 0.9729001114355761
Energy: 0.9291850644341076
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Energy: 0.9104508880547176
Energy: 0.9319751662647685
Energy: 0.8644738386729647
Energy: 0.9316121383836751
Energy: 0.9451652931598671
Energy: 0.9051884688524523
Energy: 0.9315836499382119
Energy: 0.9651898380640996
Energy: 0.9661533030913528
Energy: 0.977956616995237
Energy: 0.903439953355034
Energy: 0.9304460582528455
Energy: 0.9199495836782181
Energy: 0.9573808600940199
Energy: 0.966724012272874
Energy: 0.9039340360500839
Energy: 0.933182847283439
Energy: 1.00515853869786
Energy: 0.8972122518727944
Energy: 0.9069505962941268
Energy: 0.9024620120804321
Energy: 0.9328149693515049
Energy: 0.9250681970947089
Energy: 0.8978894290586712
Energy: 1.0115306737144525
Energy: 0.8823858718438667
Energy: 0.964120628909218
Energy: 0.9262126728136144
Energy: 0.8974189643210809
Energy: 0.8523415173845981
Energy: 0.8965526910069629
Energy: 0.974621196816209
Energy: 0.9001823724713145
Energy: 0.8969918565737698
Energy: 0.843616451127668
Energy: 0.8832103499023747
Energy: 0.8888090709194189
Energy: 0.906468692594671
Energy: 0.9009921618809478
Energy: 0.8701176577161368
Energy: 0.8814164750010963
Energy: 0.9599204583736519
Energy: 0.8843456930117551
Energy: 0.9004306696065457
Energy: 0.8677350916658847
Energy: 0.8561849121172842
Energy: 1.010557528723102
Energy: 0.8559293152115136
Energy: 0.8553964765919398
Energy: 0.8491165026124825
Energy: 0.8567043515774366
Energy: 0.9464267769763846
Energy: 0.8486750471856898
Energy: 0.8658347853701762
Energy: 0.8535650508416909
Energy: 0.9026334606617896
Energy: 0.9568794272398332
Energy: 0.8594441262205329
Energy: 0.8410767119401587
Energy: 0.8354298847593992
Energy: 0.9252462062468426
Energy: 0.8798735122567756
Energy: 0.8544644436649845
Energy: 0.8301348286808602
Energy: 0.8930572216759131
Energy: 0.9224460686159962
Energy: 0.9380644220965222
Energy: 0.8519466348687216
Energy: 0.8370109940448595
Energy: 0.8332219998883919
Energy: 0.9067443649192368
Energy: 0.9066482201328131
Energy: 0.8540821904504193
Energy: 0.8507494560051507
Energy: 0.8624846099661059

minimum gb energy = 0.8301348286808602 eV
minimum distance =  2.31377864902234 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.6704181131199475
Energy: 0.687123947471482
Energy: 0.7724728946810719
Energy: 0.7150422119780143
Energy: 0.3713482998655299
Energy: 0.41355983907041166
Energy: 0.7246689414094611
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Energy: 0.6764490781217583
Energy: 0.5805317564774477
Energy: 0.6867089088888533
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Energy: 0.7975764660209085
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Energy: 0.7352486399861727
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Energy: 0.7683563425025518
Energy: 0.6308247285334283
Energy: 0.7170488280039266
Energy: 0.6846875486030418
Energy: 0.8186212761895445
Energy: 0.7232040733907505
Energy: 0.4231841975118009
Energy: 0.6611654220018632
Energy: 0.7026791211096259
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Energy: 0.7141351248585739
Energy: 0.37132416010950964
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Energy: 0.746457209661262
Energy: 0.7767333836133575
Energy: 0.7559712274755991
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Energy: 0.4784928218144466
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Energy: 0.7316815856413467
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Energy: 0.7499143384075415
Energy: 0.6431900582162902
Energy: 0.7467954179786991
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Energy: 0.810112210322443
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Energy: 0.7921718500258038
Energy: 0.6807375174984112
Energy: 0.8324831572371104
Energy: 0.42270703088365574
Energy: 0.4273565705898167
Energy: 0.7816213029690391
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Energy: 0.8296473274497892
Energy: 0.3719452279116176
Energy: 0.37261134708861987
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Energy: 0.7383493469046555
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Energy: 0.4349170149458756
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Energy: 0.3729608728111071
Energy: 0.7434193945577087
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Energy: 0.7963797498426011
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Energy: 0.6383046474204522
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Energy: 0.7706533026763637
Energy: 0.7867444840327427
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Energy: 0.7821941672910021
Energy: 0.778967257708618
Energy: 0.7781359109239706
Energy: 0.47757037255771684
Energy: 0.4244879981239036
Energy: 0.8117793446315384
Energy: 0.8568146766627074
Energy: 0.5962853666901657
Energy: 0.42304080603640987
Energy: 0.7987571754009155
Energy: 0.7649948489742329
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Energy: 0.7984837124253449
Energy: 0.422288289827048
Energy: 0.8088995447571368
Energy: 0.7647529817956076
Energy: 0.7683206297987417
Energy: 0.8218890849631537
Energy: 0.3744657738968465
Energy: 0.7869258803286495
Energy: 1.8532016915039486
Energy: 0.7554511974661067
Energy: 0.4291764727326813
Energy: 0.42510246665682994
Energy: 0.7831114897259026
Energy: 1.860171250820542
Energy: 0.8110465516083197
Energy: 0.37403498790107204
Energy: 0.4133294652814741
Energy: 0.8017631151593997
Energy: 0.8158224359516738
Energy: 0.8146107153171809
Energy: 0.42333623282077587
Energy: 0.4775013389581639
Energy: 0.7884793851924873
Energy: 0.8085406678947814
Energy: 0.8206115468755535
Energy: 0.783794273864901
Energy: 0.7772640654044681
Energy: 0.7684555298525835
Energy: 0.761691176805755
Energy: 0.8542339282792073
Energy: 0.817135068225452
Energy: 0.7859012954692024
Energy: 0.7948129588934496
Energy: 0.8160751840976368
Energy: 0.3738903162002302
Energy: 0.3734742575497685
Energy: 0.8042337204522895
Energy: 0.8612131392537546
Energy: 0.8906929359165373
Energy: 0.37532040144136675
Energy: 0.37304314444755754
Energy: 0.8175864326660511
Energy: 1.8654776528547592
Energy: 0.7927087194152312
Energy: 0.37263800099083777
Energy: 0.3719016544210853
Energy: 0.8411866375569161
Energy: 0.8949568207296194
Energy: 0.7783446272746966
Energy: 0.37349062956029216
Energy: 0.37243522879661195
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Energy: 0.8007510915654305
Energy: 0.7969239856441966
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Energy: 0.8086530847584766
Energy: 0.8085255263304506
Energy: 0.829735685563254
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Energy: 0.80555558131218
Energy: 0.7972561771038339
Energy: 0.7880216366716118
Energy: 0.7972103731555946
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Energy: 0.8197327511054557
Energy: 0.7722683533442054
Energy: 0.7746523152569962
Energy: 0.41349666898880605
Energy: 0.4158298697613175
Energy: 0.8292267218839874
Energy: 0.808282813735133
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Energy: 0.47525917102389187
Energy: 0.8221472893259125
Energy: 1.783564240320625
Energy: 0.8221008713123644
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Energy: 0.3715225699564241
Energy: 0.8183335444832244
Energy: 0.8774516574057006
Energy: 0.8509158279939472
Energy: 0.8338460299391547
Energy: 0.8354610124740252
Energy: 0.8677030777959999
Energy: 0.7963758428705423
Energy: 0.7868408581819982
Energy: 0.3745272361200883
Energy: 0.832349339904596
Energy: 0.9046915400018528
Energy: 0.8088848364526691
Energy: 0.7942044429498795
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Energy: 0.40320911267488296
Energy: 0.7914058606705104
Energy: 0.7864509900037127
Energy: 0.8064215520213359
Energy: 0.4132846479432712
Energy: 0.372734698205896
Energy: 0.8098738632320444
Energy: 0.8085326848665998
Energy: 0.3747307524756681
Energy: 0.4127120409701284
Energy: 0.7859370109434247
Energy: 0.8048331431515576
Energy: 0.7780369432292855
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Energy: 0.8265715433443942
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Energy: 0.8107633823698531
Energy: 0.42710534586266785
Energy: 0.42666341954399795
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Energy: 0.9045510766342654
Energy: 0.8127076148884752
Energy: 0.3732357756390745
Energy: 0.7879960119227988
Energy: 0.7960270118154592
Energy: 0.8029549545000457
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Energy: 0.4241698871853988
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Energy: 0.7806505528780946
Energy: 0.8034741627153438
Energy: 0.8213116485631887
Energy: 0.37270325157107187
Energy: 0.41380065152343587
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Energy: 0.8310198390336396
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Energy: 0.8318849683009099
Energy: 0.7985204738838145
Energy: 0.8758411600119028
Energy: 0.7961891551161323
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Energy: 0.7970752564724167
Energy: 0.8437709822007544
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Energy: 0.42242411861276735
Energy: 0.42628346114823845
Energy: 0.7620285127527826
Energy: 0.8384427552962348
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Energy: 0.4268601189438558
Energy: 0.7807010512312398
Energy: 0.7682008061548699
Energy: 0.7681817875948058
Energy: 0.7803990557782706
Energy: 0.8280610381164397
Energy: 0.7211915156524497
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Energy: 0.7389173169553506
Energy: 0.7315084236058983
Energy: 0.7943231206218924
Energy: 0.7717993844702591
Energy: 0.7792399255282965
Energy: 0.41353084644310545
Energy: 0.41388255379039995
Energy: 0.78162913109753
Energy: 0.7963686149264948
Energy: 0.7768067945160946
Energy: 0.4776773769074731
Energy: 0.478679633391303
Energy: 0.7483958481965574
Energy: 0.792553127366281
Energy: 0.6554661989271828
Energy: 0.732513627586847
Energy: 0.37348825407272274
Energy: 0.6784148301410013
Energy: 0.7882402083183087
Energy: 0.8085038541014727
Energy: 0.7791784723622203
Energy: 0.7312251020701552
Energy: 0.762497126189817
Energy: 0.6976246953959222
Energy: 0.7132688477084145
Energy: 0.37304508237812517
Energy: 0.7328598204859539
Energy: 0.7981073208367004
Energy: 0.7434741560684743
Energy: 0.7828580828755081
Energy: 0.4240896122859459
Energy: 0.6748047619557803
Energy: 0.8318292477705516
Energy: 0.6913684013361133
Energy: 0.37395529806253175
Energy: 0.4178686977197807
Energy: 0.6331495902146655
Energy: 1.7843036224099789
Energy: 0.7751166375007115
Energy: 0.4262400941120616
Energy: 0.47773747194627925
Energy: 0.7881084214686179
Energy: 0.7481213969937897
Energy: 0.7207298952268751
Energy: 0.7203088210355587
Energy: 0.6887557866535402
Energy: 0.7128467441947312
Energy: 0.7752550296585635
Energy: 0.7289545416393836
Energy: 0.7489407090261011
Energy: 0.7543365916524742
Energy: 0.7251346844672794
Energy: 0.741913596894895
Energy: 0.7656926465673325
Energy: 0.6044449567596403
Energy: 0.6781071376986244
Energy: 0.798060177445061
Energy: 0.7046386781875018
Energy: 0.7270878099264677
Energy: 0.37511297901518104
Energy: 0.7284265982178055
Energy: 0.7138951535513549
Energy: 0.8505867691211992
Energy: 0.5749711180571694

minimum gb energy = 0.37132416010950964 eV
minimum distance =  2.34424796452609 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 1.6825856088281663
Energy: 0.8103968207467231
Energy: 0.833195134086417
Energy: 0.8126377993709321
Energy: 0.7765723188957003
Energy: 0.7945100846149129
Energy: 0.8100674689796858
Energy: 0.8228688184826335
Energy: 0.8185644382669006
Energy: 0.8109215906723402
Energy: 0.8342241280444912
Energy: 0.8287566441580021
Energy: 0.816667773894809
Energy: 0.8287944784580933
Energy: 0.8173720928530901
Energy: 0.8041131465586137
Energy: 0.8203161013742001
Energy: 0.8647762105830588
Energy: 0.8349224476848919
Energy: 0.8386419342794392
Energy: 0.7787837926790506
Energy: 0.8176949409779339
Energy: 0.8523023902603638
Energy: 0.8302837600895662
Energy: 0.7986472993371753
Energy: 0.791855328307084
Energy: 0.8520920610879402
Energy: 0.8583580221088615
Energy: 0.8250959656446882
Energy: 0.8041477350654509
Energy: 0.8306581108131524
Energy: 0.8262275651278457
Energy: 0.8380241178122209
Energy: 0.8022278697552329
Energy: 0.8801575459361918
Energy: 0.8192816302476628
Energy: 0.8346260077165283
Energy: 0.8212386317932959
Energy: 0.8525294453768906
Energy: 0.8731153325446397
Energy: 0.8441699373170121
Energy: 0.8413858742054412
Energy: 0.8253161089093539
Energy: 0.8192195625177234
Energy: 0.8389574095874155
Energy: 0.802267261022477
Energy: 0.8470944568590034
Energy: 0.8350404171558624
Energy: 0.8249280737745014
Energy: 0.8700998343988443
Energy: 0.8284279112746213
Energy: 0.8395380983475831
Energy: 0.8981145039643558
Energy: 0.801408573695605
Energy: 0.8040181665112238
Energy: 0.8355358063101044
Energy: 0.8553121388704489
Energy: 0.8759535851014318
Energy: 0.7866269430519462
Energy: 0.8031021800460514
Energy: 0.839762795325899
Energy: 0.8777951014791904
Energy: 0.8379805281521876
Energy: 0.8455657745251601
Energy: 0.843936844673902
Energy: 0.8754473658379921
Energy: 0.8266049480934112
Energy: 0.8295376657896674
Energy: 1.0276992562820897
Energy: 0.8342096222242694
Energy: 0.8359457385763596
Energy: 0.8475795258393485
Energy: 0.81697181663888
Energy: 0.7915770538808591
Energy: 0.8210389117701572
Energy: 0.8318438427997165
Energy: 0.8366016857370018
Energy: 0.814717836534596
Energy: 0.8365893961528702
Energy: 0.8237633122905793
Energy: 0.8424636417025932
Energy: 0.8131237470143656
Energy: 0.7983562978955469
Energy: 0.7874215455193964
Energy: 0.8117454286823615
Energy: 0.8386209853838332
Energy: 0.8116995369215042
Energy: 0.8953920257304854
Energy: 0.7847454813014734
Energy: 0.8114021352470135
Energy: 1.0612029454347258
Energy: 0.8306309062855212
Energy: 0.773984315571617
Energy: 0.8132133745126476
Energy: 0.8192282343224522
Energy: 0.8147352091916317
Energy: 0.8329155481397332
Energy: 0.8875910669376985
Energy: 0.8151156250767582
Energy: 0.8189051414781727
Energy: 0.8385053983890416
Energy: 0.8211417015334319
Energy: 0.7938039199850737
Energy: 0.8060877107380474
Energy: 0.8137148583516757
Energy: 0.8218205621726481
Energy: 0.8119912460342527
Energy: 0.8208487044955577
Energy: 0.8188402281936248
Energy: 0.8130418655064319
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Energy: 0.8320942492659302
Energy: 0.842235893538619
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Energy: 0.8496145302345549
Energy: 0.7904928760138894
Energy: 0.8212529545766025
Energy: 0.8748025931165431
Energy: 0.8108989186085246
Energy: 0.7912259951835713
Energy: 0.8337283262537505
Energy: 0.8320009687039218
Energy: 0.844803780099732
Energy: 0.8073838670575421
Energy: 0.7912412497733525
Energy: 0.8624437278898395
Energy: 0.8218245521519112
Energy: 0.7998901205335187
Energy: 0.8304320677420612
Energy: 0.8246564754472269
Energy: 0.8374962142474641
Energy: 0.8206448728923675
Energy: 0.8035155224038546
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Energy: 0.8324321824263275
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Energy: 0.7772817833463754
Energy: 0.7655873275322123
Energy: 0.801935655125486
Energy: 0.8227241018417545
Energy: 0.8549394246969029
Energy: 0.810298828024549

minimum gb energy = 0.7655873275322123 eV
minimum distance =  2.28663203526894 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

Energy: 1.7342767480707528
Energy: 1.0782567457096206
Energy: 1.0842147372560926
Energy: 1.0844171354660639
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Energy: 1.0725498587756805
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Energy: 1.085593008794797
Energy: 1.0844315743118038
Energy: 1.0873538814894932
Energy: 1.0901169880388337
Energy: 1.0532283786792636
Energy: 1.0848746071616393
Energy: 1.08459981008283
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Energy: 1.0904833610431737
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Energy: 1.0522444484210594
Energy: 1.085931622540027
Energy: 1.0791620694744237
Energy: 1.0570395777744614
Energy: 1.084358966162136
Energy: 1.0528394058783301
Energy: 1.05583918625882
Energy: 1.0782444128878406
Energy: 1.0891555986498214
Energy: 1.1028924291285598
Energy: 1.0727051804848287
Energy: 1.1202668731162293
Energy: 1.0775849300023386
Energy: 1.0640397145683589
Energy: 1.1072397182448463
Energy: 1.0722200458622113
Energy: 1.1210855311367587
Energy: 1.0769958885689084
Energy: 1.065201934299487

minimum gb energy = 1.045082702693745 eV
minimum distance =  2.32693754158922 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 1.2115577114902223
Energy: 1.2282435185000442
Energy: 1.327491594528341
Energy: 1.22175029948808
Energy: 1.2975856501650596
Energy: 1.2310644783418683
Energy: 1.2243748366761125
Energy: 1.3071039374156557
Energy: 1.222374919232802
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Energy: 1.3565233620397725
Energy: 1.22511570983663
Energy: 1.222075560522598
Energy: 1.213816008896994
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Energy: 1.2257465767660907
Energy: 1.3001467520902334
Energy: 1.2217540002539986
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Energy: 1.225894248963326
Energy: 1.2604190541850737
Energy: 1.2587493477780205
Energy: 1.218446115951511
Energy: 1.2063240756774591
Energy: 1.31277679005222
Energy: 1.2477560942725852
Energy: 1.341040822130907
Energy: 1.3619973830373098
Energy: 1.30783636012731
Energy: 1.3035128380711165
Energy: 1.2478335865391221
Energy: 1.342283893069289
Energy: 1.2558239248393677
Energy: 1.3037991493169296
Energy: 1.3042358278890966
Energy: 1.2726133905916293
Energy: 1.3096571378655613
Energy: 1.275260211114011
Energy: 1.2060398023493724
Energy: 1.2856281059840289
Energy: 1.2127896317190336
Energy: 1.307748916978463
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minimum gb energy = 1.2017217534905942 eV
minimum distance =  2.30690924335821 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 1.224033246093578
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Energy: 1.2430490767320501
Energy: 1.2061390143320232
Energy: 1.3460148189532286
Energy: 1.2976978519221902
Energy: 1.1892883159735015
Energy: 1.2854442310969267
Energy: 1.3156210702849236
Energy: 1.2832375778487741
Energy: 1.3347719146097676
Energy: 1.1896124394313825
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Energy: 1.194007043201146
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Energy: 1.2028803684063614
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Energy: 1.1875179025652647
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Energy: 1.1875246273133258
Energy: 1.3046327787390832
Energy: 1.2840178959898039
Energy: 1.225099912594523
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Energy: 1.312366820391705
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Energy: 1.2239626908391916
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Energy: 1.2795108652914475
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Energy: 1.1921974987499895
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Energy: 1.2230742489080904
Energy: 1.279600796842519
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Energy: 1.2239175211750526
Energy: 1.1896015088264449
Energy: 1.2253535145279146
Energy: 1.2760148309918886
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Energy: 1.2259922059268848
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Energy: 1.227070634692435
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Energy: 1.2221545075202351
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Energy: 1.1878026545939646
Energy: 1.243859645842179
Energy: 1.2216319870095766
Energy: 1.22275071825645
Energy: 1.2940100130107945
Energy: 1.1877530379628216
Energy: 1.2790394370812508
Energy: 1.2881781586961827
Energy: 1.2040263273644762
Energy: 1.2371257604892847
Energy: 1.22548725164376
Energy: 1.2907947893219294
Energy: 1.2251477804995343
Energy: 1.2674150731430802
Energy: 1.2399980141129452
Energy: 1.2062723624757217
Energy: 1.318570655553312
Energy: 1.187583555363402
Energy: 1.188562746410591
Energy: 1.2967104308183537
Energy: 1.2030273703767027
Energy: 1.2401444175425618
Energy: 1.187329726693248
Energy: 1.1896649591973492
Energy: 1.2878372517925905
Energy: 1.203411482629361
Energy: 1.1872675867874836
Energy: 1.2253351252541422
Energy: 1.1878943373037971
Energy: 1.2267417864217407
Energy: 1.1877564573293034
Energy: 1.1872236675238734
Energy: 1.2249236814677966
Energy: 1.1865143124160655
Energy: 1.2265469445821418
Energy: 1.2048735735818021
Energy: 1.3094859225441926
Energy: 1.295075938628092
Energy: 1.1944975476196227
Energy: 1.26960801462244
Energy: 1.3037089641551458
Energy: 1.313345740318144
Energy: 1.2964207410584818
Energy: 1.1961614728343766
Energy: 1.2713288130394802
Energy: 1.3043990378518102
Energy: 1.2231322209485957
Energy: 1.2370207651336766
Energy: 1.2227210291593038
Energy: 1.3651365065863308
Energy: 1.2436401928109555
Energy: 1.1612572819643214
Energy: 1.2378296226471854
Energy: 1.2226735325236273
Energy: 1.1922863077216121
Energy: 1.234534094551425
Energy: 1.2227505922022965
Energy: 1.2325793928196975
Energy: 1.22508189338524
Energy: 1.2240112284973124
Energy: 1.234247831402322
Energy: 1.222643396727199
Energy: 1.2417191199332167
Energy: 1.2257182406381608
Energy: 1.2234632364611708
Energy: 1.244977437275749
Energy: 1.2169497008077204
Energy: 1.2253028930599337
Energy: 1.2233100744026066
Energy: 1.2246974028134092
Energy: 1.1901728901397062
Energy: 1.2040473764124802
Energy: 1.2243998370354114
Energy: 1.223277904889804
Energy: 1.225968636683696
Energy: 1.296087588090049

minimum gb energy = 1.1610717075714572 eV
minimum distance =  2.30413400050614 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 1.161709368225894
Energy: 1.1968711920178448
Energy: 1.2851419175563628
Energy: 1.1823862852963778
Energy: 1.181147251846517
Energy: 1.1628656556071237
Energy: 1.1966892831235767
Energy: 1.2852694766724
Energy: 1.1795865410718753
Energy: 1.1814277469859833
Energy: 1.2686098648791861
Energy: 1.1800967844987735
Energy: 1.1835674401778735
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Energy: 1.1949268783879161
Energy: 1.2691482880289735
Energy: 1.1791674000146406
Energy: 1.1814230706986628
Energy: 1.1804355031080862
Energy: 1.2702672720619854
Energy: 1.1972045015350727
Energy: 1.1800372014095128
Energy: 1.178292721443917
Energy: 1.1788280995668863
Energy: 1.2522261204372664
Energy: 1.1966206075082624
Energy: 1.196883775595364
Energy: 1.17931962459124
Energy: 1.2701557829450982
Energy: 1.2754173257158858
Energy: 1.269337376345468
Energy: 1.1661702449498776
Energy: 1.1821548770229129
Energy: 1.1949818665214509
Energy: 1.2906336908564433
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Energy: 1.16402343943267
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Energy: 1.1799319759969944
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Energy: 1.1813603746067682
Energy: 1.2734710140210435
Energy: 1.1763336559178277
Energy: 1.1952551046732471
Energy: 1.1824363496223045
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Energy: 1.2733928559933243
Energy: 1.1787819231707497
Energy: 1.1950741117297876
Energy: 1.181330433162322
Energy: 1.1821711378839102
Energy: 1.1962010899400084
Energy: 1.2511771659721387
Energy: 1.1785873673509217
Energy: 1.1629362113250346
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Energy: 1.1811663737423068
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Energy: 1.1812707307793926
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Energy: 1.2683462715609077
Energy: 1.1809235581582749
Energy: 1.1951372733973817
Energy: 1.1943571929700882
Energy: 1.164112813072042
Energy: 1.2683695157574155
Energy: 1.1786123369378616
Energy: 1.1783459812785397
Energy: 1.2487050518802423
Energy: 1.2717936104817904
Energy: 1.1784536309903504
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Energy: 1.2707072713978214
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Energy: 1.1954080312766737
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Energy: 1.1651213173583217
Energy: 1.1957214990354068
Energy: 1.176720674377098
Energy: 1.273225176275833
Energy: 1.2699849884652685
Energy: 1.161859368815158
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Energy: 1.179963666935054
Energy: 1.1809562684252226
Energy: 1.1632585423655368
Energy: 1.2709580085783463
Energy: 1.1838514290979045
Energy: 1.1801602185282567
Energy: 1.1811319829631606
Energy: 1.2684080143177556
Energy: 1.1808903429379358
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Energy: 1.2699374406725807
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Energy: 1.1803407999592843
Energy: 1.2515641999657827
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Energy: 1.2703266167790725
Energy: 1.2695076498510267
Energy: 1.1647560577254907
Energy: 1.1819883176515549
Energy: 1.1949668388965882
Energy: 1.2898271608290854
Energy: 1.2698298725883046
Energy: 1.1635569405103527
Energy: 1.1816296654173502
Energy: 1.1957935133353836
Energy: 1.271198231745988
Energy: 1.1793473939122507
Energy: 1.1829900276880263
Energy: 1.1632957834593216
Energy: 1.1826788753312103
Energy: 1.1788163591279386
Energy: 1.1806032113237503
Energy: 1.1848657983324513
Energy: 1.1639981239170365
Energy: 1.181771745968453
Energy: 1.1785781680584047
Energy: 1.1823267234175865
Energy: 1.268958175940705
Energy: 1.1960755251985056
Energy: 1.1787315439749535
Energy: 1.1813362334959516
Energy: 1.1827839119271815
Energy: 1.2710285848765397
Energy: 1.1965342784976745
Energy: 1.1778917831605469
Energy: 1.1807823335472762
Energy: 1.2728580751322045
Energy: 1.175355305711387
Energy: 1.1953464318368248
Energy: 1.182707896302195
Energy: 1.1822229416746217
Energy: 1.2732935802157905
Energy: 1.177920406758376
Energy: 1.1948328561660186
Energy: 1.1823575145170888
Energy: 1.1821472971884048
Energy: 1.195616052553539
Energy: 1.2503369576791186
Energy: 1.1784898051776003
Energy: 1.1630634475513437
Energy: 1.1827310508867572
Energy: 1.270773400118033
Energy: 1.2491706285977777
Energy: 1.177914729273775
Energy: 1.1624149083472397
Energy: 1.1821577678124258
Energy: 1.1820653414432152
Energy: 1.1817009527416742
Energy: 1.182018507919468
Energy: 1.1643580013423716
Energy: 1.2687061823953059
Energy: 1.1807952079678452
Energy: 1.194964290194687
Energy: 1.194238622341437
Energy: 1.164026892070288
Energy: 1.1807518647364132
Energy: 1.1777743465450956
Energy: 1.1783759008688741
Energy: 1.248861289928682
Energy: 1.271293870385171
Energy: 1.178425280728305
Energy: 1.1775371413208764
Energy: 1.178339154638177
Energy: 1.248671869616814
Energy: 1.2711621118171545
Energy: 1.1783390693586544
Energy: 1.1647052282296844
Energy: 1.1952076825411448
Energy: 1.1801591430394174
Energy: 1.2747195454908062
Energy: 1.269665847575929
Energy: 1.164859327513419
Energy: 1.195439494342588
Energy: 1.1794702770624736
Energy: 1.2734225049204186
Energy: 1.2698742423221654

minimum gb energy = 1.161709368225894 eV
minimum distance =  2.31269333107485 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.1816717017952194
Energy: 1.241793375494395
Energy: 1.270739153413039
Energy: 1.266575973404609
Energy: 1.2675245808418896
Energy: 1.1697905939548119
Energy: 1.2568401030263632
Energy: 1.2706853304072518
Energy: 1.2927451859362702
Energy: 1.2117572059105046
Energy: 1.1575819260068558
Energy: 1.2413438951097768
Energy: 1.1924708041025707
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Energy: 1.2741495923308244
Energy: 1.1568170862753364
Energy: 1.2380440486395392
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Energy: 1.239213347686535
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Energy: 1.286051933054209
Energy: 1.1993739680473243
Energy: 1.15622751219813
Energy: 1.2639408204874694
Energy: 1.2840260081123835
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Energy: 1.2873617329552516
Energy: 1.216809724899254
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Energy: 1.1681898657151333
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Energy: 1.2890189034411392
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Energy: 1.2629076312852396
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Energy: 1.368494806165009
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Energy: 1.3219977362090478
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Energy: 1.1461313217382605
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Energy: 1.3312983752913565
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Energy: 1.2744441571889475
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Energy: 1.1943286901187729
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Energy: 1.2565368687476477
Energy: 1.1673796239445429
Energy: 1.3067184017987266
Energy: 1.3022548289686027
Energy: 1.3024867195682146
Energy: 1.171357206174278
Energy: 1.1862986969701372
Energy: 1.3052821401038903
Energy: 1.2756262919338524
Energy: 1.207544101697041
Energy: 1.175313911089767
Energy: 1.2675831096172736
Energy: 1.297000535273121
Energy: 1.2810215196393584
Energy: 1.2212752188103455
Energy: 1.1755142049533962
Energy: 1.2673735346310826
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Energy: 1.222079940524218
Energy: 1.259318555076476
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Energy: 1.24112945187418
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Energy: 1.243169932745856
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Energy: 1.2186171066039948
Energy: 1.2588940056082563
Energy: 1.3105504807449198
Energy: 1.2787100546963748
Energy: 1.1804552663396275
Energy: 1.3265910482930223
Energy: 1.2842176344060234
Energy: 1.1686780654723659
Energy: 1.1715442723539027
Energy: 1.1891022967661016
Energy: 1.3244334101680844
Energy: 1.2950868981741646
Energy: 1.2971942303778
Energy: 1.2945532418717063
Energy: 1.1628116554303831
Energy: 1.2231019251810828
Energy: 1.2209626459122902
Energy: 1.2996015296241745
Energy: 1.1941905216116444
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Energy: 1.3348557761598885
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Energy: 1.1431942494886893
Energy: 1.2927204358533768
Energy: 1.1563657500451323
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Energy: 1.140956075366208
Energy: 1.1450622342317454
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Energy: 1.1468103721044565
Energy: 1.150019034988656
Energy: 1.2426249635562026
Energy: 1.3408086709315121
Energy: 1.2789955133365356
Energy: 1.1547958021274465
Energy: 1.1552393550225402
Energy: 1.2524982099889013
Energy: 1.2859527370795802
Energy: 1.279901859978535
Energy: 1.1528271601437838
Energy: 1.1560265574893316
Energy: 1.2618070466827551
Energy: 1.2297204995719144
Energy: 1.1883184824901507
Energy: 1.2129366711393925
Energy: 1.2777117081098144
Energy: 1.2582562987785122
Energy: 1.2621736653905715
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Energy: 1.3903822037700935
Energy: 1.2771118069491327
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Energy: 1.1699860744498467
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Energy: 1.2760068793655541
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Energy: 1.17269931496775
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Energy: 1.3372759523316176
Energy: 1.1425023071768916
Energy: 1.1566212668034102
Energy: 1.1550912338027473
Energy: 1.280572159787372
Energy: 1.2942663512955934
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Energy: 1.2272502967903465
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Energy: 1.24407044565568
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Energy: 1.3469060737232492
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Energy: 1.190312772861848
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Energy: 1.2852981078951369
Energy: 1.2941611543356486
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Energy: 1.2942711299863785
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Energy: 1.2928766731875483
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Energy: 1.272567117486027
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Energy: 1.2648317437310228
Energy: 1.2335824780648141
Energy: 1.3141598011174547
Energy: 1.3483509412573067
Energy: 1.1558126950015932
Energy: 1.1603242139277834
Energy: 1.3260772673712822
Energy: 1.371469389205385
Energy: 1.3281295518196197
Energy: 1.1611934930668968
Energy: 1.2197390704260767
Energy: 1.3062737435382328
Energy: 1.357692787127549
Energy: 1.1551297328067347
Energy: 1.1553197464429565
Energy: 1.1561177020211866
Energy: 1.1847526624906763
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Energy: 1.1549743224726343
Energy: 1.1562567615576456
Energy: 1.1605671757720164
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Energy: 1.3112830437851868
Energy: 1.171537483475191
Energy: 1.1429385088942627
Energy: 1.1579852653118754
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Energy: 1.264198255659895
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Energy: 1.2898762003968707
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Energy: 1.2742061863622671
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Energy: 1.2549690514928427
Energy: 1.2149580034621603
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Energy: 1.2721647512835568
Energy: 1.3313408638656823
Energy: 1.228443605403228
Energy: 1.276663082591591
Energy: 1.2830265675689352
Energy: 1.1856071894878457
Energy: 1.144836122819271
Energy: 1.162892501297459
Energy: 1.2790624804369062
Energy: 1.3314861464018612
Energy: 1.1850792620171031
Energy: 1.1405739373321169
Energy: 1.2410533282866942
Energy: 1.2742321459843888
Energy: 1.2367392420954826
Energy: 1.1698677858795525
Energy: 1.1717859205114585
Energy: 1.1695564987717026
Energy: 1.2798162881117936
Energy: 1.1996786014856011
Energy: 1.1765651633692014
Energy: 1.169753208987888
Energy: 1.169206643519138
Energy: 1.3030783658988214
Energy: 1.3172025726383527
Energy: 1.1734925398927598
Energy: 1.1677193770033039
Energy: 1.281347024650076
Energy: 1.300906048647707
Energy: 1.3139532791610116
Energy: 1.1547948098966887
Energy: 1.1685142911265076
Energy: 1.28019115980602
Energy: 1.2764399158510988
Energy: 1.234470750747259
Energy: 1.1787086659462076
Energy: 1.2712418566033075
Energy: 1.2520021055883845
Energy: 1.3623886841489132
Energy: 1.2353411573702984
Energy: 1.178175098583012
Energy: 1.270653148641197
Energy: 1.245563572905261
Energy: 1.1596351032589987
Energy: 1.2756777483209811
Energy: 1.3279565817394163
Energy: 1.167279666577328
Energy: 1.2324485339758275
Energy: 1.1765626506450528
Energy: 1.2689919805494392
Energy: 1.2694939979405049
Energy: 1.171917681755504
Energy: 1.2646507289180209
Energy: 1.1973000924984136
Energy: 1.2732372548952242
Energy: 1.2910664480129004
Energy: 1.1540424733142922
Energy: 1.2455567077183523
Energy: 1.1926007262747091
Energy: 1.2656687773841768
Energy: 1.2887262483584372
Energy: 1.3012321193954517
Energy: 1.2510008795275982
Energy: 1.3534232186142332
Energy: 1.2834441269137553
Energy: 1.3010752931881908
Energy: 1.29309111361276
Energy: 1.205945875379929
Energy: 1.3252315431071513
Energy: 1.2846778823019025
Energy: 1.3009762807662655
Energy: 1.281871435212417
Energy: 1.1433870352043567
Energy: 1.2001318536349843
Energy: 1.2779879682527826
Energy: 1.2899151083761322
Energy: 1.2129505479162757
Energy: 1.2636532618979555
Energy: 1.187662668140724
Energy: 1.2822724450752156
Energy: 1.3024126171178045
Energy: 1.210552757746713
Energy: 1.2362761669740978
Energy: 1.325411077371957
Energy: 1.3677102424159258
Energy: 1.4075840922040441
Energy: 1.3166740055942525
Energy: 1.1495812022509457
Energy: 1.3142384740893247
Energy: 1.3586853654797058
Energy: 1.3770119767756854
Energy: 1.2931711333003275
Energy: 1.1538573477825447
Energy: 1.1582841529387504
Energy: 1.2577940594883619
Energy: 1.2483467606010639
Energy: 1.1514665566405096
Energy: 1.151775164576499
Energy: 1.139788966574518
Energy: 1.1763583234022503
Energy: 1.246256331201878
Energy: 1.1468463330620473
Energy: 1.1530854530566454
Energy: 1.172982320168853
Energy: 1.283443585204412
Energy: 1.2585616190429059
Energy: 1.1526971778536788
Energy: 1.1548393440633438
Energy: 1.166299970623347
Energy: 1.3976033750947991
Energy: 1.2540520272512077
Energy: 1.1589066874547191
Energy: 1.1560057552693068
Energy: 1.2794859681779298
Energy: 1.2824904257062977
Energy: 1.2383265644484087
Energy: 1.2169367522964216
Energy: 1.279715911089101
Energy: 1.283988858158686
Energy: 1.1738679988537932
Energy: 1.2240725409648374
Energy: 1.2526718198327638
Energy: 1.2797886289977491
Energy: 1.1628426053899337
Energy: 1.1619858228884667
Energy: 1.2810307928107132
Energy: 1.3675046647933051
Energy: 1.1740633821888402
Energy: 1.1553629809119985
Energy: 1.1568833285249513
Energy: 1.2722383154019117
Energy: 1.3698065029288813
Energy: 1.1746512534916056
Energy: 1.1665925914531792
Energy: 1.1614721677701363
Energy: 1.15831106350483
Energy: 1.151894768380131
Energy: 1.1414975757426644
Energy: 1.1638853259898123
Energy: 1.1776114227780683
Energy: 1.2871437994754122
Energy: 1.1512773524315032
Energy: 1.1609336499603453
Energy: 1.1581069990574369
Energy: 1.1583647961860608
Energy: 1.295343546925405
Energy: 1.2943871050222795
Energy: 1.2910736044643876
Energy: 1.149052685846348
Energy: 1.1657803738797372
Energy: 1.3008628330592371
Energy: 1.2926706675830528
Energy: 1.3204960315442407
Energy: 1.2581056147957477
Energy: 1.3217581482867806
Energy: 1.3442683236051889
Energy: 1.2268628385320957
Energy: 1.2058780455612694
Energy: 1.267692739769686
Energy: 1.3282613029001211
Energy: 1.3193536232773695
Energy: 1.2432812430050826
Energy: 1.3216973923024729

minimum gb energy = 1.1389896055090711 eV
minimum distance =  2.29707516589479 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 1.6731241043984333
Energy: 1.240015575060263
Energy: 1.2577529793795714
Energy: 1.2924034111103075
Energy: 1.3101110161043967
Energy: 1.1447169275657387
Energy: 1.239252766582588
Energy: 1.2559253869687028
Energy: 1.3237595524906158
Energy: 1.2609318564914571
Energy: 1.1021164895651199
Energy: 1.1903684293270165
Energy: 1.281713201960017
Energy: 1.2327567159351371
Energy: 1.331079105826754
Energy: 1.103856728264879
Energy: 1.1967634778675735
Energy: 1.284777768222459
Energy: 1.1919213329139544
Energy: 1.2962071504032078
Energy: 1.170531431676918
Energy: 1.1967084730019937
Energy: 1.243717861380389
Energy: 1.141135504250104
Energy: 1.2158828357136258
Energy: 1.171501362485681
Energy: 1.3182730861238814
Energy: 1.2508242720616076
Energy: 1.1312438194752392
Energy: 1.216344482310362
Energy: 1.132932409635781
Energy: 1.1676130956370938
Energy: 1.245757030508897
Energy: 1.244056072778021
Energy: 1.2210199760139062
Energy: 1.1326985623451198
Energy: 1.143724059083141
Energy: 1.2432155204946038
Energy: 1.2645658550852565
Energy: 1.2159133692855888
Energy: 1.2892916414558755
Energy: 1.21045555327559
Energy: 1.1637474765900906
Energy: 1.1649539363997632
Energy: 1.2322165714069786
Energy: 1.2868791982488805
Energy: 1.203282301481501
Energy: 1.2498080976069927
Energy: 1.1654545131079774
Energy: 1.2325915195917032
Energy: 1.1576737531884638
Energy: 1.1325245456438078
Energy: 1.2253664231246135
Energy: 1.2608220076630277
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Energy: 1.1570944196837143
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Energy: 1.3068465471524744
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Energy: 1.1442513853339675
Energy: 1.1829330046810707
Energy: 1.1660915884022904
Energy: 1.1686119156039851
Energy: 1.2206234862552818
Energy: 1.2795230849798462
Energy: 1.1785825814393476
Energy: 1.1676704111765934
Energy: 1.1690819619020447
Energy: 1.2538371533017494
Energy: 1.1735367513015535
Energy: 1.2016881737338667
Energy: 1.1052734352168936
Energy: 1.1311543886637712
Energy: 1.3388342069778376
Energy: 1.1909362464223812
Energy: 1.2597296019433593
Energy: 1.096213251687701
Energy: 1.1338529886167923
Energy: 1.2616545171053237
Energy: 1.1907090522423545
Energy: 1.1528539849519108
Energy: 1.248798732197623
Energy: 1.2168198823682923
Energy: 1.321238261426015
Energy: 1.1309174390436663
Energy: 1.1457621593460383
Energy: 1.2468792597512854
Energy: 1.2071115900164324
Energy: 1.3196876026015967
Energy: 1.1300968698648108
Energy: 1.3133323929798064
Energy: 1.3059458039830565
Energy: 1.1168601579151034
Energy: 1.3673045654284661
Energy: 1.2069349342181774
Energy: 1.2641363528612506
Energy: 1.271989139527961
Energy: 1.1170177141702269
Energy: 1.3067723637763968
Energy: 1.2057920223577117
Energy: 1.1011606063501742
Energy: 1.0993583670522054
Energy: 1.2070123718231354
Energy: 1.166514470411955
Energy: 1.1006521067149848
Energy: 1.0984560204918405
Energy: 1.1019703982819409
Energy: 1.205065920897577
Energy: 1.1467348230360423
Energy: 1.135868933865793
Energy: 1.1006756754972227
Energy: 1.099549676504036
Energy: 1.2572052630505814
Energy: 1.2432948103807728
Energy: 1.102819040633823
Energy: 1.1006651585742813
Energy: 1.0979257842743357
Energy: 1.3307607598422195
Energy: 1.2440049508433006
Energy: 1.1002593647431036
Energy: 1.101331422048163
Energy: 1.1093735980629251
Energy: 1.1907611216924208
Energy: 1.3026474437432152
Energy: 1.2064799066089607
Energy: 1.0999713639769688
Energy: 1.1193478268368722
Energy: 1.1941902890984342
Energy: 1.3021347519031814
Energy: 1.2042045788760378
Energy: 1.3137462360070402
Energy: 1.2125079526820377
Energy: 1.3115450737387435
Energy: 1.2080434812484588
Energy: 1.1209290423960767
Energy: 1.3118411003044408
Energy: 1.2120557135150745
Energy: 1.3472796671911256
Energy: 1.207570419787067
Energy: 1.206548906292573

minimum gb energy = 1.096213251687701 eV
minimum distance =  2.30491697409951 Angstroms
sigma value = 33