Model name: model_name=Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_004
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6111526265740403
cohesive_energy=4.249969113925499
mass=55.845
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=[0.0, 0.0, 0.0, 2.3958628949509198e-20, 1.6376167811440797e-19, 3.1426854893573397e-19, 4.29412177091412e-19, 5.057478828183419e-19, 5.49174880482912e-19, 5.707706193325979e-19, 5.886909649838879e-19, 6.04470802652154e-19, 6.183312327128879e-19, 6.304533011257319e-19, 6.40986010317648e-19, 6.5005913659598985e-19, 6.577832301485039e-19, 6.642560237498639e-19, 6.69559228408404e-19, 6.73766544249288e-19, 6.76946864867778e-19, 6.791546642694299e-19, 6.80446018636434e-19, 6.808657889145419e-19, 6.804139751037539e-19, 6.789511878369119e-19, 6.76297983331008e-19, 6.722396699170859e-19, 6.66518297157072e-19, 6.588278493138719e-19, 6.48796621408398e-19, 6.3597600398313e-19, 6.198020308629e-19, 5.974965277643519e-19, 5.66596949201028e-19, 5.2637110045119e-19, 4.7639120035355995e-19, 4.1620223074408197e-19, 3.44854100878794e-19, 2.60491490215524e-19, 1.6014075892156799e-19, 3.9723406157415597e-20, -1.074007891365462e-19, -2.9355560941138197e-19, -5.31948277314144e-19, -8.45401318343172e-19, -1.375255550796678e-18, -2.13486832127232e-18, -3.08705791662486e-18, -4.28715230255622e-18, -6.108218308293299e-18, -9.038375067150539e-18, -1.40918644755153e-17, -2.34492969975606e-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: 0.01642696167523724
Energy: 1.8422859702534626
Energy: 0.01723414649005489
Energy: 0.016704863172488173
Energy: 0.8661807096075785
Energy: 0.01700078808260149
Energy: 1.8422859702589798
Energy: 0.1272966196306183
Energy: 0.12730990920770266
Energy: 0.12774071427322772
Energy: 0.12736708052990278
Energy: 0.1289881700033687
Energy: 0.01723414648974062
Energy: 0.12730990920892482
Energy: 0.12849058520866674
Energy: 0.01687939639137848
Energy: 0.12733551033425194
Energy: 0.12817193779918445
Energy: 0.01670486317311673
Energy: 0.12774071427444994
Energy: 0.016879396390784847
Energy: 0.016859330911304482
Energy: 0.1274923168140867
Energy: 0.016873124200976787
Energy: 0.8661807096078927
Energy: 0.12736708053049647
Energy: 0.12733551033425194
Energy: 0.12749231681440096
Energy: 0.1273803181007766
Energy: 0.1276237319595323
Energy: 0.01700078808169358
Energy: 0.1289881700027751
Energy: 0.12817193779918445
Energy: 0.016873124201291067
Energy: 0.12762373196047516
Energy: 0.016811484085229637

minimum gb energy = 0.01642696167523724 eV
minimum distance =  2.55053075922539 Angstroms
sigma value = 1


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

Energy: 1.8882980898258521
Energy: 2.381894219163388
Energy: 1.1778555899338878
Energy: 1.479236310966064
Energy: 1.1280654341440328
Energy: 1.5707268027136774
Energy: 1.8929821046506816
Energy: 1.07905468151398
Energy: 1.070269167414557
Energy: 1.092801599294262
Energy: 1.1370448991512203
Energy: 1.0774822555880588
Energy: 1.9746334982115041
Energy: 1.0625042718781839
Energy: 1.0688989033206788
Energy: 1.0809459700027928
Energy: 1.103157570630817
Energy: 1.0777540188198937
Energy: 1.9743876277066015
Energy: 1.0921006908907223
Energy: 1.0930915517384603
Energy: 1.1167282040002866
Energy: 1.0649000750695123
Energy: 1.0383040554244043
Energy: 1.8389441437076273
Energy: 1.0796952557285746
Energy: 1.051636461623333
Energy: 1.1107789202142626
Energy: 1.093942223558528
Energy: 1.035039178708649
Energy: 1.6738828215438077
Energy: 1.0328887153782507
Energy: 1.0075003489832468
Energy: 1.0613501896377153
Energy: 1.1433466152637652
Energy: 1.031569165424429
Energy: 1.685336976922148
Energy: 0.9866097138188129
Energy: 0.9853428059387636
Energy: 1.0498374006519613
Energy: 1.0563478514395597
Energy: 0.9847052473396618
Energy: 1.7259444626507316
Energy: 1.114118495120686
Energy: 1.061794279433058
Energy: 1.148422577160576
Energy: 1.10695458044332
Energy: 1.008159454474616
Energy: 1.267610189848162
Energy: 0.9902707349932981
Energy: 0.9797948391784074
Energy: 1.0336051325414972
Energy: 0.9931954674008879
Energy: 1.0135080507218206
Energy: 1.374076898925366
Energy: 1.1193220678581455
Energy: 1.1012018496894906
Energy: 1.098174767083107
Energy: 1.1221445787332043
Energy: 1.079390098589809
Energy: 1.3588323231382722
Energy: 1.0521225710490092
Energy: 1.0556558605066353
Energy: 1.269560665795871
Energy: 1.073249451585759
Energy: 1.0819832382801124
Energy: 1.1388134827089367
Energy: 1.0908272035141524
Energy: 1.0810648053119987
Energy: 1.1401750262545425
Energy: 1.0828704135459963
Energy: 0.9854361938632044
Energy: 1.118674587984307
Energy: 1.109022584683209
Energy: 1.082757858549952
Energy: 1.1187826532410508
Energy: 1.1053716348643219
Energy: 1.1115707277981122
Energy: 1.281934727318785
Energy: 1.0815584986483333
Energy: 1.1120210897812954
Energy: 1.1680189235529792
Energy: 1.1059142855685635
Energy: 1.1403983893839122
Energy: 1.1827537577844638
Energy: 1.11360002003728
Energy: 1.066144829135906
Energy: 1.1203160654239184
Energy: 1.1229718955774755
Energy: 1.1121012043699172
Energy: 1.1740137177194507
Energy: 1.060863203513516
Energy: 1.0227706725242491
Energy: 1.0784271158432168
Energy: 1.1240184235092112
Energy: 1.043933487686481
Energy: 1.5860482738221904
Energy: 1.1116923760888033
Energy: 1.0042849347538692
Energy: 1.0629884966313727
Energy: 1.0279997292765435
Energy: 1.00885253894341
Energy: 1.4617984432756774
Energy: 1.028988445160379
Energy: 1.0302258004226408
Energy: 1.083280812391746
Energy: 1.0779731247714255
Energy: 1.0533556674691271
Energy: 1.458097649456172
Energy: 1.0266129180176389
Energy: 1.0210969234374365
Energy: 1.0619251448356826
Energy: 1.072688245876346
Energy: 1.0490459742140046
Energy: 1.870523167187094
Energy: 1.0350496127681166
Energy: 1.0144479608325787
Energy: 1.0905267003799073
Energy: 1.0432556783498126
Energy: 1.045236021313658
Energy: 1.837832413680104
Energy: 1.062522158542264
Energy: 0.9802231903226908
Energy: 1.0271328687901946
Energy: 1.1251908247658113
Energy: 1.023213337388132
Energy: 1.8513818923631324
Energy: 1.0097550210626116
Energy: 1.0105345473468819
Energy: 1.0347140962048855
Energy: 1.053952812837241
Energy: 1.0454418563714996
Energy: 1.864682421919746
Energy: 1.0971399766830305
Energy: 1.0977837396420052
Energy: 1.090379242985823
Energy: 1.1308791142209282
Energy: 1.075364311631935

minimum gb energy = 0.9797948391784074 eV
minimum distance =  2.32515726457502 Angstroms
sigma value = 33


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

Energy: 2.192144486934554
Energy: 1.6199953633707165
Energy: 1.7360477238264689
Energy: 1.778065453681051
Energy: 1.786984474628812
Energy: 1.4237874074774455
Energy: 1.979161982581183
Energy: 1.0907985418720316
Energy: 1.0924359062455002
Energy: 1.166265963038924
Energy: 1.0879315291261837
Energy: 1.093941484597153
Energy: 1.8341304999367614
Energy: 1.1684870726886138
Energy: 1.178201243222978
Energy: 1.133155427996384
Energy: 1.1680601364340164
Energy: 1.1175676625623079
Energy: 1.8011043545940566
Energy: 1.2204156460834317
Energy: 1.1585523592145979
Energy: 1.4344738753173232
Energy: 1.2193530488899793
Energy: 1.099086937721905
Energy: 1.9025462690617825
Energy: 1.1433847606983292
Energy: 1.1200562328676533
Energy: 1.140938703564133
Energy: 1.1638033955462097
Energy: 1.1256039070057533
Energy: 1.7676175700861128
Energy: 1.0512041038889626
Energy: 1.0689231520266218
Energy: 1.1211008110829037
Energy: 1.0858269065384003
Energy: 1.0695800416757668
Energy: 1.734048887198597
Energy: 1.017043776456808
Energy: 1.0292302082194391
Energy: 1.1293892681219757
Energy: 1.0832180697495344
Energy: 1.0257626109074192
Energy: 1.635154950988966
Energy: 1.11720136225547
Energy: 1.1239571583795644
Energy: 1.2429901817661027
Energy: 1.145489867978627
Energy: 1.1206704920463884
Energy: 1.2993279255735004
Energy: 1.0841067360350825
Energy: 1.0333354105795634
Energy: 1.117612696069447
Energy: 1.1329231734346157
Energy: 1.112571574604561
Energy: 1.2949424747704104
Energy: 1.1229580102327574
Energy: 1.1027194744136581
Energy: 1.1090180234553986
Energy: 1.1338856104691555
Energy: 1.032288185146877
Energy: 1.3005593085565208
Energy: 1.0941409019415342
Energy: 1.0946388691236268
Energy: 1.1973295544144598
Energy: 1.0943071031063736
Energy: 1.0950272613471723
Energy: 1.1492911470221452
Energy: 1.0148570327185191
Energy: 1.1138562141913773
Energy: 1.054611429688347
Energy: 1.0207537761887082
Energy: 1.0324572321159604
Energy: 1.1737845169275678
Energy: 1.1369888484895234
Energy: 1.095312361488712
Energy: 1.1255994015998865
Energy: 1.1397881250333768
Energy: 1.1375011602082445
Energy: 1.4203930540063752
Energy: 1.2444546565308683
Energy: 1.2241619956768612
Energy: 1.1635244607584312
Energy: 1.2090583551035157
Energy: 1.1562853335279273
Energy: 1.3420720187767583
Energy: 1.0356320108007047
Energy: 1.0764128354757683
Energy: 1.163134556091121
Energy: 1.1151646859534137
Energy: 1.0923750954930065
Energy: 1.5040905550540127
Energy: 1.0640290987806131
Energy: 1.060104610385056
Energy: 1.0739786693405142
Energy: 1.102339046993211
Energy: 1.0670522733393104
Energy: 1.8271043994774125
Energy: 1.12308427403484
Energy: 1.0954911363100768
Energy: 1.107079344681284
Energy: 1.1201714660158988
Energy: 1.1327901165935879
Energy: 1.4803818786552907
Energy: 1.1591042108334582
Energy: 1.1425207293174384
Energy: 1.1462059076603812
Energy: 1.125527038744133
Energy: 1.1034968779241698
Energy: 1.478609525644037
Energy: 1.1137003496292552
Energy: 1.1029456363565695
Energy: 1.1107091219287488
Energy: 1.1166868378911736
Energy: 1.123693313014596
Energy: 1.8592541570661856
Energy: 1.0748412628363344
Energy: 1.0233006539019331
Energy: 1.1280741806467156
Energy: 1.1006612376000775
Energy: 1.032186537470783
Energy: 2.03057715590485
Energy: 1.079455212510799
Energy: 1.0941746794185374
Energy: 1.2075171356497163
Energy: 1.124912015995017
Energy: 1.0944302413677875
Energy: 1.9235587008813477
Energy: 1.0423499602351065
Energy: 1.0516280383715755
Energy: 1.2065476507845396
Energy: 1.0863251855626
Energy: 1.0934062237995967
Energy: 1.7240069970636387
Energy: 1.1454230073317262
Energy: 1.1348164681996888
Energy: 1.1408998840607343
Energy: 1.1368360862583686
Energy: 1.0842161122972922
Energy: 1.8226016000101422
Energy: 1.2978909490520059
Energy: 1.285493039164163
Energy: 1.2368787937430648
Energy: 1.2851387315418832
Energy: 1.2274809595334084
Energy: 1.8129721710402633
Energy: 1.139114445377852
Energy: 1.1359159368045875
Energy: 1.1164541107332573
Energy: 1.139161034156438
Energy: 1.0712129835878685
Energy: 1.7148331906478862
Energy: 1.0921899038540213
Energy: 1.0811860032753298
Energy: 1.1583103616512307
Energy: 1.0844487832305703
Energy: 1.082339427870111
Energy: 1.774682028667793
Energy: 1.069916557115925
Energy: 1.0531765021808404
Energy: 1.1698308896256993
Energy: 1.1101015897890114
Energy: 1.08051992886409
Energy: 1.7377365793955888
Energy: 1.113886676387127
Energy: 1.087095636111457
Energy: 1.1846561464528165
Energy: 1.1094077163810065
Energy: 1.1205452134546854
Energy: 1.323166289436542
Energy: 1.1238172735235996
Energy: 1.0987535133337538
Energy: 1.1139786781809353
Energy: 1.1453037933167978
Energy: 1.1015064335468054
Energy: 1.2910168621512597
Energy: 1.039989689521385
Energy: 1.0368590407004044
Energy: 1.1001471389157687
Energy: 1.1312031502218831
Energy: 1.0390865143185533
Energy: 1.6305368420481559
Energy: 1.0941185591112372
Energy: 1.0949079617496775
Energy: 1.1211123291717273
Energy: 1.0949973167319365
Energy: 1.094633135863339
Energy: 1.2049025891295435
Energy: 1.0076529023531693
Energy: 1.0804902157132164
Energy: 1.0831113608772367
Energy: 1.1222533566985682
Energy: 1.101183550126078
Energy: 1.1806875922292985
Energy: 1.051374103473184
Energy: 1.0970599341302345
Energy: 1.1370893808069054
Energy: 1.148429261661583
Energy: 1.0658306074478052
Energy: 1.208213510934009
Energy: 1.1618558538848125
Energy: 1.2421126253046466
Energy: 1.1540749455625465
Energy: 1.1842802507026873
Energy: 1.222721040726663
Energy: 1.365983150599917
Energy: 1.0583534338723173
Energy: 1.0609983923178046
Energy: 1.15540811445956
Energy: 1.1062506499684497
Energy: 1.1017573197784893
Energy: 1.2727418320224242
Energy: 1.051639077280408
Energy: 1.161241336980432
Energy: 1.1384804381356277
Energy: 1.1114637666073126
Energy: 1.0945791876468725
Energy: 1.3127805875121097
Energy: 1.1435627696054123
Energy: 1.1408551953524702
Energy: 1.1175767094137636
Energy: 1.1558345875039011
Energy: 1.133922504159612
Energy: 1.4785893455647237
Energy: 1.156512748903937
Energy: 1.152997773995092
Energy: 1.1434415922800933
Energy: 1.1597034892707914
Energy: 1.0605317203053155
Energy: 1.479416043592347
Energy: 1.1665627278331023
Energy: 1.16597090075925
Energy: 1.1447760479361284
Energy: 1.1366242496298207
Energy: 1.1153935566706281
Energy: 1.833426412707702
Energy: 1.1235296690547667
Energy: 1.1069488581190698
Energy: 1.1841140258045153
Energy: 1.1136413284402031
Energy: 1.1155579538262432
Energy: 2.09648305934635
Energy: 1.1182444555818263
Energy: 1.1437376705724231
Energy: 1.2269167516561232
Energy: 1.1191495811540888
Energy: 1.150460923847187

minimum gb energy = 1.0076529023531693 eV
minimum distance =  2.30448356521425 Angstroms
sigma value = 51


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

Energy: 1.952548354273252
Energy: 1.8381124244072113
Energy: 2.0501598091123086
Energy: 1.5488251925562968
Energy: 1.198451622680103
Energy: 1.5357108738765546
Energy: 2.0977399283114027
Energy: 1.144822931234801
Energy: 1.1782851677154513
Energy: 1.0560494538163723
Energy: 1.144870601083564
Energy: 1.0997119584964758
Energy: 1.834860824099462
Energy: 1.1075594081412523
Energy: 1.107309051659041
Energy: 1.108084384319576
Energy: 1.1068040626346056
Energy: 1.1313360103933123
Energy: 1.747947807098783
Energy: 1.213849968234286
Energy: 1.1944938404614382
Energy: 1.1557386606638795
Energy: 1.253289769279236
Energy: 1.1332929584111056
Energy: 1.7055401462086337
Energy: 1.0961482966177245
Energy: 1.0988877986073213
Energy: 1.151098661726401
Energy: 1.096348167890095
Energy: 1.0464221223208459
Energy: 1.3980082392342543
Energy: 1.099105686000984
Energy: 1.1480590806573727
Energy: 1.124662469649855
Energy: 1.1028959176938167
Energy: 1.1322755702874585
Energy: 1.4012256299394754
Energy: 1.0510356026641954
Energy: 1.0934036629617765
Energy: 1.1258119442411028
Energy: 1.150782101156294
Energy: 1.0875062478772752
Energy: 1.6692956183613779
Energy: 1.2220114696248179
Energy: 1.2215502557468567
Energy: 1.440003529492699
Energy: 1.1517624627235532
Energy: 1.19729282271203
Energy: 1.2110280890307343
Energy: 1.113754838931446
Energy: 1.1710515893033933
Energy: 1.2107958729572281
Energy: 1.113528606733524
Energy: 1.0944842793772442
Energy: 1.1152759249703137
Energy: 1.1137653968306995
Energy: 1.1037099314819847
Energy: 1.1151152435678156
Energy: 1.1136893719317393
Energy: 1.0884209606586608
Energy: 1.215000936100518
Energy: 1.1176589274561737
Energy: 1.1169187059825905
Energy: 1.2161803790619876
Energy: 1.1163908255401649
Energy: 1.1177315251798465
Energy: 1.2974629007187113
Energy: 1.1131599500482148
Energy: 1.103867224689137
Energy: 1.099686735266895
Energy: 1.0958864433931519
Energy: 1.0880059497300683
Energy: 1.209968573281056
Energy: 1.1513394989825885
Energy: 1.1771384661470254
Energy: 1.095164437402325
Energy: 1.2129377499069138
Energy: 1.1280961396735598
Energy: 1.6159773509126953
Energy: 1.1331049797335098
Energy: 1.1324185914923641
Energy: 1.4622201261824264
Energy: 1.1619823614995326
Energy: 1.1352400769352322
Energy: 1.5300987659804939
Energy: 1.1281752095899094
Energy: 1.1281961824923263
Energy: 1.1418941403581098
Energy: 1.1390838247283128
Energy: 1.0920662380684842
Energy: 1.549968480500701
Energy: 1.1455479827942616
Energy: 1.103933545155779
Energy: 1.131501522569621
Energy: 1.0735648904582697
Energy: 1.1551704361707482
Energy: 1.7685969655965026
Energy: 1.078646352448078
Energy: 1.0870501337911336
Energy: 1.1903805795874176
Energy: 1.078798940740179
Energy: 1.1264074961082704
Energy: 1.8941087997249102
Energy: 1.3037431869412583
Energy: 1.1785045575402708
Energy: 1.1912031509065002
Energy: 1.1245600829772218
Energy: 1.1783904019844234

minimum gb energy = 1.0464221223208459 eV
minimum distance =  2.32033370411802 Angstroms
sigma value = 19


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

Energy: 1.7903433582479935
Energy: 1.3038701852320935
Energy: 1.3164700486534748
Energy: 1.324479199445442
Energy: 1.1197415634018741
Energy: 1.4347759679194583
Energy: 1.7676649209561683
Energy: 1.0999110791410114
Energy: 1.1113171576892609
Energy: 1.1261947035447748
Energy: 1.0827016879005114
Energy: 1.1162323317629936
Energy: 1.8403897903399566
Energy: 1.2152168860460608
Energy: 1.0657427474169234
Energy: 1.087419615365511
Energy: 1.0655892520521086
Energy: 1.2231817109783787
Energy: 1.4463533494818688
Energy: 1.2244614186153562
Energy: 1.2082614880366669
Energy: 1.241388878822113
Energy: 1.16060625311109
Energy: 1.2186779234116119
Energy: 1.7880986509884835
Energy: 1.1976057442529837
Energy: 1.1419294409379066
Energy: 1.286042821294921
Energy: 1.1837639805507663
Energy: 1.2177369266621498
Energy: 1.4981548460864782
Energy: 1.1248081642782226
Energy: 1.231140422071953
Energy: 1.2730608720795638
Energy: 1.0785116465288043
Energy: 1.2751791411835969
Energy: 1.493717031206927
Energy: 1.2065752283466142
Energy: 1.266491228419424
Energy: 1.267555553069944
Energy: 1.1944748657725357
Energy: 1.2667119149813248
Energy: 1.5141243344181183
Energy: 1.1263692621739785
Energy: 1.1315912812590359
Energy: 1.524576569423898
Energy: 1.173388142435138
Energy: 1.1544155865601244
Energy: 1.1968013024266564
Energy: 1.1329968321453254
Energy: 1.1191999411747175
Energy: 1.1973243516666736
Energy: 1.147476529953806
Energy: 1.0880112990531323
Energy: 1.2063617612064295
Energy: 1.2330874961804128
Energy: 1.2220674442295865
Energy: 1.1876292407875702
Energy: 1.2389024893495946
Energy: 1.2316727134271996
Energy: 1.2079663863172956
Energy: 1.2330150369679143
Energy: 1.2330040867671754
Energy: 1.1994761676270362
Energy: 1.2258974223842085
Energy: 1.2070450706175437
Energy: 1.472718942538031
Energy: 1.2309477003927638
Energy: 1.2306693476603916
Energy: 1.2087872343485608
Energy: 1.2962311431400788
Energy: 1.2099383060425175
Energy: 1.0801806011182642
Energy: 1.3370127626200758
Energy: 1.3319643269855217
Energy: 1.0835288097503255
Energy: 1.3338799412317477
Energy: 1.3567673405297926
Energy: 1.641779850011704
Energy: 1.319649631192386
Energy: 1.3201473725168205
Energy: 1.2159727206022113
Energy: 1.3300075440839108
Energy: 1.3576026506108028
Energy: 1.612335025569666
Energy: 1.2348115864108231
Energy: 1.2393147181605026
Energy: 1.1460126738755183
Energy: 1.2295288098784067
Energy: 1.0966476994212695
Energy: 1.6128469346722694
Energy: 1.2657232906177114
Energy: 1.1543901440837177
Energy: 1.1728780884557033
Energy: 1.3075398347540483
Energy: 1.1386429613592381
Energy: 1.8104599596154562
Energy: 1.2057667878827876
Energy: 1.2289436080873217
Energy: 1.2753219454326514
Energy: 1.1981676972209916
Energy: 1.2326202093004435
Energy: 1.4352407521689168
Energy: 1.1949727104914616
Energy: 1.2023443575606902
Energy: 1.229247146137399
Energy: 1.1972295187513662
Energy: 1.2032026757743313
Energy: 1.440590136356747
Energy: 1.2167860268966608
Energy: 1.2109339774646999
Energy: 1.239921672531472
Energy: 1.2165009418313553
Energy: 1.2105108209913416
Energy: 1.7181643870495582
Energy: 1.097105033503518
Energy: 1.241488717554963
Energy: 1.2914652632537031
Energy: 1.0986845941078462
Energy: 1.2301209315580481
Energy: 1.5076300727684102
Energy: 1.341466766144761
Energy: 1.3413633940361267
Energy: 1.3314069659182823
Energy: 1.2190519981068744
Energy: 1.3510969178948105
Energy: 1.4954093957784653
Energy: 1.1976861157049319
Energy: 1.2645668348965091
Energy: 1.241508628914424
Energy: 1.200247667123588
Energy: 1.2615892811893044
Energy: 1.5267685176895982
Energy: 1.1512709969894255
Energy: 1.2690055670803335
Energy: 1.5446477072904887
Energy: 1.2631816830216234
Energy: 1.3139208769278439
Energy: 1.2005243844028737
Energy: 1.2814415656350977
Energy: 1.2303685462476752
Energy: 1.203876040014688
Energy: 1.123622023202716
Energy: 1.2366181988859615
Energy: 1.2043210833233036
Energy: 1.2170650201537807
Energy: 1.338791241923974
Energy: 1.1960031191193612
Energy: 1.2332561136569435
Energy: 1.2120923454618193
Energy: 1.4691421272348923
Energy: 1.2315840887138116
Energy: 1.2412169652830303
Energy: 1.0955552508921362
Energy: 1.2388044427256204
Energy: 1.224874846784952
Energy: 1.4976729375677562
Energy: 1.2301885015064655
Energy: 1.2095040529401844
Energy: 1.1268082977404894
Energy: 1.2360094855661445
Energy: 1.226682259429382
Energy: 1.0801870857967582
Energy: 1.2767751488116548
Energy: 1.1485935432988894
Energy: 1.0803451476428763
Energy: 1.148585283545892
Energy: 1.2835841902878449
Energy: 1.711027196694518
Energy: 1.131009746068351
Energy: 1.1398700047011119
Energy: 1.0597854630602304
Energy: 1.1142018272902048
Energy: 1.2823796771612663
Energy: 1.724657027426177
Energy: 1.1464552304687992
Energy: 1.1568597642057676
Energy: 1.1725740410668275
Energy: 1.1515446090000747
Energy: 1.2114190922149068

minimum gb energy = 1.0597854630602304 eV
minimum distance =  2.30934240139503 Angstroms
sigma value = 27


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

Energy: 1.433591707076667
Energy: 1.9027806212269807
Energy: 1.8847381742685825
Energy: 1.1714326835865676
Energy: 1.3015206031279734
Energy: 1.884714922275538
Energy: 1.8478121163954333
Energy: 1.1107253848624339
Energy: 1.108740240329
Energy: 0.9627572258696027
Energy: 1.0789123102411637
Energy: 0.9920269439098119
Energy: 1.8627498699511837
Energy: 1.2311461331881144
Energy: 1.2303579844125865
Energy: 1.0211819929626302
Energy: 1.2025869685641515
Energy: 1.2382606379540138
Energy: 1.8514557822903526
Energy: 1.2585987150491489
Energy: 1.2693014989427132
Energy: 0.9982499609687183
Energy: 1.2989357576752818
Energy: 1.1872683377695896
Energy: 1.5103654981706942
Energy: 1.0434989637574892
Energy: 1.0046029076496565
Energy: 1.0816366815856417
Energy: 1.1025590492487516
Energy: 1.0048894591347348
Energy: 1.2045819581569097
Energy: 1.0428517222652696
Energy: 1.0622222082944464
Energy: 1.204576448569192
Energy: 1.1135010570636692
Energy: 1.0609049060018256
Energy: 1.1530391927724397
Energy: 0.9674988929023746
Energy: 0.96295062096337
Energy: 1.0751644798809517
Energy: 0.9799898248670472
Energy: 1.1083534378802167
Energy: 1.2089410512134393
Energy: 1.1826093333552778
Energy: 1.2351992913335923
Energy: 1.2100938315430716
Energy: 1.2200893967198616
Energy: 1.2360251101403035
Energy: 1.3878144310707108
Energy: 1.1631207793210403
Energy: 1.0093514902449081
Energy: 1.0646921153341544
Energy: 1.0417370439290337
Energy: 1.009315417446646
Energy: 1.0061798382555789
Energy: 1.0625983072078666
Energy: 1.0874906893068659
Energy: 1.0630018550040343
Energy: 1.0357403054990977
Energy: 1.0510111433271292
Energy: 1.4182839835792855
Energy: 1.0877485126153623
Energy: 1.0918459381809749
Energy: 1.062768798575178
Energy: 1.099906138557183
Energy: 1.091736177634713
Energy: 1.9324423652923406
Energy: 1.0826637903560834
Energy: 1.0700724151791368
Energy: 0.963120391816615
Energy: 1.0535026125521556
Energy: 0.9640050684263427

minimum gb energy = 0.9627572258696027 eV
minimum distance =  2.34030944591752 Angstroms
sigma value = 9


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

Energy: 2.2385746017063703
Energy: 1.4445330118766282
Energy: 1.2390763169586525
Energy: 1.8586683915675895
Energy: 1.3000757372107306
Energy: 1.2201040612363858
Energy: 1.4510073454397376
Energy: 0.9976906367467191
Energy: 1.010300795369521
Energy: 0.9523805639545281
Energy: 0.9868841396616573
Energy: 0.8967669926187135
Energy: 1.3976657604756115
Energy: 1.0299604629085672
Energy: 1.01646976771431
Energy: 1.0650141983125365
Energy: 1.0509398065167372
Energy: 1.00666279699505
Energy: 1.4072615844337757
Energy: 1.0481459271057751
Energy: 1.055760584022277
Energy: 1.0830714991964288
Energy: 1.030818419294092
Energy: 1.0594385117784904
Energy: 1.4289623806424299
Energy: 1.0769460185754844
Energy: 1.069657355039614
Energy: 1.2326196252139203
Energy: 0.9621278591387817
Energy: 1.159333231304618
Energy: 1.1500857009990746
Energy: 1.1941198881500499
Energy: 1.1897218603582451
Energy: 1.151815822774942
Energy: 1.2028824570721663
Energy: 1.186075099461363
Energy: 0.9979616635646057
Energy: 0.8803688621347212
Energy: 0.8992167681584305
Energy: 0.9975592307735867
Energy: 0.8773928974360353
Energy: 0.8978009866680607
Energy: 1.1147877953328227
Energy: 1.0692593457082529
Energy: 1.137281333465799
Energy: 1.1155702136850203
Energy: 1.103055448616981
Energy: 1.1222499537169401
Energy: 1.3714892157039478
Energy: 1.1109152171127843
Energy: 1.0378470254457615
Energy: 1.1151505172856635
Energy: 1.0086135143070312
Energy: 1.09661927026413
Energy: 1.6219200232207387
Energy: 1.1744097725628093
Energy: 1.1800433176485288
Energy: 1.2068923322320788
Energy: 1.174987360589968
Energy: 1.1640885190073953
Energy: 1.5998071762430708
Energy: 1.041777428607739
Energy: 1.000286468128543
Energy: 1.1345471785026908
Energy: 1.1140216971801973
Energy: 0.9861834597459893
Energy: 1.5001424167515371
Energy: 0.9873303376958922
Energy: 1.0075741920461456
Energy: 0.972609674369824
Energy: 1.0655556695486137
Energy: 0.8729033325379061
Energy: 1.9575147436308569
Energy: 1.2717567251766175
Energy: 1.6390403219025858
Energy: 1.3300187011398548
Energy: 1.3485864866965964
Energy: 1.3321742381209976
Energy: 1.3531217704327687
Energy: 1.0604556237466738
Energy: 0.9468829537868433
Energy: 0.917658857382919
Energy: 0.9694262106708902
Energy: 0.9442684015132584
Energy: 0.9801942393704272
Energy: 0.9823139869618213
Energy: 0.9657190691688534
Energy: 1.049638945734488
Energy: 1.0011861028494478
Energy: 1.0309359285940334
Energy: 0.9681087883678511
Energy: 0.908319016442764
Energy: 0.9398767824771586
Energy: 0.9713365981860752
Energy: 0.8976236928886855
Energy: 0.9400808011644299
Energy: 1.2220403297408466
Energy: 0.9652715119814141
Energy: 1.074663818033441
Energy: 1.221906360190378
Energy: 0.9893439548275866
Energy: 1.080988180115734
Energy: 1.3491032528773594
Energy: 1.19312989326138
Energy: 1.2453523495944807
Energy: 1.2887208247743416
Energy: 1.1635907151272682
Energy: 1.2451833883441068
Energy: 1.1041454890762374
Energy: 0.8989886698508811
Energy: 0.9236037829838676
Energy: 0.9678992560922264
Energy: 0.8927902613619731
Energy: 0.9361786881048882
Energy: 1.0583051046852756
Energy: 0.9459873516830084
Energy: 0.9279902524756781
Energy: 1.0008638105321046
Energy: 0.9763581735516984
Energy: 0.9433648739180144
Energy: 1.354921914311805
Energy: 0.9832801284894576
Energy: 0.9281421701852702
Energy: 0.9066380779662514
Energy: 0.9682207889236722
Energy: 0.9232130818094896
Energy: 2.1995647352696075
Energy: 1.2888090373697019
Energy: 1.2619499716712632
Energy: 1.0922001684978728
Energy: 1.3537377931701144
Energy: 1.1647081489180267
Energy: 1.8509609392934687
Energy: 1.043207245339262
Energy: 1.038226893764202
Energy: 1.055080885492077
Energy: 1.0061538196730002
Energy: 1.0874707346301868
Energy: 1.441621379885634
Energy: 0.9805718368343347
Energy: 0.9685536208485765
Energy: 0.9880129377311331
Energy: 0.969307345334588
Energy: 0.9081388559757821
Energy: 1.4241370472116743
Energy: 1.2218262016641355
Energy: 1.1840774064871653
Energy: 1.23824629261424
Energy: 1.1146706052584168
Energy: 1.1878915042038398
Energy: 1.3227294692595175
Energy: 0.9209546052054282
Energy: 0.9142970890838941
Energy: 1.0113723914858335
Energy: 0.9190220041937063
Energy: 0.9468673479702808
Energy: 1.2639319117589314
Energy: 1.3212420754791554
Energy: 1.1712751949266929
Energy: 1.2642638916566868
Energy: 1.4471044488515177
Energy: 1.1998151139613367
Energy: 0.9980436572244321
Energy: 0.9023898490369503
Energy: 0.9170378132424457
Energy: 1.0877767116741497
Energy: 0.8916030703839529
Energy: 0.9223249063498185
Energy: 1.0712473912060614
Energy: 0.9970999548627322
Energy: 1.01672917089383
Energy: 1.0344690886532297
Energy: 1.0409177536348841
Energy: 1.0521481292456065
Energy: 1.394788993448502
Energy: 1.0775955085463649
Energy: 1.1279456005027537
Energy: 1.3602978060602764
Energy: 1.09414452145034
Energy: 1.1300063418572837
Energy: 1.6121141720343621
Energy: 1.0416344034238336
Energy: 0.9692719151517377
Energy: 1.1348588864441183
Energy: 1.0221080661208604
Energy: 0.9872603474729948
Energy: 1.6639760955204277
Energy: 1.1528406419892043
Energy: 1.1795573878755978
Energy: 1.1383381730635216
Energy: 1.158316013953427
Energy: 1.144001620063734
Energy: 1.49146941524667
Energy: 1.0082205516032665
Energy: 0.9378670061657287
Energy: 0.8962744826009478
Energy: 1.0022210525828197
Energy: 0.883794585938068
Energy: 1.9329684555914308
Energy: 1.202579292342576
Energy: 1.2129041752952723
Energy: 1.1249923982987016
Energy: 1.1812975293423507
Energy: 1.1616653979627065
Energy: 1.729995677225836
Energy: 1.066622930342718
Energy: 1.0177582376719332
Energy: 1.0789174540159636
Energy: 1.153832096671793
Energy: 0.9237766622592315
Energy: 1.2676685910478838
Energy: 0.963613418823607
Energy: 1.004950572866834
Energy: 1.1973131504599086
Energy: 0.9859400071741926
Energy: 0.9922549383355191
Energy: 0.9900055902719765
Energy: 0.9852374494720506
Energy: 0.9614150185638602
Energy: 0.9914735902288996
Energy: 1.062661190841068
Energy: 0.984166210592219
Energy: 0.978422451273429
Energy: 1.0213629191327753
Energy: 0.9223364683102488
Energy: 0.9755045918345723
Energy: 0.9573603821486751
Energy: 0.9353652187244429
Energy: 1.3324373565873562
Energy: 1.3109132547314664
Energy: 1.1989660468518928
Energy: 1.343260505809998
Energy: 1.6515442233825801
Energy: 1.278191949234527
Energy: 1.108720443563548
Energy: 1.0204124781406918
Energy: 0.9219445099930752
Energy: 0.9788282998039897
Energy: 0.8998701530540658
Energy: 0.9477725978595432
Energy: 1.0567278782177238
Energy: 0.951645273438943
Energy: 0.9570706479297949
Energy: 0.9941986190143103
Energy: 0.9984339746767295
Energy: 0.9425426724637211
Energy: 1.2046100482817796
Energy: 0.9598311048341717
Energy: 0.943121396658977
Energy: 1.0285047707771062
Energy: 0.9681508667551132
Energy: 0.9447700853616222
Energy: 1.8498463554688889
Energy: 1.0984646116552845
Energy: 1.0712714684463125
Energy: 1.0114626831301516
Energy: 1.0943096862234316
Energy: 1.0978872603662686

minimum gb energy = 0.8729033325379061 eV
minimum distance =  2.35131860950388 Angstroms
sigma value = 57


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

Energy: 0.5940936387427925
Energy: 1.1624651082403785
Energy: 0.5170473939902662
Energy: 0.5970391774362078
Energy: 1.6345908854557702
Energy: 0.5172110440912967
Energy: 1.0187046658191738
Energy: 0.5344812341913245
Energy: 0.5294274607075098
Energy: 0.6076848060244256
Energy: 0.5788260013159919
Energy: 0.528131763947005
Energy: 0.6944711364527552
Energy: 0.6130588841621308
Energy: 0.6130774045253674
Energy: 0.5506879274768531
Energy: 0.6131226752964667
Energy: 0.6130789761995822
Energy: 0.6948224067546305
Energy: 0.6135704596762369
Energy: 0.6135171278712117
Energy: 0.5511926481496474
Energy: 0.6137189372191876
Energy: 0.6124757654640206
Energy: 0.689102090792013
Energy: 0.5729335108530039
Energy: 0.517253192637635
Energy: 0.5381205029756461
Energy: 0.5951962967573934
Energy: 0.5356450530640606
Energy: 0.6480588970090617
Energy: 0.5172464484370511
Energy: 0.52816438454748
Energy: 0.5837766515807765
Energy: 0.5950770690055461
Energy: 0.5208827855866613
Energy: 0.6401670589292148
Energy: 0.5343693746141711
Energy: 0.5334561778887805
Energy: 0.6410306550325054
Energy: 0.5358900930983369
Energy: 0.534625600686366
Energy: 0.6473317158814259
Energy: 0.5680535512869993
Energy: 0.6155572238338447
Energy: 0.6139053545409588
Energy: 0.5516037814653179
Energy: 0.615168185394963
Energy: 1.0933570992499457
Energy: 0.536943376062895
Energy: 0.5497468967773822
Energy: 0.6122286741353246
Energy: 0.5515462833754067
Energy: 0.5489932627579783
Energy: 0.5949949859686344
Energy: 0.5386536584512474
Energy: 0.5255635499410306
Energy: 0.5950440436717084
Energy: 0.6077295809183391
Energy: 0.5225691980332897
Energy: 0.595049493008197
Energy: 0.5364522299474084
Energy: 0.5360627838054897
Energy: 0.5950965526247851
Energy: 0.5812178088864579
Energy: 0.5217492254107834
Energy: 0.6907335132800735
Energy: 0.6100412091287312
Energy: 0.5369327614126388
Energy: 0.537407902957018
Energy: 0.609821389060434
Energy: 0.5363992485311367
Energy: 0.6930247322811585
Energy: 0.6145686842999964
Energy: 0.6415171799460222
Energy: 0.6412692619146644
Energy: 0.6613971888275253
Energy: 0.64170738547698
Energy: 0.6894752663872947
Energy: 0.6086699491369044
Energy: 0.5487270633520397
Energy: 0.6092123118890996
Energy: 0.6084992772176219
Energy: 0.5288387014558584
Energy: 1.126403644718195
Energy: 0.5193282175127745
Energy: 0.5169424781879435
Energy: 1.096467011227285
Energy: 0.6000965080932227
Energy: 0.527790827585995
Energy: 0.6435864523193161
Energy: 0.5376271151035086
Energy: 0.5291532836093457
Energy: 0.6442889926127656
Energy: 0.5706290785781366
Energy: 0.5296288932262121
Energy: 0.6463413836763072
Energy: 0.536837818335629
Energy: 0.5508596565005656
Energy: 0.6128649142685374
Energy: 0.5391052706823694
Energy: 0.6128698648828252
Energy: 0.6945073028456685
Energy: 0.550049895822606
Energy: 0.5537272631657408
Energy: 0.640900764455972
Energy: 0.5507330809781217
Energy: 0.6127751271229036
Energy: 0.5951411812885004
Energy: 0.5351959242269215
Energy: 0.5346863131926322
Energy: 0.5952164027318964
Energy: 0.5367999732128269
Energy: 0.5355037133496271

minimum gb energy = 0.5169424781879435 eV
minimum distance =  2.41082709630424 Angstroms
sigma value = 11


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

Energy: 1.8448639393172197
Energy: 1.6350314666994148
Energy: 1.7130407980500197
Energy: 1.5425150061250437
Energy: 2.356468039371716
Energy: 1.4443936347465431
Energy: 1.221342323810181
Energy: 0.9368045800661694
Energy: 0.8750541718956751
Energy: 0.9120903575648996
Energy: 0.9641839008961076
Energy: 0.8388734172152529
Energy: 0.8433818859601042
Energy: 0.800092132584221
Energy: 0.7860742550319316
Energy: 0.832551781075918
Energy: 0.8223915451103997
Energy: 0.7608151006099464
Energy: 0.8328745040060943
Energy: 0.7293858893821931
Energy: 0.7300084643359028
Energy: 0.835472004799119
Energy: 0.7646744140851217
Energy: 0.7555347064985913
Energy: 0.9388693300277628
Energy: 1.0701960791521206
Energy: 0.9739367233475396
Energy: 0.9400241410358655
Energy: 1.1463264913124824
Energy: 0.8539930478274564
Energy: 1.4199380847217298
Energy: 1.191526284320904
Energy: 1.2074249947485438
Energy: 1.3675755213675036
Energy: 1.2490297922744622
Energy: 1.1126947317733629
Energy: 1.0962631333735011
Energy: 0.8631943384024818
Energy: 0.8775837669704655
Energy: 0.9668445742367019
Energy: 0.854668263189953
Energy: 0.9096485676881823
Energy: 0.961902375176231
Energy: 0.9579191107891429
Energy: 0.9706079536215603
Energy: 0.851294284605808
Energy: 0.9691509488128585
Energy: 0.9440260820814587
Energy: 1.0987376547665113
Energy: 0.9089514489379231
Energy: 0.8412059041355863
Energy: 0.8636224879408235
Energy: 0.9453346204335401
Energy: 0.8449537749290593
Energy: 1.522221094511628
Energy: 1.1838642494426848
Energy: 1.0317274159653471
Energy: 1.3802389546178064
Energy: 1.354787788645567
Energy: 1.2836347576464717
Energy: 1.549536174302181
Energy: 1.1742912240950343
Energy: 1.0094987474023758
Energy: 1.152440376058011
Energy: 1.3361802138630983
Energy: 1.0136230745561974
Energy: 1.4628500823426251
Energy: 1.043918835501034
Energy: 0.9939810222824198
Energy: 1.1960963357194063
Energy: 1.1219209233843292
Energy: 1.1037810060711557
Energy: 1.0615362299204483
Energy: 1.052435900052892
Energy: 0.9876651323936436
Energy: 1.0752844232100336
Energy: 1.1207509050587967
Energy: 1.0846333657801928
Energy: 1.1128242019675372
Energy: 0.9061140966983844
Energy: 0.9163175034317231
Energy: 1.114183247800109
Energy: 0.903963323569308
Energy: 0.9753988038385785
Energy: 1.635292216733832
Energy: 1.327848134487634
Energy: 1.2954559240272494
Energy: 1.635299371209851
Energy: 1.3003788498099038
Energy: 1.528370540869685
Energy: 1.5139634557825816
Energy: 1.0881120402826387
Energy: 0.9222365497182292
Energy: 1.0888000957172317
Energy: 1.1445812183236597
Energy: 0.9165281924364698
Energy: 1.3773095296904718
Energy: 1.396990425931191
Energy: 1.1655022313849415
Energy: 1.194151422915044
Energy: 1.4106394218384684
Energy: 1.1970365302872137
Energy: 1.520219270693231
Energy: 1.1007603583139975
Energy: 1.0247757966318183
Energy: 1.122004618161416
Energy: 1.111086003011069
Energy: 0.9478821086475508
Energy: 1.4398789877187252
Energy: 1.0136352381754041
Energy: 1.0232782485636134
Energy: 1.1131379439514206
Energy: 1.0450250248165553
Energy: 0.9407555583353112
Energy: 1.1717522669772769
Energy: 1.174149213650432
Energy: 1.097576087741784
Energy: 1.0168425802982684
Energy: 1.3177525694051129
Energy: 1.1131867004364415
Energy: 1.4423808805259895
Energy: 1.1141977587422567
Energy: 0.9113552966196534
Energy: 1.1060509783128056
Energy: 1.1591680739717767
Energy: 0.9471245794224987
Energy: 1.395932814143563
Energy: 1.434799708036047
Energy: 1.4777135969749928
Energy: 1.3681511532187933
Energy: 1.4358009097903228
Energy: 1.5551109714782452
Energy: 1.1056221303877103
Energy: 0.9086232712553849
Energy: 0.9363161088053626
Energy: 1.1072117104495676
Energy: 0.9181083901571545
Energy: 0.9941084731981709
Energy: 0.933163450736082
Energy: 0.932073342122296
Energy: 0.8889180550638478
Energy: 0.9250303822018454
Energy: 0.9602000884728954
Energy: 0.9008314226049018
Energy: 1.1317817828189851
Energy: 0.9022498939837125
Energy: 0.8998516221173719
Energy: 1.0171396806924353
Energy: 0.98126146690129
Energy: 0.8574593761912138
Energy: 1.554843877076877
Energy: 0.9318522877907457
Energy: 0.898300618387904
Energy: 1.1648157316620922
Energy: 1.1065820523449703
Energy: 1.0147871649086642

minimum gb energy = 0.7293858893821931 eV
minimum distance =  2.30012530357892 Angstroms
sigma value = 41


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

Energy: 1.7256499717185327
Energy: 1.8223114336281474
Energy: 1.9029550291861903
Energy: 1.3206588813603621
Energy: 2.0033790905881004
Energy: 1.3276223488361436
Energy: 1.6125891794195133
Energy: 1.0256574077570857
Energy: 0.8847109946640423
Energy: 1.0545862316611343
Energy: 1.0237003561655729
Energy: 0.8963729211253154
Energy: 0.8942658492752957
Energy: 0.8217681325216957
Energy: 0.8544450156191595
Energy: 0.8727843363251042
Energy: 0.8445365441780349
Energy: 0.8129718951543735
Energy: 0.8631456666745773
Energy: 0.7731154333330805
Energy: 0.7741211128621451
Energy: 0.8574440255523925
Energy: 0.7609894543996136
Energy: 0.7850003355501025
Energy: 1.0177411690946774
Energy: 1.266318302637376
Energy: 1.2238439925335876
Energy: 1.0180479216453957
Energy: 1.2918919925439993
Energy: 0.8835553635430675
Energy: 1.4660753520465926
Energy: 1.3062442598802493
Energy: 1.3451571927163843
Energy: 1.3712389907403646
Energy: 1.3033044927095916
Energy: 1.3859793449634612
Energy: 1.2570620010016438
Energy: 0.9478336795382322
Energy: 0.9006160302969329
Energy: 1.0628296470121952
Energy: 0.9413579913251862
Energy: 0.9072090616053535
Energy: 1.07346804876139
Energy: 1.1459161055167169
Energy: 1.1172815328513497
Energy: 0.8467887539542354
Energy: 1.1119723958464807
Energy: 0.8356740072553309
Energy: 1.2629651179658694
Energy: 1.0085692175897925
Energy: 0.9177136168170804
Energy: 0.9348009766561858
Energy: 0.9751901531108315
Energy: 0.9239594294561615
Energy: 1.2445966802086041
Energy: 1.12461336760764
Energy: 1.1478198892525426
Energy: 1.169267172458423
Energy: 1.1719110957784014
Energy: 1.352806293289752
Energy: 1.2675637170353684
Energy: 1.19285263076115
Energy: 1.148714646111936
Energy: 0.8664971647626125
Energy: 1.184817343892851
Energy: 1.189415977704625
Energy: 1.6370041452604671
Energy: 1.036656754364607
Energy: 1.1307129201868165
Energy: 1.4078028073444233
Energy: 1.251065134147001
Energy: 1.1000091436524093
Energy: 1.2884137722339315
Energy: 1.1859050687293984
Energy: 1.1310208841617209
Energy: 1.2610167447091496
Energy: 1.2556113545249783
Energy: 1.166419049287038
Energy: 1.0511235708581308
Energy: 0.9267556158268105
Energy: 0.9034696437734163
Energy: 1.045392554823252
Energy: 0.9121391169748377
Energy: 0.9978727393661323
Energy: 1.1220009352642295
Energy: 1.0898237460981526
Energy: 1.1007931491698677
Energy: 1.117175159588633
Energy: 1.0841669807841263
Energy: 1.0864062522542373
Energy: 1.2629040968924703
Energy: 1.0265542690084133
Energy: 0.9161075035521746
Energy: 0.9638673360976007
Energy: 1.0620466391816394
Energy: 0.9101943938202727
Energy: 1.7301848353707394
Energy: 1.1594366234312736
Energy: 1.5555266354771144
Energy: 1.3419523918997307
Energy: 1.1722714544873736
Energy: 1.3252407507511081
Energy: 1.7697861903652323
Energy: 0.9903683948730748
Energy: 0.8848401893451987
Energy: 1.1224124040153256
Energy: 0.9983231798319572
Energy: 1.1866198059699526
Energy: 0.8626021571593716
Energy: 0.7921663387895442
Energy: 0.7895837075083779
Energy: 0.8558034413561469
Energy: 0.8534776725274174
Energy: 0.7795537749961611
Energy: 0.9847061898026738
Energy: 0.7912677858232757
Energy: 0.79642647435828
Energy: 0.8726870198535026
Energy: 0.834343501539764
Energy: 0.7925659252401551
Energy: 1.017909055467599
Energy: 0.9091916670437608
Energy: 0.88767390159948
Energy: 1.0178703419946749
Energy: 0.8982821464461441
Energy: 0.8878503317929269
Energy: 1.5313493744166295
Energy: 1.5798647834655701
Energy: 1.623014395516317
Energy: 1.5245313179829023
Energy: 1.5862231728850735
Energy: 1.6230050919382533
Energy: 1.2525503048572482
Energy: 0.9205451064063587
Energy: 0.8891204821861458
Energy: 1.0285867157727782
Energy: 0.9536118840598613
Energy: 0.8909932295979237
Energy: 1.0739448283043946
Energy: 1.117295655479341
Energy: 1.0952072482636959
Energy: 0.8091739551533104
Energy: 1.1051029806372226
Energy: 0.7993135873862897
Energy: 1.260697245491789
Energy: 0.9690637120270189
Energy: 0.9194462156514798
Energy: 0.9569448736401686
Energy: 0.9846947655523781
Energy: 0.9204989723281117
Energy: 1.2683781303329504
Energy: 1.164013950427974
Energy: 1.1164311693198021
Energy: 0.8653263442740258
Energy: 1.1639819091639803
Energy: 1.037437749816135
Energy: 1.234704691419879
Energy: 1.1918376826730492
Energy: 1.3526014967820283
Energy: 0.8529705975603213
Energy: 1.3370286084522394
Energy: 1.3613815917243843
Energy: 1.6451358915189604
Energy: 1.138668647893138
Energy: 1.0400133642588674
Energy: 1.1651674604072932
Energy: 1.2350404408885634
Energy: 1.1132228493666931
Energy: 1.4059944636536665
Energy: 1.3271950434134814
Energy: 1.3266664618111583
Energy: 1.4058468811624858
Energy: 1.3004079195352782
Energy: 1.3270419913708125
Energy: 1.2201999171706563
Energy: 1.027503007843047
Energy: 1.0382494603915775
Energy: 1.2213868421248752
Energy: 0.907459062435249
Energy: 1.0654065190576683
Energy: 1.0200480329081067
Energy: 0.9996909327530995
Energy: 1.092770663754782
Energy: 1.01527778222203
Energy: 1.057478427304336
Energy: 1.09483249579306
Energy: 1.1861112686843966
Energy: 1.0324222951630673
Energy: 0.8910647367184917
Energy: 0.9639796637805245
Energy: 1.0542386617043311
Energy: 0.9480944138054983
Energy: 1.5906055825567686
Energy: 0.9846054739635878
Energy: 1.3040013122649055
Energy: 0.8512756205489316
Energy: 1.007451420804806
Energy: 1.3381024113916884

minimum gb energy = 0.7609894543996136 eV
minimum distance =  2.31231406645518 Angstroms
sigma value = 33


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

Energy: 1.1864131557426083
Energy: 1.4525468397381445
Energy: 1.5778791449976803
Energy: 1.1880875886388438
Energy: 2.0494082326922594
Energy: 1.5712555723342303
Energy: 1.317919864539057
Energy: 1.0287592020143297
Energy: 1.056764765245927
Energy: 0.9951212908273123
Energy: 1.052838739857486
Energy: 0.9936916813573042
Energy: 0.9402778977691137
Energy: 0.8834501084292266
Energy: 0.883758421456024
Energy: 0.9234249118765182
Energy: 0.8789899711961022
Energy: 0.8352826353776909
Energy: 0.9053249597034033
Energy: 0.8062787134839394
Energy: 0.8066329569360416
Energy: 0.9198552235348595
Energy: 0.8405033052109672
Energy: 0.8285776163046102
Energy: 1.0979061319388301
Energy: 1.06989222401684
Energy: 0.9990275205684778
Energy: 1.097026846443143
Energy: 1.1357373201109724
Energy: 1.0480461355915525
Energy: 1.325471818984114
Energy: 1.2114458875512264
Energy: 1.2126561173200452
Energy: 1.0964186162616998
Energy: 1.3457547059185686
Energy: 1.2232275691687677
Energy: 1.3676250637645535
Energy: 1.035790238390233
Energy: 1.055424333748396
Energy: 1.0994588369887937
Energy: 1.0324750880967117
Energy: 0.9755968006224411
Energy: 1.1862723043053551
Energy: 1.360151625057645
Energy: 0.8658212757728918
Energy: 1.1114001265729718
Energy: 1.3514940933167623
Energy: 0.8082013703306353
Energy: 0.9087815879571841
Energy: 1.0144494400829804
Energy: 1.0150675050347666
Energy: 0.7618426406808069
Energy: 1.0507448269064787
Energy: 1.0161682411041824
Energy: 1.427981375418663
Energy: 1.2732414667116598
Energy: 1.1341449353198896
Energy: 1.1333285719067583
Energy: 1.256053033293051
Energy: 1.1922879844929788
Energy: 1.4266856490440183
Energy: 1.086265548613892
Energy: 1.050606106814847
Energy: 1.1283186324243866
Energy: 1.0444721159617978
Energy: 0.9904851267623919
Energy: 1.3249912192801043
Energy: 1.1779353820610063
Energy: 1.246217708544249
Energy: 1.096229693059416
Energy: 1.3220858204194257
Energy: 1.327853320413672
Energy: 1.0947226605759737
Energy: 1.387284042995776
Energy: 1.4728919472602193
Energy: 1.075502150551751
Energy: 1.3253215410895909
Energy: 1.406880946994809
Energy: 0.8897762584646561
Energy: 0.8238880985268426
Energy: 0.8449764867378008
Energy: 0.8909228998118319
Energy: 0.8397996708406262
Energy: 0.8268806147578023
Energy: 0.9553578108748351
Energy: 0.8946472143536708
Energy: 0.8625823047696496
Energy: 0.8836344205271837
Energy: 1.0154115645950617
Energy: 0.9102961376990466
Energy: 0.8893646347284296
Energy: 0.8696729995001174
Energy: 0.9774229197567356
Energy: 0.806409817920573
Energy: 1.0436326821116746
Energy: 0.7959751774761565
Energy: 1.6536660598685518
Energy: 1.2931212151582787
Energy: 1.2522843494300957
Energy: 1.391710201525556
Energy: 1.3631859026691835
Energy: 1.2183874764250793
Energy: 1.4397889386633969
Energy: 1.0946416389546
Energy: 1.0748174971847468
Energy: 1.1223977390991662
Energy: 1.0972302409640173
Energy: 0.9954951843840965
Energy: 1.3030875760294482
Energy: 0.7961404927024042
Energy: 0.8012028398601859
Energy: 1.0707151410112912
Energy: 0.7954778192527461
Energy: 1.0403037124277879
Energy: 1.1030292665257035
Energy: 0.8240327241718897
Energy: 0.8486326419936322
Energy: 1.1040317294507278
Energy: 0.7953962637699226
Energy: 1.0903982347200147
Energy: 1.0733264189658793
Energy: 0.9721449818263125
Energy: 0.969979494205816
Energy: 1.0654321156377966
Energy: 1.015362595972282
Energy: 0.9764743993979872
Energy: 1.2686834798537612
Energy: 1.260453806121715
Energy: 1.2549554754417143
Energy: 1.2618688206049855
Energy: 1.2681112935324292
Energy: 1.2481344170547584
Energy: 1.3757715001993247
Energy: 0.9971465389783334
Energy: 0.9925815534574672
Energy: 1.02394191196778
Energy: 1.051689903056265
Energy: 0.9949218633594243
Energy: 1.2168864998563746
Energy: 1.1778440208294938
Energy: 1.5655282943863176
Energy: 1.5853088497344665
Energy: 1.2493438838951738
Energy: 1.5706969675281173
Energy: 1.9335648863834516
Energy: 1.0454471141735573
Energy: 1.0510739189469605
Energy: 1.2578488615225867
Energy: 1.0533213841888376
Energy: 0.9935273560086467
Energy: 0.9389576170399111
Energy: 0.8790299986405608
Energy: 0.8743015297858143
Energy: 0.9312034437018402
Energy: 0.9334098066680578
Energy: 0.8527514716722884
Energy: 0.9486494662245367
Energy: 0.8128227916412243
Energy: 0.8321007301280545
Energy: 0.9328653745472621
Energy: 0.8645790256378347
Energy: 0.8312187686431551
Energy: 1.0952403981432783
Energy: 0.997453805454372
Energy: 0.9940595756909487
Energy: 1.0963438798443335
Energy: 1.0805938607421022
Energy: 0.9865955609206176
Energy: 1.5170213947849311
Energy: 1.2371273576789978
Energy: 1.2209449254968543
Energy: 1.362359605490988
Energy: 1.3909970024929985
Energy: 1.2177155563919695
Energy: 1.373107684993192
Energy: 1.0358553760211844
Energy: 0.9844685219462586
Energy: 1.078917770266148
Energy: 1.0519796639942358
Energy: 0.9845715987626334
Energy: 1.1860686763301198
Energy: 1.3190472124678239
Energy: 0.8913501826127967
Energy: 1.1107877765546132
Energy: 1.2792184693696695
Energy: 0.9205996689005237
Energy: 1.3677418085307473
Energy: 1.0671453264568336
Energy: 1.0265904845021976
Energy: 1.0263346601312016
Energy: 1.0490280191696342
Energy: 1.0165106966001847
Energy: 1.430187697564727
Energy: 1.1313186687818229
Energy: 1.1233264060690993
Energy: 1.1662397228989108
Energy: 1.1022348830776303
Energy: 1.1044880905307384
Energy: 1.4288359666774775
Energy: 1.0751260426786926
Energy: 1.0968998466419992
Energy: 1.1205091969787635
Energy: 1.0709663085326635
Energy: 1.149269916219821
Energy: 1.323214250613557
Energy: 1.1735719022331639
Energy: 1.180377803113205
Energy: 1.097428699304896
Energy: 1.2756352894213743
Energy: 1.0340166330835845
Energy: 1.071088424084018
Energy: 1.4683549346877625
Energy: 1.6206357127135782
Energy: 1.2351750685314506
Energy: 1.466199316920284
Energy: 1.6120703924927198
Energy: 0.8881227127067186
Energy: 1.006692253129327
Energy: 1.0050950683652207
Energy: 0.9016554063314829
Energy: 0.7949822828248019
Energy: 0.8363968800887784
Energy: 0.9561739876044756
Energy: 0.8634714692080429
Energy: 0.8722178342579932
Energy: 0.9572511526402826
Energy: 1.0125827380681882
Energy: 0.9109706399005905
Energy: 0.8885648487424789
Energy: 0.8896067337174796
Energy: 0.7982169220135438
Energy: 0.7794688793031784
Energy: 0.8740381438940023
Energy: 0.8165528837583279
Energy: 1.473791737310233
Energy: 1.0976908468197097
Energy: 1.0832019541326139
Energy: 1.100031961051235
Energy: 1.0964030203291621
Energy: 1.2384986096887742
Energy: 1.4702758489986036
Energy: 1.094356931835286
Energy: 1.0482751050559511
Energy: 1.1333320452218094
Energy: 1.0970609586021232
Energy: 1.037992242969319
Energy: 1.3020327403349015
Energy: 0.7926173516597221
Energy: 0.7994218014234907
Energy: 1.0682723227330002
Energy: 0.9964623589889136
Energy: 1.0381160484324128
Energy: 1.1071553087638444
Energy: 0.7958476349072826
Energy: 0.8509874324679599
Energy: 1.108030182648162
Energy: 1.107896391201477
Energy: 0.8773200183788091
Energy: 1.2277035180046942
Energy: 0.9885843243402951
Energy: 0.9862215690911434
Energy: 1.2429884242428757
Energy: 0.987426852279455
Energy: 0.9855369727218737
Energy: 1.2779576093415173
Energy: 1.2602714667270187
Energy: 1.2455365536472809
Energy: 1.262189588237612
Energy: 1.268345523341523
Energy: 1.254769044262837
Energy: 1.3728933392812182
Energy: 0.9907927688912983
Energy: 0.9957667461983026
Energy: 1.0522389286524414
Energy: 1.1054468590667101
Energy: 0.9942896674333074
Energy: 1.9445684284686529
Energy: 1.1812907788508114
Energy: 1.6322541952190348
Energy: 1.3712743775719611
Energy: 1.2738353262214148
Energy: 1.545835406606589

minimum gb energy = 0.7618426406808069 eV
minimum distance =  2.33729668403 Angstroms
sigma value = 67


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

Energy: 1.4373949879329344
Energy: 1.4127616166263965
Energy: 0.991175255654528
Energy: 0.9524627033429084
Energy: 0.9290401842889007
Energy: 0.9914860415364849
Energy: 0.9221801840030726
Energy: 1.1617378164230125
Energy: 1.1272476715657198
Energy: 0.8321684952108859
Energy: 1.1617658614896622
Energy: 0.8251389222742895
Energy: 1.1806956549441163
Energy: 0.9173937155979152
Energy: 0.9301721674192313
Energy: 0.9298146610977912
Energy: 0.9157007842241506
Energy: 0.9268647721212799
Energy: 0.9415556945500634
Energy: 0.8470420916640776
Energy: 0.8469820017817223
Energy: 0.9416908006805821
Energy: 0.8534015299098594
Energy: 0.8466998854138151
Energy: 0.9200864066974469
Energy: 0.8266502738826073
Energy: 0.8373730950478081
Energy: 0.902440158584089
Energy: 0.82653996146861
Energy: 0.8373829175067392
Energy: 0.9375761317977579
Energy: 1.0558243276680115
Energy: 0.8945059816727903
Energy: 0.9335495986213536
Energy: 1.1832282586208078
Energy: 0.8992600830918118
Energy: 0.9887931270465773
Energy: 1.130205842517714
Energy: 1.1301234696720834
Energy: 0.9326862030473513
Energy: 1.129611989725346
Energy: 1.130332241251477

minimum gb energy = 0.8251389222742895 eV
minimum distance =  2.28655358183655 Angstroms
sigma value = 3


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

Energy: 1.8333171801727097
Energy: 1.8011249887195913
Energy: 1.5373589948277053
Energy: 1.381661249514085
Energy: 1.9104594988562869
Energy: 1.5148404171866385
Energy: 1.4046755729900222
Energy: 1.280876143502643
Energy: 1.0950267736151575
Energy: 1.0806349817762009
Energy: 1.2557203849144192
Energy: 1.08246657938718
Energy: 1.168253498738745
Energy: 1.2126833398838581
Energy: 1.1592337877178982
Energy: 1.1262170363617476
Energy: 1.0124732524441777
Energy: 1.1871393285143297
Energy: 1.1045149056714632
Energy: 1.106707399615777
Energy: 1.0967596104650963
Energy: 1.0718367152559938
Energy: 1.041651265467996
Energy: 1.1132760482096775
Energy: 0.9912009810731014
Energy: 0.9642092662761458
Energy: 0.9666575768611669
Energy: 0.9914013324207734
Energy: 0.939481933211063
Energy: 0.9717666892251652
Energy: 1.121102733821722
Energy: 1.1062376854789435
Energy: 1.0780286714403529
Energy: 1.0519606532243009
Energy: 1.1533495407600576
Energy: 1.0317659315421805
Energy: 0.9652804622498856
Energy: 1.1545657417672677
Energy: 1.1819985077049489
Energy: 0.9101344756406696
Energy: 1.1880074403524932
Energy: 0.9009535641146493
Energy: 1.7104671504635367
Energy: 1.568284098234814
Energy: 1.3678446262595434
Energy: 1.3171444608956393
Energy: 1.6216267622734617
Energy: 1.4398438161053482
Energy: 1.5273807822242715
Energy: 1.2356019075116926
Energy: 1.1966971511247748
Energy: 1.2912162059555317
Energy: 1.2903551831207924
Energy: 1.155417523407966
Energy: 1.5106189440803612
Energy: 1.3477650672159323
Energy: 1.3379549387356047
Energy: 1.5124694264986809
Energy: 1.348036658322646
Energy: 1.2876408103063284
Energy: 1.279775580584859
Energy: 1.3021552533842247
Energy: 1.2629665411135023
Energy: 1.2378218666238836
Energy: 1.2634377371607064
Energy: 1.3001752005641247
Energy: 1.029212153076844
Energy: 0.9400819626143725
Energy: 0.93805066736984
Energy: 1.066775969495798
Energy: 0.9588099896287595
Energy: 0.9569677067891706
Energy: 0.9504156090673813
Energy: 0.9510879714883721
Energy: 0.9573473815682723
Energy: 0.9240898230744671
Energy: 1.0348013394832696
Energy: 0.9627935076681227
Energy: 1.211266648653395
Energy: 1.1312863293538875
Energy: 1.1197392027262663
Energy: 1.0494224213525323
Energy: 1.0397344673668039
Energy: 1.1222006655998615
Energy: 1.3375159896336235
Energy: 1.1658745452076906
Energy: 1.156315450276753
Energy: 1.0994869118522819
Energy: 1.123886676030644
Energy: 1.1400508776734932
Energy: 1.3983929444924081
Energy: 0.975861751463743
Energy: 0.9696320516263562
Energy: 1.3596568638531044
Energy: 0.9817795852958896
Energy: 1.2311247407705677
Energy: 1.2303311938783603
Energy: 1.4277852676051779
Energy: 1.4770536370166176
Energy: 1.2357064732291825
Energy: 1.4121238205932731
Energy: 1.4350048534447908
Energy: 1.4191477495858595
Energy: 1.2111537420582636
Energy: 1.3168466154593141
Energy: 1.4500179769726256
Energy: 1.2417417373505055
Energy: 1.1832387710883248
Energy: 1.4859788922889434
Energy: 1.2094768285262878
Energy: 1.2237289729762704
Energy: 1.461974595119762
Energy: 1.2534695443039992
Energy: 1.1913231943997162
Energy: 1.408221759431778
Energy: 1.1952683618484259
Energy: 1.194329662173667
Energy: 1.1538969476304706
Energy: 1.2222925797828437
Energy: 1.1309418074109536
Energy: 0.9534354158435376
Energy: 0.9275984208118696
Energy: 0.8795711233867538
Energy: 0.8958009153933442
Energy: 0.9681530452684547
Energy: 0.8813026686711617
Energy: 0.9468028313669765
Energy: 1.0265227471631189
Energy: 1.0041245514310775
Energy: 0.9795878754366504
Energy: 1.0510496163861967
Energy: 0.9388519680577773
Energy: 0.9685121458491749
Energy: 0.9586117728545108
Energy: 0.9691919632742355
Energy: 0.9686039253812294
Energy: 0.9690513413426732
Energy: 0.8781063038784097
Energy: 1.2811948678880076
Energy: 1.273300185256103
Energy: 1.2724757450947355
Energy: 1.281933654892491
Energy: 1.2723741085166036
Energy: 1.2232200946902878
Energy: 1.3318199957353356
Energy: 1.287825545834302
Energy: 1.2643821165266766
Energy: 1.1860807993616167
Energy: 1.3663725843839112
Energy: 1.2007597700496047
Energy: 1.6585516149950865
Energy: 1.290844933857187
Energy: 1.3399981033480428
Energy: 1.4566463238675877
Energy: 1.4181257398595613
Energy: 1.3867755785105986
Energy: 1.6768016620097197
Energy: 1.290677508089563
Energy: 1.312693102759541
Energy: 1.4777482622216747
Energy: 1.2495253988740673
Energy: 1.3008083038560854
Energy: 1.1199193478523755
Energy: 1.1362726645039543
Energy: 1.0862807626236257
Energy: 1.0836403137640414
Energy: 1.2354269283780965
Energy: 1.0057452146397847
Energy: 1.0941126337666711
Energy: 1.1903495080809063
Energy: 1.1744838982852885
Energy: 1.1138831104921307
Energy: 1.1515539838276658
Energy: 1.0862208797725852
Energy: 1.0233286832041946
Energy: 1.04941149837118
Energy: 1.0734066670523437
Energy: 1.0339176925835882
Energy: 1.0573004400751085
Energy: 0.9661269875565746
Energy: 0.9913286273548605
Energy: 1.19992923422193
Energy: 1.198312519522929
Energy: 1.036433485626247
Energy: 1.1203790348330618
Energy: 1.1041007546364405
Energy: 0.9704631250392559
Energy: 0.9725836230497166
Energy: 0.9305959424291897
Energy: 0.9533402052443583
Energy: 1.011290140164885
Energy: 0.905791624472454
Energy: 1.546046403455602
Energy: 1.3085485190192343
Energy: 1.3077489179302344
Energy: 1.206742767581075
Energy: 1.2586867638412744
Energy: 1.219645887163144
Energy: 1.5752111336597256
Energy: 1.291590696456084
Energy: 1.1957101328308337
Energy: 1.458972140262861
Energy: 1.2498036654356057
Energy: 1.237630253416179
Energy: 1.4889690670383064
Energy: 1.2720429385345087
Energy: 1.2453667307548288
Energy: 1.3150722606555638
Energy: 1.3424690376635224
Energy: 1.165782207893137
Energy: 1.2800422862558367
Energy: 1.2025837691016383
Energy: 1.229193678419573
Energy: 1.2808348761065607
Energy: 1.3478767222610242
Energy: 1.3197049366615918
Energy: 1.102996756286545
Energy: 0.8992988527920521
Energy: 0.8987512566859094
Energy: 1.0637802752920666
Energy: 0.8693727025394677
Energy: 0.9214323070741737
Energy: 1.3958544138460511
Energy: 0.9906544543559571
Energy: 1.0599361811205683
Energy: 1.1691651863798183
Energy: 1.0232120166218572
Energy: 1.1146361847794142
Energy: 1.084705413805278
Energy: 1.0107124707709954
Energy: 0.9569807246183658
Energy: 0.9767140404279611
Energy: 0.9864276874526964
Energy: 0.9668932983582417
Energy: 1.1284323659811928
Energy: 1.0560451743554944
Energy: 1.056300200829398
Energy: 1.023585838606583
Energy: 1.0799922686580088
Energy: 1.0568597711017378
Energy: 1.2980011604592676
Energy: 1.0332586204874392
Energy: 1.0386323230643464
Energy: 1.3149114069606898
Energy: 1.0489666083482558
Energy: 1.0376005595408857
Energy: 1.391807448647575
Energy: 1.3399794517509727
Energy: 1.2695969261588478
Energy: 1.293988029085271
Energy: 1.4728131113682106
Energy: 1.3121390191101507
Energy: 1.3050286761924297
Energy: 1.4362312181594774
Energy: 1.332504457850233
Energy: 1.2992496822691384
Energy: 1.4113280986205443
Energy: 1.3565216972199852
Energy: 1.474150521453657
Energy: 1.1779415891599627
Energy: 1.157749422012602
Energy: 1.3201663823212184
Energy: 1.1530919483387856
Energy: 1.1266835928859809
Energy: 1.5979146721756914
Energy: 1.2581335744641118
Energy: 1.20638880020925
Energy: 1.2447902977269243
Energy: 1.252507661740914
Energy: 1.2037669563340079
Energy: 1.0740266732313761
Energy: 0.9966257415961636
Energy: 1.0928142502860227
Energy: 0.9532072866052219
Energy: 1.0232053033322033
Energy: 0.9322634992287295
Energy: 0.9444615311234906
Energy: 0.9711241566057768
Energy: 0.9760641026592636
Energy: 1.081563228719267
Energy: 0.9743755915791094
Energy: 0.9231967173810137
Energy: 0.9515349616593511
Energy: 0.9004457182189829
Energy: 0.9052748182876024
Energy: 0.9524812061439939
Energy: 0.8985104717387733
Energy: 0.9054454071318043
Energy: 1.2091662106068723
Energy: 1.0421290881765106
Energy: 1.192722762341351
Energy: 1.19868274856237
Energy: 1.2287275082845264
Energy: 1.220112525152207
Energy: 1.3149338780548683
Energy: 1.262496410465704
Energy: 1.2310596121072253
Energy: 1.3378574933175489
Energy: 1.2900851740744241
Energy: 1.2534656325097076
Energy: 1.2370407992827785
Energy: 1.343119249412433
Energy: 1.3029235148477605
Energy: 1.1021120761364378
Energy: 1.3752897930379022
Energy: 1.2523780008030183

minimum gb energy = 0.8693727025394677 eV
minimum distance =  2.2807397622673 Angstroms
sigma value = 81


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

Energy: 2.018430668230588
Energy: 1.3152414825599992
Energy: 1.2050816708896765
Energy: 1.4891132871932091
Energy: 1.445586241819537
Energy: 1.3774680355021895
Energy: 1.2522766248838129
Energy: 1.1101580182310733
Energy: 1.0764208595402132
Energy: 0.9907030479118576
Energy: 1.123237172082674
Energy: 1.0625874015130097
Energy: 1.3912295610185834
Energy: 0.9993683327157408
Energy: 1.0181917163992695
Energy: 1.054100643027673
Energy: 1.0167332503360533
Energy: 1.1537120425978158
Energy: 1.0855132571198238
Energy: 0.9406031875991899
Energy: 1.1493426986454789
Energy: 1.0862599227539016
Energy: 1.0492227008924484
Energy: 1.0855979360321077
Energy: 1.2380819625301773
Energy: 1.0712390581820999
Energy: 1.0924918837558453
Energy: 1.2365532671463855
Energy: 1.2019325781163765
Energy: 1.087940497816608
Energy: 1.2410952311858097
Energy: 1.0825406892287657
Energy: 1.0710064661720455
Energy: 1.2809269858764192
Energy: 1.1560544168134967
Energy: 1.074096549981292
Energy: 1.2455362441569025
Energy: 1.3572674743331417
Energy: 1.0891478039635987
Energy: 1.127360678248981
Energy: 1.3534991825931397
Energy: 1.1727639535316217
Energy: 1.7199056844264076
Energy: 1.339148983929147
Energy: 1.3368738805466382
Energy: 1.2865560915112604
Energy: 1.334111675084975
Energy: 1.3134572607154338
Energy: 1.3495157774487057
Energy: 1.3910748125942973
Energy: 1.1896744735478935
Energy: 1.23158366084143
Energy: 1.3748722491688445
Energy: 1.1504340069636467
Energy: 1.435878642687082
Energy: 1.1102554681102583
Energy: 1.1968704663366618
Energy: 1.4393676285953094
Energy: 0.947879317771463
Energy: 1.253709528929442
Energy: 1.326540689426663
Energy: 1.0493519413779597
Energy: 0.9482948434382104
Energy: 1.2497503554931824
Energy: 0.9350460152541703
Energy: 1.2451403664087957
Energy: 1.0425945451403906
Energy: 1.1387397899602862
Energy: 1.1311851524011511
Energy: 1.0433653462863453
Energy: 1.128726962898951
Energy: 1.1179456863469686
Energy: 1.0421028214289867
Energy: 1.1247486340340953
Energy: 1.1315569382725044
Energy: 1.0190505136302093
Energy: 1.1398879788891065
Energy: 1.0201146897629687
Energy: 1.1256748954926203
Energy: 1.2314149685306996
Energy: 1.1902226567293923
Energy: 1.0310223215981058
Energy: 1.2297412480667331
Energy: 1.16496590599854
Energy: 1.494259770257462
Energy: 1.182435888053262
Energy: 1.3698386906633737
Energy: 1.128849174118915
Energy: 1.3805675138794042
Energy: 1.3749885216658162
Energy: 1.3348594638106528
Energy: 1.1485016811497197
Energy: 1.1482702979112382
Energy: 1.3257271410143587
Energy: 1.1492050800948201
Energy: 1.1303544383405113
Energy: 1.2712611897015562
Energy: 1.3056297854121148
Energy: 1.3093258694698213
Energy: 1.2399366050966174
Energy: 1.3098082889532874
Energy: 1.2728404582187876
Energy: 1.3241289698465042
Energy: 1.3018760660353594
Energy: 1.207538770554122
Energy: 1.3581046133377004
Energy: 1.1080696226644542
Energy: 1.1391771713408592
Energy: 1.7189181506660856
Energy: 1.1701598757109728
Energy: 1.17815057827279
Energy: 1.1616897146584488
Energy: 1.2877691623162262
Energy: 1.169907821366375
Energy: 1.763201808641196
Energy: 1.2509332005315077
Energy: 1.180282742707561
Energy: 1.372328863430073
Energy: 1.3941227293477418
Energy: 1.1663210421891186
Energy: 1.217912228662276
Energy: 1.1603421185835023
Energy: 1.118697144682912
Energy: 1.1091408138373737
Energy: 1.1331434838004342
Energy: 1.0611448909147827
Energy: 1.126148651634915
Energy: 1.0543341850021413
Energy: 1.086278730246385
Energy: 1.1285136202349044
Energy: 1.0102429993092308
Energy: 1.0233688793542166
Energy: 1.0862703167531356
Energy: 1.0314018147565787
Energy: 1.0611289442436944
Energy: 1.0812014624111779
Energy: 1.0375095837522978
Energy: 1.0610145453904687
Energy: 1.2764392731498777
Energy: 1.3420119384984053
Energy: 1.3610675267731271
Energy: 1.2714927945420562
Energy: 1.3778882909304815
Energy: 1.1279197035764268
Energy: 1.3244848326972418
Energy: 1.1194862265922554
Energy: 1.094662156842965
Energy: 1.0771485707565438
Energy: 1.3666343547024216
Energy: 1.0685816393221679
Energy: 1.4528437890161015
Energy: 1.2672825193397297
Energy: 1.2777459192671137
Energy: 1.455619593648349
Energy: 1.26212839516103
Energy: 1.142527995823382
Energy: 1.424222415741871
Energy: 1.2781673659448691
Energy: 1.2738679614783326
Energy: 1.4289835450632598
Energy: 1.2761991980338205
Energy: 1.1551630830293573
Energy: 1.4552929134512569
Energy: 1.0856962189409667
Energy: 1.1182128368921556
Energy: 1.1484825417655982
Energy: 1.2671915963095413
Energy: 1.1441753140188666
Energy: 1.3597337426116596
Energy: 0.9482539150614316
Energy: 0.9742210542459994
Energy: 1.362571076242382
Energy: 0.9477516034125286
Energy: 1.1390192779067294
Energy: 1.2035700582651185
Energy: 1.1171730390987549
Energy: 1.062600685373934
Energy: 1.0723455048034316
Energy: 1.110772029842876
Energy: 1.0705653845697665
Energy: 1.3890059421862835
Energy: 1.232808433784079
Energy: 1.2280732625949276
Energy: 1.0267189721516774
Energy: 1.3722118966720251
Energy: 1.0603837963271558
Energy: 1.1618528197264513
Energy: 1.1448419913213308
Energy: 1.0824551892415322
Energy: 1.041489398779712
Energy: 1.117108907645587
Energy: 1.1076286559170212
Energy: 1.527602093946496
Energy: 1.1064733258667876
Energy: 1.0694312486320907
Energy: 1.1428818020674223
Energy: 1.2476126858387804
Energy: 1.0819474596272691
Energy: 1.4786535524871496
Energy: 1.0696124731536292
Energy: 1.0758734940123746
Energy: 1.4512122793485849
Energy: 1.145035381303776
Energy: 1.0656887260671215
Energy: 1.2308692328841055
Energy: 1.1466608236181095
Energy: 1.2100483387463665
Energy: 1.2388039292095514
Energy: 1.3805603802965507
Energy: 1.288903529242877
Energy: 1.3016984406439691
Energy: 1.3039888335700178
Energy: 1.1551508487960598
Energy: 1.1687047755353919
Energy: 1.3044301091906954
Energy: 1.299597162636548
Energy: 1.596964916691758
Energy: 1.1509214880841923
Energy: 1.12752123573166
Energy: 1.3506596513317541
Energy: 1.1277036769324746
Energy: 1.1371001557682479
Energy: 1.8937046928644956
Energy: 1.3580411597198931
Energy: 1.2515496757207298
Energy: 1.2001068014206318
Energy: 1.2615219809451794
Energy: 1.407854025445178

minimum gb energy = 0.9350460152541703 eV
minimum distance =  2.29004117554316 Angstroms
sigma value = 43


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

Energy: 1.9592386690860637
Energy: 1.7418791332728267
Energy: 1.5654409259855948
Energy: 1.3422145140599362
Energy: 1.8174341527239573
Energy: 1.4367695101202342
Energy: 1.352535428562127
Energy: 1.125463889140229
Energy: 1.2656686547298823
Energy: 1.051186883263986
Energy: 1.2423574707687306
Energy: 1.0847619897450662
Energy: 1.2497344393079803
Energy: 0.9749469607543266
Energy: 0.9975055247370469
Energy: 1.235937097924839
Energy: 0.9933434456169851
Energy: 1.022683810172307
Energy: 1.0795800866779344
Energy: 1.033788601425243
Energy: 1.0588785102518157
Energy: 1.0769979623463886
Energy: 1.1308049690861501
Energy: 1.0590382700205137
Energy: 0.9275877166539361
Energy: 0.8891585714341906
Energy: 0.8872266633967789
Energy: 0.9459189294338148
Energy: 0.8892976720311084
Energy: 0.8862091132738871
Energy: 0.9302273752124139
Energy: 0.9128710307798202
Energy: 0.889504649061893
Energy: 0.9807382143741663
Energy: 0.9664015892875516
Energy: 0.8855094771865234
Energy: 1.037828899940213
Energy: 0.9968620987869623
Energy: 1.0563576337532665
Energy: 0.9139423635690648
Energy: 0.9817209467081583
Energy: 0.9360775722584782
Energy: 1.5952497293875176
Energy: 1.2277221773336942
Energy: 1.2379859127510586
Energy: 1.1764774424059488
Energy: 1.2224971874202408
Energy: 1.322710018559587
Energy: 1.4169473868962363
Energy: 0.9964837911332954
Energy: 1.109362830365264
Energy: 1.3303137117257586
Energy: 0.9961689545635083
Energy: 1.1248992684029946
Energy: 1.5096070382816866
Energy: 1.2050959727976318
Energy: 1.3880327843782652
Energy: 1.5097059031521503
Energy: 1.42816867728779
Energy: 1.4092500716703615
Energy: 1.5023863030392919
Energy: 1.2234152563118743
Energy: 1.2781810099753577
Energy: 1.4306791305567677
Energy: 1.3468492828013225
Energy: 1.1924169480921145
Energy: 1.3657647799660473
Energy: 1.1836288467709064
Energy: 1.1576876336314965
Energy: 1.2875873693265227
Energy: 1.201070953977496
Energy: 1.1789826792496316
Energy: 1.4011230288519627
Energy: 1.1936640793995004
Energy: 1.1470646683337236
Energy: 0.9941171377058254
Energy: 1.1699993963912156
Energy: 1.118770853026568
Energy: 1.021386783582506
Energy: 1.038373639642818
Energy: 0.9641506332463214
Energy: 0.9468519005993391
Energy: 0.9585967512521721
Energy: 0.9117279077777558
Energy: 0.9557024713785585
Energy: 1.0219655645202383
Energy: 1.0359559933797342
Energy: 0.9682585733287054
Energy: 0.9543947342102107
Energy: 0.9850043336564714
Energy: 0.9476546848480712
Energy: 0.951073713058129
Energy: 0.9410671641792716
Energy: 0.9492795191937765
Energy: 0.9592908246847853
Energy: 0.9358800332425475
Energy: 1.017796116300266
Energy: 1.1095631135088935
Energy: 1.0504133552035062
Energy: 1.0333885507664202
Energy: 1.0192092164413422
Energy: 0.9918680600865134
Energy: 1.289341378916886
Energy: 0.9929842688012789
Energy: 0.9354511348440103
Energy: 1.0753664507119884
Energy: 1.2037531019473708
Energy: 0.9606741669963166
Energy: 1.5220247692422473
Energy: 1.2451438593361634
Energy: 1.260527617774191
Energy: 1.1286972619142208
Energy: 1.2248107316713845
Energy: 1.1659899259223514
Energy: 1.547626906731961
Energy: 1.2708571663230914
Energy: 1.2603811081216807
Energy: 1.5325477552023306
Energy: 1.3553062664920346
Energy: 1.226011059688615
Energy: 1.4994242698857865
Energy: 1.2837082078664475
Energy: 1.2434990308050267
Energy: 1.2991793441468316
Energy: 1.2190780890908213
Energy: 1.1869755164848423
Energy: 1.5025454495243402
Energy: 1.3482382977712197
Energy: 1.3101071822705719
Energy: 1.4962466522722244
Energy: 1.3043200078084844
Energy: 1.2581630577470597
Energy: 1.1794616251866263
Energy: 0.9927211386562986
Energy: 1.0202631932520825
Energy: 1.1678324953633608
Energy: 0.9694873760462674
Energy: 1.094701818993697
Energy: 1.1804993950191889
Energy: 1.1594188403255021
Energy: 1.1440420500144017
Energy: 0.9337127039541812
Energy: 1.182680983279563
Energy: 0.9579166681482635
Energy: 1.1844451931322586
Energy: 1.0370341069303657
Energy: 1.003839696199905
Energy: 1.045172135632097
Energy: 1.0387589724717443
Energy: 1.0050901383693716
Energy: 1.054954137439489
Energy: 0.9566376134133316
Energy: 0.9337158179683983
Energy: 0.927279645144089
Energy: 0.9191075137292478
Energy: 0.9352091344297985
Energy: 1.0451208570327435
Energy: 0.9108908120977477
Energy: 0.9087415965875294
Energy: 1.0717287186711395
Energy: 0.9025852692368765
Energy: 0.9097785253481625
Energy: 1.1383690777359574
Energy: 1.0655993774146073
Energy: 1.1425667393182108
Energy: 1.1576114393994787
Energy: 0.878369772279596
Energy: 1.246629472890617
Energy: 1.4401737997803412
Energy: 1.2986556193071417
Energy: 1.3284304919257188
Energy: 1.432210660964083
Energy: 1.2146892388070756
Energy: 1.2274746267930117
Energy: 1.5426795745835868
Energy: 1.1787831030082807
Energy: 1.3337262874044886
Energy: 1.1609372590324938
Energy: 1.1410998794041123
Energy: 1.2512865279476535
Energy: 1.6440950903021976
Energy: 1.3227776345559226
Energy: 1.4449078344046826
Energy: 1.4457379954284664
Energy: 1.3199953433407972
Energy: 1.3015151472827957

minimum gb energy = 0.878369772279596 eV
minimum distance =  2.30340728597038 Angstroms
sigma value = 57


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

Energy: 1.5217825318132148
Energy: 1.346934321273922
Energy: 1.2695272204765002
Energy: 1.175859183551712
Energy: 1.487532062553533
Energy: 1.3991855177506745
Energy: 1.4964703755279931
Energy: 0.9212601085299496
Energy: 0.9095388368922527
Energy: 0.9390886688809501
Energy: 0.9324128359909838
Energy: 0.9728413197243234
Energy: 1.1993792981267943
Energy: 0.8562628623787266
Energy: 0.8791795744383668
Energy: 1.038892790936191
Energy: 0.9259751015269322
Energy: 0.8786541383722649
Energy: 0.9583291002477231
Energy: 0.8385659010616959
Energy: 0.8682723775517982
Energy: 0.9597728303314403
Energy: 0.9866643537072765
Energy: 0.8828865337937334
Energy: 0.9993968900163598
Energy: 0.8740185973162782
Energy: 0.8824488507591984
Energy: 0.9994666738746124
Energy: 0.8808843640546336
Energy: 0.8815580349672362
Energy: 1.2242713286963114
Energy: 0.862909904223256
Energy: 0.8633773587732789
Energy: 0.9377126308359118
Energy: 0.9467962945504635
Energy: 0.8630876620117162
Energy: 1.4234277054472344
Energy: 0.9154762257056486
Energy: 0.9005726564783187
Energy: 1.0080250271247297
Energy: 0.9333620879772605
Energy: 1.0536657407360426
Energy: 1.3621387637457758
Energy: 1.1155458662825863
Energy: 1.170075134422863
Energy: 1.0245833589450164
Energy: 1.1198243751824353
Energy: 1.1710232401273504
Energy: 1.2957901962469012
Energy: 0.9837262317275033
Energy: 1.0024220467762024
Energy: 1.2088441448089788
Energy: 0.9248923255144161
Energy: 1.0013291945590985
Energy: 1.2969916947351845
Energy: 1.1215981009070841
Energy: 1.1081966042204814
Energy: 1.2725970430409805
Energy: 1.1422808868862189
Energy: 1.0436595521202945
Energy: 1.2959799704741384
Energy: 1.0091207931720518
Energy: 0.995163198346125
Energy: 1.1878207091716178
Energy: 0.935868256316678
Energy: 1.240862300856025
Energy: 1.2693055308836885
Energy: 1.0283101487681028
Energy: 1.0144593124249095
Energy: 1.0453954878078784
Energy: 1.0131729932807159
Energy: 1.117003755855703
Energy: 1.6642530592899683
Energy: 1.0277578969622547
Energy: 1.1168738858893779
Energy: 1.4032081642156764
Energy: 1.0894341691117229
Energy: 1.2545037956940344
Energy: 0.945045843198133
Energy: 0.9374681132274634
Energy: 0.9723121414830995
Energy: 0.9210592462884657
Energy: 0.9191552498670051
Energy: 0.9234150564486151
Energy: 1.1433879282174064
Energy: 1.1475587140505283
Energy: 0.9409092670109509
Energy: 1.020843354390804
Energy: 1.1630098537081086
Energy: 0.9426985546369621
Energy: 0.9861894288049986
Energy: 0.8193430787908655
Energy: 0.9590590737797963
Energy: 0.9878061338799464
Energy: 0.9076858244779187
Energy: 0.9627366187857558
Energy: 0.9948688831993737
Energy: 0.908270034631536
Energy: 0.8943224509930262
Energy: 0.9324325158969139
Energy: 0.9411236836930107
Energy: 0.8632322839551694
Energy: 1.20960115057847
Energy: 0.9473552922254909
Energy: 0.8610349991750407
Energy: 0.9966172340525643
Energy: 0.9323721066779509
Energy: 0.8721929558930063
Energy: 0.9208850629055677
Energy: 1.0391764587564627
Energy: 0.9777787199565063
Energy: 0.8395608838089276
Energy: 1.016608126929992
Energy: 0.9791548318341626
Energy: 1.3252115707787597
Energy: 1.0361434883977123
Energy: 1.0000276050055434
Energy: 1.3174660731606704
Energy: 1.1660526490033387
Energy: 1.0006898334143413
Energy: 1.2728783529592125
Energy: 0.9844563252762428
Energy: 0.9289783892795477
Energy: 1.274676526322617
Energy: 0.9488095438820474
Energy: 0.9380246493789467
Energy: 1.5389775022894083
Energy: 1.2861608364865222
Energy: 1.1691055272832716
Energy: 1.474888488487915
Energy: 1.2663186853930475
Energy: 1.1759320291948978
Energy: 1.295120297456987
Energy: 0.9838341152578356
Energy: 1.052426574180913
Energy: 1.282397959364854
Energy: 0.9846339311061971
Energy: 1.0539954426284242
Energy: 1.6716196972441233
Energy: 1.0269280001046581
Energy: 1.1171444228519551
Energy: 1.1893962981206114
Energy: 1.1745471266300578
Energy: 1.2539822822362896

minimum gb energy = 0.8193430787908655 eV
minimum distance =  2.31146443447076 Angstroms
sigma value = 17


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

Energy: 1.8106080790215862
Energy: 1.1949730333918136
Energy: 1.2213870543080583
Energy: 1.1574857596566317
Energy: 1.4663607796983367
Energy: 1.074935998903325
Energy: 1.2994182931185188
Energy: 0.9705588295215629
Energy: 0.9819900818645909
Energy: 0.9348054895531349
Energy: 1.0585310817507416
Energy: 1.0468766551475208
Energy: 1.3645145655010618
Energy: 0.9296002019149412
Energy: 0.931301651614992
Energy: 1.219008806858566
Energy: 1.1121628772577576
Energy: 0.9321267153744697
Energy: 0.9699106917692953
Energy: 0.8803685120784412
Energy: 0.9296923375442511
Energy: 0.9708282644360278
Energy: 0.9299626986702383
Energy: 0.9751413255138258
Energy: 1.0004801208524103
Energy: 0.8378862575010945
Energy: 0.8387924918012136
Energy: 0.9718830639750907
Energy: 0.8397633102028204
Energy: 0.7970023888480064
Energy: 1.1938887330948482
Energy: 0.8772614378470674
Energy: 0.8079557717574622
Energy: 0.7708902037135411
Energy: 0.9235569250518821
Energy: 0.7709925687955139
Energy: 1.1204091308179633
Energy: 0.8707954141660816
Energy: 0.8819822731906903
Energy: 0.9606711423089578
Energy: 0.8761783858497626
Energy: 0.891462045155133
Energy: 1.1672571485318821
Energy: 0.8007420668874756
Energy: 0.8565374437106089
Energy: 0.8323281950342677
Energy: 0.832482429871581
Energy: 0.8509915796871227
Energy: 0.8447830416389744
Energy: 0.9300199971747959
Energy: 0.7818412408188075
Energy: 0.8403910676247481
Energy: 0.9271748497851385
Energy: 0.8389850641599723
Energy: 0.8721110117464554
Energy: 0.8344811145404019
Energy: 0.8076202504744919
Energy: 0.8716307118483569
Energy: 0.807834996063858
Energy: 0.850944513936087
Energy: 1.2071296381358174
Energy: 0.9652566374886198
Energy: 0.8048387329032707
Energy: 0.888204280662944
Energy: 1.010520076576082
Energy: 0.7964221283427372
Energy: 1.1847493764181385
Energy: 0.931554117336846
Energy: 1.0570098791854463
Energy: 1.0798168426880472
Energy: 1.052493784757108
Energy: 1.0564516572338936
Energy: 1.2806617607085986
Energy: 0.9808561178885475
Energy: 0.9665472430186969
Energy: 1.0567278731710326
Energy: 1.1259031790619882
Energy: 0.9524451763193906
Energy: 1.2367140809535122
Energy: 0.9377182125103192
Energy: 1.0560528674180492
Energy: 1.2380565558575714
Energy: 0.9254931653326345
Energy: 0.9816608856818472
Energy: 1.5031702806254204
Energy: 1.027027967223634
Energy: 1.1998037878373389
Energy: 1.5022425796793761
Energy: 1.0260756592753686
Energy: 1.1789606493653375
Energy: 1.2730233447459651
Energy: 0.9233680820898351
Energy: 1.0612673392253362
Energy: 1.0593888600438777
Energy: 0.9531263804343378
Energy: 0.979643007158101
Energy: 1.2520628619287462
Energy: 0.9981283840457773
Energy: 1.0675900979753943
Energy: 1.2924569014850602
Energy: 1.2259483422495572
Energy: 1.0649319114676503

minimum gb energy = 0.7708902037135411 eV
minimum distance =  2.32625900091492 Angstroms
sigma value = 17


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

Energy: 1.918547273965434
Energy: 1.4438674360740227
Energy: 1.0277710854171098
Energy: 1.0872881163613173
Energy: 1.4029310088771347
Energy: 0.9633721093113695
Energy: 1.20764707246448
Energy: 0.9109769355941489
Energy: 0.9174287995268855
Energy: 0.9203276212410536
Energy: 1.0375092112462763
Energy: 1.0479040819255092
Energy: 1.228383874779289
Energy: 0.8947589392141624
Energy: 0.8838379099431136
Energy: 1.1351139984296545
Energy: 1.1483473576958572
Energy: 0.8994057269337047
Energy: 0.9751634678928567
Energy: 0.9617356612168279
Energy: 0.884052653357599
Energy: 0.9764178410918458
Energy: 1.156914551859811
Energy: 0.8914438770327477
Energy: 1.008933118146009
Energy: 0.8128226709014139
Energy: 0.7858691929002305
Energy: 1.0097749777848077
Energy: 0.8117427641537784
Energy: 0.8483226377096915
Energy: 1.1666523570441654
Energy: 0.8734150959662784
Energy: 0.9528968959663809
Energy: 0.8595895691004396
Energy: 0.8443458360471141
Energy: 0.8570154595815483
Energy: 1.1206657250807097
Energy: 0.8473466318222603
Energy: 0.8772386428566651
Energy: 0.717107729518417
Energy: 0.8477059280366487
Energy: 0.8666140887740577
Energy: 0.9731259796670728
Energy: 0.7709343353083713
Energy: 0.7606792092375614
Energy: 0.9406858765374564
Energy: 0.7435103173625972
Energy: 0.8003893138324288
Energy: 0.7993893878213203
Energy: 0.8234292474421713
Energy: 0.8947400332464475
Energy: 0.7993452887800552
Energy: 0.8782745690348236
Energy: 0.8708487278504193
Energy: 0.7881079851783398
Energy: 0.7712984273489915
Energy: 0.7225008851775673
Energy: 0.7982230378147517
Energy: 0.7723220380657461
Energy: 0.7474158993998854
Energy: 1.0854877035353276
Energy: 0.8255936421016687
Energy: 0.7541732343615444
Energy: 0.7403286156933161
Energy: 0.8081644241802419
Energy: 0.7278233263262532
Energy: 1.0282782837572622
Energy: 0.8126675742189147
Energy: 0.809916538299644
Energy: 1.016291762269186
Energy: 0.802198977801232
Energy: 0.7980769340629155
Energy: 1.0866428340464371
Energy: 0.86057514630809
Energy: 0.8122585579938417
Energy: 1.056811921683574
Energy: 0.868468841278397
Energy: 0.8014197564729536
Energy: 0.8229534688056562
Energy: 0.7220420284447673
Energy: 0.9494484784541525
Energy: 0.8244884868245405
Energy: 0.7429722439461095
Energy: 0.865643829239985
Energy: 0.8422948169164852
Energy: 0.9001596313948662
Energy: 0.8183807032178674
Energy: 0.8425300497405316
Energy: 0.8322892298188099
Energy: 0.8779779858960441
Energy: 1.1948492131574806
Energy: 0.9652434192492105
Energy: 0.9836907395269061
Energy: 0.8162984853734628
Energy: 1.0287334846465497
Energy: 0.8177519737832745
Energy: 1.1788583588881745
Energy: 0.9881140236218294
Energy: 1.018933259388494
Energy: 1.1671376476735005
Energy: 1.0037347974268387
Energy: 0.8634322935303986
Energy: 1.0043078222030626
Energy: 0.9552996867604313
Energy: 0.9697102461121269
Energy: 1.186159485912059
Energy: 0.9648044048088668
Energy: 0.8186998968467221
Energy: 1.1491607398629713
Energy: 1.049173530144351
Energy: 1.0513089537650326
Energy: 1.1494652848156774
Energy: 1.2518744581304746
Energy: 0.9232581181345814
Energy: 1.3963296151599445
Energy: 0.9248991046230534
Energy: 0.9251144203939954
Energy: 1.3987423651108533
Energy: 0.9254559522146492
Energy: 1.0430824529406688
Energy: 1.2097375996588369
Energy: 0.8984791648452646
Energy: 1.039147384183814
Energy: 1.1180758665962913
Energy: 0.900750755123297
Energy: 0.9697266952351895
Energy: 1.2635752850428932
Energy: 0.9552385110222178
Energy: 1.0239279559886885
Energy: 1.2191518283649971
Energy: 1.1566621770421452
Energy: 0.9126174606906656
Energy: 1.1409035702197348
Energy: 0.9931273002463857
Energy: 0.9422640323774518
Energy: 1.1583144420788114
Energy: 1.0716210728500621
Energy: 1.0411587832354001
Energy: 1.2424073839155907
Energy: 1.171516333970679
Energy: 1.0315007401305982
Energy: 0.9423719389863796
Energy: 1.15684019237906
Energy: 0.9444823048441708
Energy: 0.980772476136737
Energy: 0.8600073569186824
Energy: 0.8821795103828046
Energy: 0.9803101198511558
Energy: 0.9033918975441495
Energy: 0.9001259074168926
Energy: 0.9632770670992621
Energy: 0.8143893551979967
Energy: 0.9010816535031848
Energy: 0.9661958013929477
Energy: 0.815629664655561
Energy: 0.9814144320793162
Energy: 1.144633157118027
Energy: 0.9961026625997251
Energy: 0.9426398278476611
Energy: 0.863151953193095
Energy: 0.9923270700748547
Energy: 0.8685105368531555
Energy: 0.9884191530648683
Energy: 0.8399427195955274
Energy: 0.8330470822717612
Energy: 0.9869029151421504
Energy: 0.8354529394113951
Energy: 0.8823254784544815
Energy: 1.2086185239190508
Energy: 0.8470017774150668
Energy: 0.7608181306587468
Energy: 0.8390563441966944
Energy: 0.8753158776186959
Energy: 0.7336243162970302
Energy: 0.7977541457872025
Energy: 0.7331431657743204
Energy: 0.7485850898802384
Energy: 0.7981539694678896
Energy: 0.7941770388906653
Energy: 0.8294495541563528
Energy: 0.7984708930795245
Energy: 0.6841520097334368
Energy: 0.7717151223162083
Energy: 0.7996632462390446
Energy: 0.9198691225051204
Energy: 0.8287140557266622
Energy: 1.2279550800426915
Energy: 0.778961717523079
Energy: 0.727435132560282
Energy: 0.7827154287774792
Energy: 0.8198618254384978
Energy: 0.7739319211091676
Energy: 1.0160161494021374
Energy: 0.8190250455719542
Energy: 0.8134061867392609
Energy: 1.0117826745238525
Energy: 0.81448576843499
Energy: 0.7947465570162457
Energy: 1.548316193857835
Energy: 0.8697402784483933
Energy: 0.8692617077791317
Energy: 0.780882941879217
Energy: 0.8135809813588832
Energy: 0.8776773710522514
Energy: 0.8407082836125522
Energy: 0.7252511280251102
Energy: 0.725668456541775
Energy: 0.841924048204631
Energy: 0.738832541272291
Energy: 0.8710810419387784
Energy: 0.8490463626976917
Energy: 0.7955805087706264
Energy: 0.8337104282601129
Energy: 0.851828324978069
Energy: 0.9409195138520507
Energy: 0.8548885893565872
Energy: 1.167206486066381
Energy: 0.8094963798939178
Energy: 0.8138980583685997
Energy: 0.9949171503917013
Energy: 0.9910985481266428
Energy: 0.8181320335811193
Energy: 1.1254977934154389
Energy: 0.9327998372524985
Energy: 0.9311192356278272
Energy: 0.7815943999823146
Energy: 1.0154216357263153
Energy: 1.0751508901777027
Energy: 1.0934452966312915
Energy: 1.048982745746499
Energy: 0.9574567574767001
Energy: 0.8755518317288374
Energy: 1.2454354536810943
Energy: 0.9304810829254158
Energy: 1.1754079640047508
Energy: 0.949173167155844
Energy: 0.9659587235946995
Energy: 1.124716256334915
Energy: 0.9463091641232795
Energy: 1.0480273593435028
Energy: 1.2273219025413458
Energy: 0.9250215645740594
Energy: 0.9657069734376599
Energy: 1.228755814526146
Energy: 0.9280200733944305
Energy: 1.117997365690802
Energy: 1.2743789121638796
Energy: 1.1771789443275198
Energy: 0.9650914419408482
Energy: 1.0854501571275557
Energy: 0.9993842207392171
Energy: 0.9644264016759879
Energy: 1.1462325303966943
Energy: 0.961841989360646
Energy: 0.9185560978141604
Energy: 1.1600669831558508
Energy: 1.0404780914232072
Energy: 1.0318844997263081

minimum gb energy = 0.6841520097334368 eV
minimum distance =  2.27505053815687 Angstroms
sigma value = 57


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

Energy: 1.7511748437373653
Energy: 1.244972008175087
Energy: 0.995586648902854
Energy: 0.9240389276163906
Energy: 1.3713916755033784
Energy: 1.0016058631616427
Energy: 1.1846168639362584
Energy: 0.9689376724910999
Energy: 0.9387428457494332
Energy: 0.8981108974923153
Energy: 1.1144007321689118
Energy: 1.0303969407079685
Energy: 1.1406950420832591
Energy: 0.8415704794265766
Energy: 0.847278459735952
Energy: 1.056990535518417
Energy: 1.069027935108192
Energy: 0.9026921112082836
Energy: 0.9584767603252198
Energy: 0.8416100550890429
Energy: 0.9078008301544842
Energy: 0.9289725471917435
Energy: 1.076055464901131
Energy: 0.863358904021719
Energy: 0.985246561268641
Energy: 0.7842915922171508
Energy: 0.7877790822600022
Energy: 0.9200527074061842
Energy: 0.7830431216678903
Energy: 0.7925748592417027
Energy: 1.0722024537925268
Energy: 0.825368116782804
Energy: 0.9092997781566213
Energy: 0.8116249726886574
Energy: 0.8465331735557693
Energy: 0.8048159619626383
Energy: 1.0358919433853373
Energy: 0.8049467172115601
Energy: 0.8566174831230878
Energy: 0.8236307138929526
Energy: 0.8023043322840115
Energy: 0.8601363555294715
Energy: 1.0452356700694523
Energy: 0.7793969291882167
Energy: 0.8189255389866227
Energy: 0.9043273149573198
Energy: 0.7827892665263042
Energy: 0.8006612858083287
Energy: 0.745883778033514
Energy: 0.8624132574684852
Energy: 0.8386478432152358
Energy: 0.7479326137741583
Energy: 1.0139907792673175
Energy: 0.8077647514051765
Energy: 0.7584650929074508
Energy: 0.7057457730229458
Energy: 0.6618800697168252
Energy: 0.7448821278829056
Energy: 0.7382260305110511
Energy: 0.6678743093954992
Energy: 0.9893511982907133
Energy: 0.7776689903857522
Energy: 0.7699290608824417
Energy: 0.7181020022129677
Energy: 0.7344032681345792
Energy: 0.7925164507987041
Energy: 0.9328538236437105
Energy: 0.7287563377460595
Energy: 0.7868473606109565
Energy: 0.9266270429651067
Energy: 0.7275194882461954
Energy: 0.7685258946331925
Energy: 0.9035597770211614
Energy: 0.7175572439867793
Energy: 0.688228329067512
Energy: 0.8938556436563158
Energy: 0.7180272799071178
Energy: 0.7068461604076703
Energy: 0.7231642153125908
Energy: 0.7786509389363243
Energy: 0.8391377054235554
Energy: 0.7246267305973834
Energy: 0.87565222180005
Energy: 0.7981328645529097
Energy: 0.7191865517972109
Energy: 0.8039728563883354
Energy: 0.6883695711024918
Energy: 0.7251113723244578
Energy: 0.7891710015297747
Energy: 0.7840447914237674
Energy: 1.0579588126477772
Energy: 0.8027707604369727
Energy: 0.794385861701682
Energy: 0.823782405405172
Energy: 0.753802173945972
Energy: 0.6631951582633935
Energy: 1.0199528484674785
Energy: 0.775900820232906
Energy: 0.7735372395214902
Energy: 1.0227976640339895
Energy: 0.7512415070421126
Energy: 0.7929391063546719
Energy: 0.9981971328818443
Energy: 0.757477544672488
Energy: 0.7538101193349032
Energy: 0.9880386935077653
Energy: 0.7572223142912289
Energy: 0.722228424571533
Energy: 0.7947539333339623
Energy: 1.0078006238482313
Energy: 0.924683412558934
Energy: 0.797099122545729
Energy: 0.9684435345044801
Energy: 0.8345411414837179
Energy: 1.0155616671496086
Energy: 0.8106866237744368
Energy: 0.862195466505606
Energy: 1.018600018813069
Energy: 0.79289588873401
Energy: 0.9178132259190283
Energy: 1.1232814195288183
Energy: 0.9437497968891663
Energy: 0.9702927027751823
Energy: 0.7802149765202006
Energy: 0.9621734661427266
Energy: 0.7866449919602639
Energy: 1.0586807563389442
Energy: 0.9360292709861813
Energy: 0.8356977787368408
Energy: 1.0641221720500995
Energy: 0.9327979452351804
Energy: 0.8777630226557674
Energy: 1.0915068482228119
Energy: 0.8941507037534427
Energy: 0.9013855483173416
Energy: 1.0269642966966028
Energy: 0.8944849413134851
Energy: 0.8433527034848707
Energy: 1.1303512017742297
Energy: 1.1936245596346513
Energy: 0.9236654642827794
Energy: 1.0943141944721113
Energy: 1.124282087294067
Energy: 0.917958050826488
Energy: 1.286506905998767
Energy: 0.889971063836194
Energy: 0.9601829157042368
Energy: 1.246681100386496
Energy: 0.8515224132143864
Energy: 0.9584943504951546
Energy: 1.2705458653124053
Energy: 0.8992914963023033
Energy: 1.0333318082489442
Energy: 1.0504598043414979
Energy: 0.8671237367236491
Energy: 1.010761469097367
Energy: 1.1105167937299827
Energy: 1.0898002081947997
Energy: 0.8915971931728247
Energy: 0.8421850923190679
Energy: 1.205154505234063
Energy: 0.9054643750432624

minimum gb energy = 0.6618800697168252 eV
minimum distance =  2.28460389261851 Angstroms
sigma value = 43


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

Energy: 1.714045300657396
Energy: 0.956241715670895
Energy: 0.7867325060058808
Energy: 0.7180059538775857
Energy: 1.16198828237188
Energy: 0.7097715785249401
Energy: 1.0435572296967723
Energy: 0.7855668901180278
Energy: 0.7909796854508502
Energy: 0.7721254861944679
Energy: 0.9315456806137711
Energy: 0.756472337140376
Energy: 0.9815115619886339
Energy: 0.6958546191524227
Energy: 0.7227179530819832
Energy: 0.8317191682908597
Energy: 0.854225283292665
Energy: 0.6986481049375194
Energy: 0.8425768618140951
Energy: 0.686323054509645
Energy: 0.7172553447837318
Energy: 0.8429499565553548
Energy: 0.8905186683019864
Energy: 0.7346468499166304
Energy: 0.8668128528771462
Energy: 0.6764912221087157
Energy: 0.6542587860040022
Energy: 0.8535648160922621
Energy: 0.7055580395500488
Energy: 0.6593391855736482
Energy: 0.8865616293153881
Energy: 0.6993220963239557
Energy: 0.6911405493779509
Energy: 0.6813074566874252
Energy: 0.6926910907158336
Energy: 0.6730472404995749
Energy: 0.8920606924293889
Energy: 0.7090753996989783
Energy: 0.7322547182474144
Energy: 0.8732726220597192
Energy: 0.7358412911067441
Energy: 0.813835065197566
Energy: 0.8620531692867626
Energy: 0.6773808144528074
Energy: 0.66704153495525
Energy: 0.8055674054505076
Energy: 0.6583035740231764
Energy: 0.635497521304825
Energy: 0.646932512048441
Energy: 0.6550133527031369
Energy: 0.6647644174544127
Energy: 0.6480999323308354
Energy: 0.8574484685535965
Energy: 0.6678091231474399
Energy: 0.7329285605465558
Energy: 0.5851391156419697
Energy: 0.5837669271497793
Energy: 0.6649446174326461
Energy: 0.5960813127849622
Energy: 0.5819518610251335
Energy: 0.8675921007039866
Energy: 0.6489466504247873
Energy: 0.6495008778818752
Energy: 0.6693807659288025
Energy: 0.6136654338844706
Energy: 0.6517811596100433
Energy: 0.8567913182232361
Energy: 0.6205854929294018
Energy: 0.6996012198225794
Energy: 0.7880473069077273
Energy: 0.6268336000623093
Energy: 0.7073733274686899
Energy: 0.832972331412742
Energy: 0.6441969241840851
Energy: 0.6476238624404633
Energy: 0.7986846109641567
Energy: 0.6445953579293522
Energy: 0.6460449473579836
Energy: 0.5996744888001118
Energy: 0.8603670461712262
Energy: 0.6398917183546035
Energy: 0.601458872562444
Energy: 0.8303008841907739
Energy: 0.6116154294365315
Energy: 0.6015036302424632
Energy: 0.5972069680964456
Energy: 0.558992917073087
Energy: 0.6020190897071893
Energy: 0.6045529604993961
Energy: 0.5844848680050051
Energy: 0.8186560324249781
Energy: 0.5970775334250387
Energy: 0.6454569740108603
Energy: 0.8288221978735487
Energy: 0.5899814333352599
Energy: 0.6347449849458052
Energy: 0.8784614802061071
Energy: 0.606631261698715
Energy: 0.6671102931124732
Energy: 0.8194735763194381
Energy: 0.5928338749957729
Energy: 0.6236449648180507
Energy: 0.6822680175024682
Energy: 0.6031581779782776
Energy: 0.5974006159891138
Energy: 0.677541445585855
Energy: 0.6037132670081331
Energy: 0.591870259203786
Energy: 0.5995436505908703
Energy: 0.7971831276511891
Energy: 0.6058813000069607
Energy: 0.6004058889705023
Energy: 0.7598825856543723
Energy: 0.6055545869613059
Energy: 0.7759456727163025
Energy: 0.6151253599970935
Energy: 0.6254494725158491
Energy: 0.7739398105264201
Energy: 0.6287368276834143
Energy: 0.6539928712524531
Energy: 0.8763847642931568
Energy: 0.61180627296793
Energy: 0.6819119185613767
Energy: 0.7931454443704009
Energy: 0.6035269946600513
Energy: 0.5885414560836295
Energy: 0.8701556771474824
Energy: 0.6033912481611905
Energy: 0.6391336213160095
Energy: 0.8234300251991495
Energy: 0.5977912500796663
Energy: 0.6563681275923781
Energy: 0.6209698628913148
Energy: 0.601108951148568
Energy: 0.5949644600237999
Energy: 0.620709248162857
Energy: 0.6508985103143321
Energy: 0.5898017817760557
Energy: 0.6207960635032154
Energy: 0.8422603968326796
Energy: 0.6342941028621172
Energy: 0.6214585359263686
Energy: 0.8110714517186608
Energy: 0.6397874881355249
Energy: 0.8434264537795441
Energy: 0.6612138476508487
Energy: 0.6648789966240762
Energy: 0.8160947866016065
Energy: 0.6606964518994742
Energy: 0.6347385551061748
Energy: 0.8544932328549049
Energy: 0.6497547090912287
Energy: 0.7088147931663493
Energy: 0.8322668353307859
Energy: 0.6561225533305558
Energy: 0.680639955924482
Energy: 0.901911650787842
Energy: 0.662355709672165
Energy: 0.6745943987801273
Energy: 0.6746143453165242
Energy: 0.6436335276264579
Energy: 0.6860588037492156
Energy: 0.8464634346401166
Energy: 0.6139954025341874
Energy: 0.5715331058564015
Energy: 0.7220125659833904
Energy: 0.6408045200651284
Energy: 0.5665306633534782
Energy: 0.7142736809389513
Energy: 0.6758761074274197
Energy: 0.6925147961963168
Energy: 0.7143977854206799
Energy: 0.867708267191033
Energy: 0.6797897371325653
Energy: 0.9217015991071483
Energy: 0.6872250607166767
Energy: 0.6956743466422418
Energy: 0.8984040889567118
Energy: 0.6784538806291333
Energy: 0.6931442572952758
Energy: 0.9758342228289245
Energy: 0.7861529545910522
Energy: 0.8174852808421458
Energy: 0.6839177508795702
Energy: 0.8545283032605179
Energy: 0.8923918015940272
Energy: 0.8737465686952788
Energy: 0.7551182776699632
Energy: 0.7615688266889362
Energy: 0.6895104717484146
Energy: 0.8172689489811737
Energy: 0.6887021895254797
Energy: 0.941787099850491
Energy: 0.7671553246453725
Energy: 0.7605683072118608
Energy: 0.8420828646595802
Energy: 0.7649211718862724
Energy: 0.7869960794852785
Energy: 0.9843409795855671
Energy: 0.7305558812797449
Energy: 0.7298695973252755
Energy: 0.9512222755798454
Energy: 0.9607983978721247
Energy: 0.7678805351329693
Energy: 1.011346298401271
Energy: 0.7133794042510536
Energy: 0.7460369909624284
Energy: 0.9217766888673514
Energy: 0.9271418345731645
Energy: 0.7530622105372456
Energy: 1.0445475297178175
Energy: 0.7663181246879927
Energy: 0.7631709025209785
Energy: 0.9794685837182672
Energy: 0.938989412860763
Energy: 0.7746743272277855

minimum gb energy = 0.558992917073087 eV
minimum distance =  2.26222997562674 Angstroms
sigma value = 81


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

Energy: 0.007181935110444569
Energy: 0.8796727202776968
Energy: 0.008070928717275303
Energy: 0.009869413090114073
Energy: 0.12753828497948225
Energy: 0.00813503342022226
Energy: 1.3604014258263628
Energy: 0.008129759004353056
Energy: 0.00832915197302903
Energy: 0.048108590022143426
Energy: 0.01242896242253832
Energy: 0.008287114564486308
Energy: 0.04620099335297567
Energy: 0.00796058899282257
Energy: 0.12937457145071005
Energy: 0.04591888096349204
Energy: 0.008030603621975833
Energy: 0.1287878648452548
Energy: 0.01152223221138552
Energy: 0.00782532174681254
Energy: 0.12888848719111864
Energy: 0.012808016503117343
Energy: 0.007856865766643755
Energy: 0.12849901559716703
Energy: 0.12340116762031726
Energy: 0.04623058516005521
Energy: 0.04680575507036539
Energy: 0.12327637217230372
Energy: 0.04630956955465788
Energy: 0.047644394216324285
Energy: 0.008561818796709156
Energy: 0.13208533994190744
Energy: 0.128475788725429
Energy: 0.010177952519037243
Energy: 0.008270023629481123
Energy: 0.008135152560416893
Energy: 0.04679066344877401
Energy: 0.008135587144578712
Energy: 0.008532973514646849
Energy: 0.04645727714405625
Energy: 0.008276348403329067
Energy: 0.008282393038152414
Energy: 0.04650083000772649
Energy: 0.007859692067413932
Energy: 0.13081129774853886
Energy: 0.04649006057825094
Energy: 0.007834435683583092
Energy: 0.12920769067064605
Energy: 0.009657467522710253
Energy: 0.007902327138380487
Energy: 0.12860834442708477
Energy: 0.01121847681296489
Energy: 0.007995565716792897
Energy: 0.0486658468099104
Energy: 0.12377848010230151
Energy: 0.04616142767439797
Energy: 0.045997679730750723
Energy: 0.12389600516491334
Energy: 0.14611259791845987
Energy: 0.1451818300036389

minimum gb energy = 0.007181935110444569 eV
minimum distance =  2.40562699137713 Angstroms
sigma value = 3


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

Energy: 0.764284347961047
Energy: 1.2726660588665164
Energy: 0.8499261384715762
Energy: 0.8017480507867173
Energy: 1.2229074780704234
Energy: 0.9686582278257807
Energy: 0.9839633780918322
Energy: 0.7348880458557089
Energy: 0.7161915088800979
Energy: 0.9054497524428817
Energy: 0.7232631161099451
Energy: 0.8336482034639449
Energy: 0.9840002453023933
Energy: 0.8520745369937288
Energy: 0.7069474825926871
Energy: 0.9840338703476538
Energy: 0.818744112601513
Energy: 0.8932154017331089
Energy: 0.8132579907826908
Energy: 0.7200197744693325
Energy: 0.7700814451458667
Energy: 0.875000410013657
Energy: 0.8913290106783155
Energy: 0.843222458033812
Energy: 0.8587051503858699
Energy: 0.7870455585935636
Energy: 0.7926344002161251
Energy: 0.8068023404408812
Energy: 0.7166121909569755
Energy: 0.7783412538230177
Energy: 0.7038854737288839
Energy: 0.9282672285999717
Energy: 0.8017810328865291
Energy: 0.7365711571077158
Energy: 1.0982644149514305
Energy: 0.7156371325271852
Energy: 0.7179492327896374
Energy: 0.8139423792116902
Energy: 0.8686016355338949
Energy: 0.719256899136099
Energy: 0.761573063632466
Energy: 0.9146554045632301
Energy: 0.7779854486770302
Energy: 0.7338548615640684
Energy: 0.7353500828976952
Energy: 0.7828235950527382
Energy: 0.675031562297983
Energy: 0.7364085999232729
Energy: 0.9004661424143593
Energy: 0.8369445091793333
Energy: 0.7858334836398754
Energy: 0.873827266787268
Energy: 0.7874961696116026
Energy: 0.7545926981574893
Energy: 0.7275863984827705
Energy: 0.6995775529704545
Energy: 0.6836014247779297
Energy: 0.7259037985544716
Energy: 0.6947379782833637
Energy: 0.6863828507599155
Energy: 0.6776631070239513
Energy: 0.6468088961615615
Energy: 0.7252030309351646
Energy: 0.6809453003351216
Energy: 0.7801288243098348
Energy: 0.6996214209346778
Energy: 0.6344042489017817
Energy: 0.7438706658878571
Energy: 0.759422685386906
Energy: 0.6302284991865308
Energy: 0.7081380251113707
Energy: 0.7673802208195545
Energy: 0.7106435308664012
Energy: 0.6797230793103677
Energy: 0.6909089974705138
Energy: 0.7199078590161935
Energy: 0.658902865541361
Energy: 0.7080312599596944
Energy: 0.6484294888859327
Energy: 0.7919387744001144
Energy: 0.793920737228115
Energy: 0.6640503742818579
Energy: 0.6110497307143273
Energy: 0.7274240597501096
Energy: 0.6757993625634765
Energy: 0.6480143814352549
Energy: 0.6537047511570958
Energy: 0.6724233179630396
Energy: 0.608913270188519
Energy: 0.6274582351131899
Energy: 0.6630538772103773
Energy: 0.7693880513365036
Energy: 0.7119933596165688
Energy: 0.7100732960122909
Energy: 0.7648379276951504
Energy: 0.6701389562339369
Energy: 0.580341385427751
Energy: 0.6719511517554363
Energy: 0.6689662412017837
Energy: 0.5895740558221426
Energy: 0.6606073150394489
Energy: 0.6642188840547358
Energy: 0.6843994081021093
Energy: 0.6454600656758669
Energy: 0.6644955371340145
Energy: 0.6314343027786252
Energy: 0.652205638287608
Energy: 0.6668136069144832
Energy: 0.6537146777747724
Energy: 0.8127085710065838
Energy: 0.8283219054276302
Energy: 0.65542538662603
Energy: 0.6306751669226653
Energy: 0.6903102772655239
Energy: 0.7092708018151783
Energy: 0.6085428592423191
Energy: 0.5969139819717213
Energy: 0.7113031030408508
Energy: 0.6156740185158259
Energy: 0.6885018265039641
Energy: 0.7606579560105463
Energy: 0.6805890321316188
Energy: 0.6902993242866372
Energy: 0.6726481099386087
Energy: 0.7539920645797162
Energy: 0.6832750961860431
Energy: 0.6200569546238508
Energy: 0.6680760237779837
Energy: 0.6911715959428649
Energy: 0.6196122877498002
Energy: 0.7144285145174251
Energy: 0.6829472629102876
Energy: 0.6433230352936378
Energy: 0.6976916653452946
Energy: 0.8247933793807999
Energy: 0.6384115249126735
Energy: 0.6541287949690064
Energy: 0.86937872428823
Energy: 0.6602535905674356
Energy: 0.7009879136671823
Energy: 0.7447852703615316
Energy: 0.6785179628886389
Energy: 0.7667236940677022
Energy: 0.7108112400460421
Energy: 0.7133757605251424
Energy: 0.6535435090557709
Energy: 0.6477107051094216
Energy: 0.7154750181861081
Energy: 0.6467318521018095
Energy: 0.7758063415893092
Energy: 0.7946996669225204
Energy: 0.7092221592579667
Energy: 0.7039386027083205
Energy: 0.7998043350282592
Energy: 0.729115907260446
Energy: 0.7308222088785983
Energy: 0.7055494420329368
Energy: 0.6551481520804349
Energy: 0.6596081786264002
Energy: 0.7067007959802264
Energy: 0.7518069939688031
Energy: 0.7183775695277496
Energy: 0.7231231633400124
Energy: 0.7906323400692231
Energy: 0.8222912602016892
Energy: 0.8063527740220164
Energy: 0.8112079298981835
Energy: 0.7828280419547323
Energy: 0.6813581614624749
Energy: 0.7933957169432486
Energy: 0.7395646566986714
Energy: 0.6921719805391452
Energy: 0.7874772994111991
Energy: 0.7075514254122508
Energy: 0.7907336220742591
Energy: 0.712089718164099
Energy: 0.7055103442329018
Energy: 0.7926922577533848
Energy: 0.7194090934460117
Energy: 0.946836511731845
Energy: 0.9867128960710184
Energy: 0.7517558302865825
Energy: 0.7324980653748691
Energy: 0.9909512780538329
Energy: 0.6970352724203404
Energy: 0.7458984910348566
Energy: 0.961547570755315
Energy: 0.8274905097603847
Energy: 0.8070365186631883
Energy: 0.8551118564355241
Energy: 0.7894864968390716
Energy: 0.837690657221012
Energy: 0.8007060363380691
Energy: 0.8298233613170751
Energy: 0.8357901331697869
Energy: 0.820896013224084
Energy: 0.8154370630372983
Energy: 0.8334375236188315

minimum gb energy = 0.580341385427751 eV
minimum distance =  2.248043391804 Angstroms
sigma value = 67


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

Energy: 0.8859449094284203
Energy: 1.2968519500670093
Energy: 1.0589263110283473
Energy: 0.872371544038459
Energy: 1.4362363019566098
Energy: 1.097937810844205
Energy: 1.205239192770187
Energy: 0.8539491738776339
Energy: 0.9427972169054252
Energy: 0.9346486206708619
Energy: 0.8487683953803136
Energy: 0.9915902531207742
Energy: 1.1086822545915849
Energy: 1.0388040267455914
Energy: 1.1288412736882023
Energy: 1.0995316104805508
Energy: 0.9613606796781385
Energy: 1.1133805930111254
Energy: 1.0202717782953827
Energy: 1.2216845651695205
Energy: 1.133187596946687
Energy: 0.9014596925896773
Energy: 0.9936855725567074
Energy: 1.1169594716560156
Energy: 1.1273839267906272
Energy: 0.8236241762138738
Energy: 0.8675466750188792
Energy: 1.056829829014527
Energy: 0.8776210160569619
Energy: 0.9608150221588007
Energy: 0.843063092281936
Energy: 1.2057563983833113
Energy: 0.9667009766438813
Energy: 0.9254907251969133
Energy: 1.204351809851794
Energy: 0.9197021777228885
Energy: 0.8751887085961918
Energy: 0.8988272900718058
Energy: 0.9840036418455199
Energy: 0.8690265692409721
Energy: 0.944973315884208
Energy: 0.942966395597709
Energy: 0.9270561909160289
Energy: 0.8643465910438559
Energy: 0.8639714339947787
Energy: 0.9287243822419642
Energy: 0.8638154127938096
Energy: 0.9165700692083267
Energy: 0.9211987153029777
Energy: 1.104656436667165
Energy: 0.9791393159634624
Energy: 0.9077496801160017
Energy: 0.9983904644715623
Energy: 1.0234442160905843
Energy: 0.8534781670591602
Energy: 0.8375882814988598
Energy: 0.8332446977921957
Energy: 0.8545265470424345
Energy: 0.8153741449738199
Energy: 0.8380305023249929
Energy: 0.8482019547379448
Energy: 0.9337855652903359
Energy: 0.8999964565538597
Energy: 0.9037471240143115
Energy: 0.9052717401925024
Energy: 0.8548164944492187
Energy: 0.8071531700859541
Energy: 0.8590950022750146
Energy: 0.8815284259201033
Energy: 0.8078447041880483
Energy: 0.8137468007620854
Energy: 0.9556805300194675
Energy: 0.849205954978288
Energy: 0.8317718970431212
Energy: 0.8712984913115631
Energy: 0.8508507561086157
Energy: 0.8250681752748952
Energy: 0.9574863279243853
Energy: 0.8253532974317576
Energy: 0.9512436937294559
Energy: 0.9799611580528828
Energy: 0.8367158402210767
Energy: 0.9159692213605904
Energy: 0.8566690228890698
Energy: 0.8575051804448542
Energy: 0.7801677826681626
Energy: 0.7790027703907861
Energy: 0.8580602740061655
Energy: 0.7952064763388864
Energy: 0.7833659606170327
Energy: 0.813893122797939
Energy: 1.024726778821063
Energy: 0.9384477146397138
Energy: 0.8268638757725297
Energy: 0.980142250608127
Energy: 0.88200905463402
Energy: 0.8750203949587533
Energy: 0.8391303815204024
Energy: 0.8503635844111275
Energy: 0.8775899445555054
Energy: 0.8411172784427485
Energy: 0.8701977143145738
Energy: 0.8560942389364352
Energy: 0.8667270916574142
Energy: 1.003069827330165
Energy: 0.8606163384855974
Energy: 0.8852960436877549
Energy: 0.9745064880860322
Energy: 0.8395068113744255
Energy: 1.0447108882200247
Energy: 1.0144567879912076
Energy: 0.8934431899926375
Energy: 1.0238763058359146
Energy: 0.9516823380562328
Energy: 0.94203138852977
Energy: 0.8698256305719578
Energy: 0.867561792425889
Energy: 0.9504522647038472
Energy: 0.9068672063003584
Energy: 0.8757501693578942
Energy: 1.0447865965384897
Energy: 0.9771239809981591
Energy: 0.978041473196368
Energy: 1.020981842231463
Energy: 0.9647945436589329
Energy: 0.9603930872990761
Energy: 1.0786151342746908
Energy: 0.9003553562695892
Energy: 0.9673936381742001
Energy: 1.0815477282082666
Energy: 0.9254050459748621
Energy: 0.9561051756329471
Energy: 1.1162952771480048
Energy: 0.9587572221301479
Energy: 0.9699793770733144
Energy: 0.9927827906492194
Energy: 0.8532323428762962
Energy: 0.9098799976792767

minimum gb energy = 0.7790027703907861 eV
minimum distance =  2.30278146256133 Angstroms
sigma value = 33


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

Energy: 1.8330951498536872
Energy: 1.5595971068447223
Energy: 1.3543889352747254
Energy: 1.1366816663915151
Energy: 1.57802110986304
Energy: 1.170111768429487
Energy: 1.3031316611797708
Energy: 0.9736808076961513
Energy: 1.0661923094238384
Energy: 1.130759716300669
Energy: 0.9705762129636926
Energy: 1.2404225825797546
Energy: 1.3363629757355162
Energy: 1.219036571135899
Energy: 1.2187848278958582
Energy: 1.3368086301428497
Energy: 1.163729713807217
Energy: 1.2143233991933065
Energy: 0.9861054266411549
Energy: 1.2200589527413974
Energy: 1.2203027628385277
Energy: 0.9870090547953888
Energy: 1.0326136979058413
Energy: 1.233516219285573
Energy: 1.1573405695307044
Energy: 0.9752239478701911
Energy: 0.9729631685557777
Energy: 1.160860089853222
Energy: 1.0065359792017583
Energy: 0.9484460046601025
Energy: 0.9823168675437439
Energy: 1.257124944682762
Energy: 1.250198430043473
Energy: 0.9986132255281539
Energy: 1.285681368201443
Energy: 1.0935091512588
Energy: 0.9571275538845327
Energy: 1.0626104390264124
Energy: 1.1560882145796965
Energy: 0.9586892060223738
Energy: 1.0871423215472593
Energy: 1.0432391410317445
Energy: 1.020290392763909
Energy: 0.9784398687518585
Energy: 0.97395805130832
Energy: 1.0213638880349813
Energy: 0.9801614956336161
Energy: 0.9751428923659857
Energy: 1.0253681975041613
Energy: 1.0778940688863106
Energy: 0.9918724797489514
Energy: 0.9584108089687677
Energy: 1.0739257210972186
Energy: 0.9702425338622828
Energy: 0.9035082455930593
Energy: 0.9522718334498992
Energy: 0.9455499085040219
Energy: 0.9411095939659045
Energy: 0.9149418408394319
Energy: 0.9417413672691639
Energy: 0.9345314308544057
Energy: 0.9952980111944782
Energy: 1.047876484653244
Energy: 0.975609855907115
Energy: 1.0674633018726771
Energy: 0.9876044531704365
Energy: 0.9804501373098993
Energy: 0.9439106276502055
Energy: 0.9345167124676624
Energy: 0.9818616653353236
Energy: 0.9567805492731861
Energy: 0.9971899500901831
Energy: 0.9475591109462044
Energy: 0.981741914186602
Energy: 0.9681431497580119
Energy: 0.948602100444104
Energy: 0.9994795477267178
Energy: 0.9889403067234931
Energy: 0.9428941628825086
Energy: 1.05610000551535
Energy: 1.0839698197208685
Energy: 0.9447159018791546
Energy: 1.0815218616169335
Energy: 0.9666143881968541
Energy: 1.004691635788
Energy: 0.9756610322855176
Energy: 0.9541393641623229
Energy: 0.9779952454001477
Energy: 0.9546189948022478
Energy: 0.9584868061050852
Energy: 1.098533854256419
Energy: 1.1238037064525535
Energy: 1.037966481220428
Energy: 1.0058437376947247
Energy: 1.1216559057857527
Energy: 1.0793377349506632
Energy: 1.1480430407469542
Energy: 1.0241008013470132
Energy: 1.019323508766499
Energy: 1.1495087811364049
Energy: 1.026865677862906
Energy: 1.0123297497962067
Energy: 1.163881048452399
Energy: 1.0591234879958487
Energy: 1.1761570384847595
Energy: 1.0147716991267812
Energy: 1.0325693170379606
Energy: 1.2309898134797157
Energy: 1.0077894166264725
Energy: 1.293165888003463
Energy: 1.439782213199471
Energy: 1.0318932955459805
Energy: 1.270355119606782
Energy: 1.026610471072854
Energy: 1.1732408883946073
Energy: 1.0112983920444016
Energy: 0.9802996248567749
Energy: 1.1800564962192148
Energy: 0.9701684528858989
Energy: 0.9841093833496939
Energy: 1.2086510343015726
Energy: 1.209909711348077
Energy: 1.2097227242347688
Energy: 1.214616088850698
Energy: 1.1609240102541498
Energy: 1.2137932893955499
Energy: 1.1080733085415375
Energy: 1.2165829703380358
Energy: 1.2244058148437154
Energy: 1.1313670539766405
Energy: 1.1687726252800055
Energy: 1.23388461370713
Energy: 1.158034201122729
Energy: 0.9333765591286781
Energy: 0.9741925208456561
Energy: 1.1458698054040668
Energy: 1.0081076673819895
Energy: 1.0534221205303933
Energy: 1.6881626664528728
Energy: 1.2772324348153776
Energy: 1.2380484232968731
Energy: 0.9983967154953133
Energy: 1.2737145834568735
Energy: 1.096878501993597
Energy: 1.0100034549816304
Energy: 1.0623068464001655
Energy: 1.1355532356828306
Energy: 1.025041134426533
Energy: 1.103596452924231
Energy: 0.9596632882718281
Energy: 1.0183408617801486
Energy: 0.9777059730134385
Energy: 0.9749841930415278
Energy: 1.0196714727196508
Energy: 1.033123674473292
Energy: 0.9793325736684206
Energy: 1.0958374773370012
Energy: 1.039347673285246
Energy: 0.991795226946131
Energy: 1.051747074885101
Energy: 1.0716638979393909
Energy: 0.9881446056007184
Energy: 0.9056447177825989
Energy: 0.9522338782931876
Energy: 0.9462775817612957
Energy: 0.9183356165085798
Energy: 0.9463943006522099
Energy: 0.9419256205666855
Energy: 0.9275536159010059
Energy: 1.0250726941072434
Energy: 1.0054365323639285
Energy: 1.0105517765838288
Energy: 1.039767779989202
Energy: 1.0436575318922516
Energy: 0.9807867399998084
Energy: 0.9449472787748182
Energy: 1.0460781644359356
Energy: 0.9805471964046413
Energy: 0.950911015270777
Energy: 1.0485580639664407
Energy: 0.9445654048603555
Energy: 0.9769701917807331
Energy: 0.9729561617486735
Energy: 0.9454068795437937
Energy: 0.9786579286382898
Energy: 0.8934059478852421
Energy: 0.9528457689585206
Energy: 1.0833917237032167
Energy: 0.9994190491844197
Energy: 0.9891552000759445
Energy: 1.076110499302438
Energy: 0.9648345730179286
Energy: 1.006130500366469
Energy: 0.9664432647492288
Energy: 0.9613213719570778
Energy: 0.9915559364605636
Energy: 0.9937539510387825
Energy: 0.9655060113308834
Energy: 0.9907416138705941
Energy: 1.121450464509802
Energy: 1.2084355815356014
Energy: 1.0797779142167352
Energy: 1.1310709336753717
Energy: 1.143354551332599
Energy: 1.2564364331707956
Energy: 1.0279032006113087
Energy: 1.0173708044683167
Energy: 1.1831488541116157
Energy: 0.9520806900252097
Energy: 1.0142967118916375
Energy: 1.1815359734105222
Energy: 1.1324834849533307
Energy: 1.1587303265118178
Energy: 0.9722637942423146
Energy: 1.0524089879933962
Energy: 1.22513569431035
Energy: 1.0161303159413293
Energy: 1.2383823119023984
Energy: 1.422601671796956
Energy: 1.0321800094704328
Energy: 1.2342956448086684
Energy: 1.022631692331122

minimum gb energy = 0.8934059478852421 eV
minimum distance =  2.29702789917384 Angstroms
sigma value = 41


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

Energy: 1.6598916555984617
Energy: 1.7370626766623498
Energy: 1.4435700814621044
Energy: 1.2207115203243561
Energy: 1.6116126711463612
Energy: 1.4561156895280607
Energy: 1.4281087801773589
Energy: 1.166197238127512
Energy: 1.185091851348518
Energy: 1.276664548903041
Energy: 1.2136960867400715
Energy: 1.2580458620085735
Energy: 1.346209157500097
Energy: 1.3539919657199808
Energy: 1.359949706186445
Energy: 1.2348482088214323
Energy: 1.156398424684731
Energy: 1.4054736163318344
Energy: 1.2102641870967157
Energy: 1.1631151106902078
Energy: 1.3767899465072566
Energy: 1.0742413590433657
Energy: 1.46620735493527
Energy: 1.2701305616154692
Energy: 1.1769348635927555
Energy: 1.1914465797509812
Energy: 1.1862794730812418
Energy: 1.2194997490716672
Energy: 1.210627181015224
Energy: 1.1924178107578463
Energy: 1.5180149102235485
Energy: 1.2723742995274494
Energy: 1.2647949082561014
Energy: 1.1670329201243925
Energy: 1.25343905702622
Energy: 1.2535161423922239
Energy: 1.1887411448593779
Energy: 1.2140326286265957
Energy: 1.203768830321308
Energy: 1.190303615499221
Energy: 1.2430757710147091
Energy: 1.1584838359429488
Energy: 1.1129332875089986
Energy: 1.1866250642045393
Energy: 1.189406744133108
Energy: 1.1128844396670978
Energy: 1.2340907643924834
Energy: 1.1583520873658328
Energy: 1.0747316132403357
Energy: 1.1388640434520256
Energy: 1.0428876805032354
Energy: 1.0805741253114234
Energy: 1.1930206603479292
Energy: 1.040419925332288
Energy: 1.2687212588083343
Energy: 1.0570067325062702
Energy: 1.1067092102265248
Energy: 1.159892736757894
Energy: 1.0942619857575049
Energy: 1.0736121032326453
Energy: 1.0609271082283753
Energy: 1.2849742067431054
Energy: 1.2847446651830323
Energy: 1.1045381279932158
Energy: 1.1926956784407634
Energy: 1.1667821538481942
Energy: 1.2592607371225863
Energy: 1.1865604618060324
Energy: 1.1954504091258675
Energy: 1.2603763007452795
Energy: 1.189342237143707
Energy: 1.197094071040702
Energy: 1.2882081399924796
Energy: 1.2545905291383204
Energy: 1.2537421180576853
Energy: 1.1352728312084035
Energy: 1.2493941949511085
Energy: 1.162689194151581
Energy: 1.1534375286358898
Energy: 1.277931594766546
Energy: 1.38382785116099
Energy: 1.191210616477552
Energy: 1.263892594729283
Energy: 1.3349938560323542

minimum gb energy = 1.040419925332288 eV
minimum distance =  2.25935634264407 Angstroms
sigma value = 11


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

Energy: 2.007017454204732
Energy: 1.8246666764505926
Energy: 1.6769492779808486
Energy: 1.4833265786107699
Energy: 1.9159908845507105
Energy: 1.5241036266801231
Energy: 1.4486694405996527
Energy: 1.2684747604294602
Energy: 1.3226165918659643
Energy: 1.329518155363702
Energy: 1.2821582805031044
Energy: 1.3264885339316859
Energy: 1.4093907959121326
Energy: 1.3590310528405027
Energy: 1.3837894402463402
Energy: 1.4111471630001875
Energy: 1.4412112530480985
Energy: 1.387641279023613
Energy: 1.3635471281816365
Energy: 1.3387821711511958
Energy: 1.2990561697894738
Energy: 1.3544211952159972
Energy: 1.3463595108567317
Energy: 1.3135795648648065
Energy: 1.356140372578802
Energy: 1.2142701415548394
Energy: 1.2219560718551328
Energy: 1.3816246787487851
Energy: 1.2601164781160656
Energy: 1.2204083139727402
Energy: 1.4545607540776488
Energy: 1.299605768406127
Energy: 1.2812799839656397
Energy: 1.2982983266432602
Energy: 1.2983061346316307
Energy: 1.3277974764797782
Energy: 1.3310740129702603
Energy: 1.3056992517639714
Energy: 1.2849350013951726
Energy: 1.280612744761736
Energy: 1.299000039914473
Energy: 1.3218337130596016
Energy: 1.280616222957709
Energy: 1.3217931937473157
Energy: 1.1985780350036497
Energy: 1.2367101225942172
Energy: 1.3895216293037629
Energy: 1.2220635260789159
Energy: 1.4219804609303424
Energy: 1.3475541455134121
Energy: 1.3276906774935386
Energy: 1.3949152365145645
Energy: 1.3192616760755607
Energy: 1.345982227229356
Energy: 1.4489550577629957
Energy: 1.3958539048648495
Energy: 1.3645737565206262
Energy: 1.4519588588409384
Energy: 1.4021281020715068
Energy: 1.361839534621336
Energy: 1.290450778368194
Energy: 1.3195641252096795
Energy: 1.2867040347279828
Energy: 1.2919714436809608
Energy: 1.3033755646127976
Energy: 1.321782151544141
Energy: 1.3634653047808019
Energy: 1.5843293841675297
Energy: 1.5584052745424997
Energy: 1.3583941242524977
Energy: 1.4690825965582555
Energy: 1.567368037418308
Energy: 1.351898391974344
Energy: 1.3207255610346316
Energy: 1.3345038816864363
Energy: 1.3027829083424183
Energy: 1.3209850547846869
Energy: 1.3498183770342957
Energy: 1.5051128886710028
Energy: 1.4146305373599104
Energy: 1.4251080094717388
Energy: 1.3666059758734679
Energy: 1.392220961705055
Energy: 1.4300047626421182
Energy: 1.3863951770305636
Energy: 1.2760659613980039
Energy: 1.2850416228303752
Energy: 1.378206383186469
Energy: 1.2880506771804654
Energy: 1.2863434256352746
Energy: 1.2273290373633061
Energy: 1.206792849124444
Energy: 1.2151284126713504
Energy: 1.228964705573218
Energy: 1.3135249823099353
Energy: 1.2170106518114145
Energy: 1.3441867534903544
Energy: 1.2204614627938657
Energy: 1.2331016947004856
Energy: 1.304606875444541
Energy: 1.312723502513424
Energy: 1.3508357584447823
Energy: 1.6395073364742219
Energy: 1.326537189472239
Energy: 1.3635797710461774
Energy: 1.3414978429943325
Energy: 1.3317674643646056
Energy: 1.327346580398365
Energy: 1.3264209094448076
Energy: 1.288661141212361
Energy: 1.2526386992969525
Energy: 1.2957382521569676
Energy: 1.3069403436369247
Energy: 1.3225785524107645
Energy: 1.493543574608755
Energy: 1.3991003971215215
Energy: 1.4013082193472
Energy: 1.3909542634888448
Energy: 1.4222731453472752
Energy: 1.2588991820974542
Energy: 1.3944505651574612
Energy: 1.4461366667980142
Energy: 1.290179783284261
Energy: 1.3148625321146732
Energy: 1.4677092139348322
Energy: 1.2867109442473497
Energy: 1.394777674837552
Energy: 1.3244188333196556
Energy: 1.2786797572308293
Energy: 1.3574212214812935
Energy: 1.3507964644288446
Energy: 1.2795355367863293
Energy: 1.5171903322951128
Energy: 1.2260743464024406
Energy: 1.5178405222857543
Energy: 1.453625210787136
Energy: 1.4145444137250494
Energy: 1.47215847590966
Energy: 1.377875349833435
Energy: 1.3385297259578757
Energy: 1.3120552212786258
Energy: 1.3105717705280988
Energy: 1.3046363925271518
Energy: 1.245199361896206
Energy: 1.3090350355824578
Energy: 1.356542198040567
Energy: 1.3547648229166467
Energy: 1.2966375229246405
Energy: 1.3028553464620458
Energy: 1.3538033282117625
Energy: 1.2536129440703143
Energy: 1.3239487332484117
Energy: 1.3278621457193112
Energy: 1.3126368321061277
Energy: 1.317400501812604
Energy: 1.269576397879528
Energy: 1.3518096727689162
Energy: 1.2508430845707483
Energy: 1.246570325728177
Energy: 1.263964162122031
Energy: 1.2515294943300175
Energy: 1.269146608404759
Energy: 1.2811978572344513
Energy: 1.4148376975837007
Energy: 1.3992508815697708
Energy: 1.2074043889054242
Energy: 1.3728272336987486
Energy: 1.2995964136338887
Energy: 1.3837004599919238
Energy: 1.319076367177583
Energy: 1.3895219619893489
Energy: 1.3851566265784452
Energy: 1.3049834551320525
Energy: 1.3876171297050495
Energy: 1.4579119810621897
Energy: 1.3054325842907344
Energy: 1.3266178272279874
Energy: 1.359297691522424
Energy: 1.2672446537095965
Energy: 1.3188431520567612
Energy: 1.5070771107328262
Energy: 1.3918264118857175
Energy: 1.6119741067855697
Energy: 1.3989272608340615
Energy: 1.4631062024029498
Energy: 1.5841025798831148

minimum gb energy = 1.1985780350036497 eV
minimum distance =  2.25588396315539 Angstroms
sigma value = 57


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

Energy: 1.7869341706865973
Energy: 1.4431918654842537
Energy: 1.4278156472632184
Energy: 1.4016075175703606
Energy: 1.8562181585654616
Energy: 1.4039716110179372
Energy: 1.4695553254923701
Energy: 1.2999159484773843
Energy: 1.3012011462641315
Energy: 1.2979773178495735
Energy: 1.3512672540064823
Energy: 1.2580248370356402
Energy: 1.404680159558346
Energy: 1.3193103818547276
Energy: 1.3223619650597236
Energy: 1.404939606977864
Energy: 1.3357776155746948
Energy: 1.48903010930465
Energy: 1.3206085264260639
Energy: 1.2754070622837292
Energy: 1.2701505951469438
Energy: 1.2924107389677255
Energy: 1.4086776963523704
Energy: 1.2862929167979722
Energy: 1.4017698323868084
Energy: 1.3793427086659713
Energy: 1.2491853352042337
Energy: 1.4232048124627066
Energy: 1.3688873795095167
Energy: 1.2288212960557596
Energy: 1.4057222296232932
Energy: 1.3630253604372673
Energy: 1.355586168160661
Energy: 1.4263581510368932
Energy: 1.3302895017062555
Energy: 1.3620357642014784
Energy: 1.4144707847793347
Energy: 1.322390022631577
Energy: 1.3303344747411832
Energy: 1.3272299069950773
Energy: 1.323830545628657
Energy: 1.2905882653500007
Energy: 1.59358873489763
Energy: 1.3283092612998277
Energy: 1.2319913464753636
Energy: 1.3903448290507086
Energy: 1.3298835550764014
Energy: 1.2532820221785321
Energy: 1.5594035688268613
Energy: 1.3461007091557824
Energy: 1.421417605166114
Energy: 1.5571004246017546
Energy: 1.3252305290991147
Energy: 1.421608600348461
Energy: 1.5587453300174883
Energy: 1.3569184786239967
Energy: 1.4199339742298402
Energy: 1.411906814562136
Energy: 1.3672900954942309
Energy: 1.3193636429394004
Energy: 1.351095550294263
Energy: 1.2970862091066937
Energy: 1.2885371970714057
Energy: 1.2876315205067188
Energy: 1.297105960501595
Energy: 1.271201508468012
Energy: 1.3192620530007684
Energy: 1.3692450903622333
Energy: 1.3492298383633625
Energy: 1.3191916018989465
Energy: 1.3715319601695526
Energy: 1.3074711845964462
Energy: 1.2723819389862971
Energy: 1.3036156141675153
Energy: 1.2701957260266723
Energy: 1.2959288120635066
Energy: 1.2866771674592876
Energy: 1.301914055219698
Energy: 1.4022202831242057
Energy: 1.3598877454060176
Energy: 1.3189609490718615
Energy: 1.3487673063690409
Energy: 1.3548064251733911
Energy: 1.3232130451552213
Energy: 1.415117558692048
Energy: 1.2603194951363028
Energy: 1.2422870721530686
Energy: 1.327778373693133
Energy: 1.2333651289707728
Energy: 1.2358257565766555
Energy: 1.4378384135766193
Energy: 1.2500084739412463
Energy: 1.2463050685947934
Energy: 1.4393089538166741
Energy: 1.275776853304576
Energy: 1.2424900585559016
Energy: 1.4046822995652197
Energy: 1.3050789430040723
Energy: 1.3071456428076853
Energy: 1.3375208896140278
Energy: 1.2901755465861275
Energy: 1.2887818064718501

minimum gb energy = 1.2288212960557596 eV
minimum distance =  2.28153746764485 Angstroms
sigma value = 9


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

Energy: 2.1976505895655523
Energy: 2.196822380404128
Energy: 1.6673288780667055
Energy: 1.8095444244383372
Energy: 2.244899431775277
Energy: 1.7412784635358098
Energy: 1.502065808206227
Energy: 1.2902089529859786
Energy: 1.2787157147061992
Energy: 1.4034198375030735
Energy: 1.27190293187231
Energy: 1.2740160466780897
Energy: 1.4392719728037524
Energy: 1.380700802016043
Energy: 1.3406731663912776
Energy: 1.4399078996380772
Energy: 1.4036359213898362
Energy: 1.3697817182950227
Energy: 1.3143302134727481
Energy: 1.2714905973837631
Energy: 1.2909631369168624
Energy: 1.3115709111937648
Energy: 1.276024822002562
Energy: 1.3055340149802532
Energy: 1.4395686442337396
Energy: 1.3374346488190336
Energy: 1.3365717430073243
Energy: 1.4217500826429086
Energy: 1.4111904473811987
Energy: 1.315322792405289
Energy: 1.2821472401153642
Energy: 1.2692054091880538
Energy: 1.2519593419374209
Energy: 1.2839998927754765
Energy: 1.2719269522385213
Energy: 1.3063078922411109
Energy: 1.474603057877026
Energy: 1.459960124919315
Energy: 1.7425086764981201
Energy: 1.4742679113832386
Energy: 1.49417306125629
Energy: 1.7078846075740706
Energy: 1.3211332760589052
Energy: 1.308626735815663
Energy: 1.2851955456668647
Energy: 1.3220203809019946
Energy: 1.3207448292624069
Energy: 1.2904754595634922
Energy: 1.4724686839443046
Energy: 1.2932550875440878
Energy: 1.304041154172589
Energy: 1.4044032779260758
Energy: 1.3031366075122475
Energy: 1.3771092799498708
Energy: 1.471436068747436
Energy: 1.267281746151528
Energy: 1.2695081274976039
Energy: 1.4626378797976223
Energy: 1.3114702982961735
Energy: 1.257797863215839
Energy: 1.3729367966817043
Energy: 1.377190339560879
Energy: 1.3201741634773405
Energy: 1.3746725519284335
Energy: 1.3950384651813141
Energy: 1.321757519720133
Energy: 1.3724754211627208
Energy: 1.3308375515589412
Energy: 1.338877194790994
Energy: 1.3736971169832226
Energy: 1.3559142556154005
Energy: 1.3173204192781887
Energy: 1.5864566992468923
Energy: 1.3556315076641674
Energy: 1.3336816133398537
Energy: 1.5286755987261273
Energy: 1.3687364522810035
Energy: 1.3948497149178227
Energy: 1.5184054532863405
Energy: 1.3717959713981172
Energy: 1.3587896574592504
Energy: 1.4838462570823407
Energy: 1.4212035511312744
Energy: 1.3382234090645275
Energy: 1.4477569669357573
Energy: 1.2419456700601001
Energy: 1.268082569800084
Energy: 1.449041930673833
Energy: 1.247454163789913
Energy: 1.4091591123426512
Energy: 1.4123994897838579
Energy: 1.5919254547886414
Energy: 1.289715037038876
Energy: 1.4150507880688163
Energy: 1.3964636884762176
Energy: 1.2643851780909015
Energy: 1.3767119520598807
Energy: 1.3063838870553126
Energy: 1.2994406181945157
Energy: 1.3740272487393064
Energy: 1.371983622206158
Energy: 1.3367833664424567
Energy: 1.5592716204222086
Energy: 1.4573256975209345
Energy: 1.4040147781558487
Energy: 1.4553806971506695
Energy: 1.4438195681612165
Energy: 1.4009499570855095
Energy: 1.4253592072372976
Energy: 1.351569836228172
Energy: 1.3606782096870518
Energy: 1.430561416631758
Energy: 1.3962560183729797
Energy: 1.399369783541834
Energy: 1.501633855472389
Energy: 1.3334198357106033
Energy: 1.3269411245320373
Energy: 1.5004627036071505
Energy: 1.4468663286171952
Energy: 1.3803447142915544
Energy: 1.3739933177997168
Energy: 1.2695102117110508
Energy: 1.2761089061512068
Energy: 1.2730585818460525
Energy: 1.2565012145725192
Energy: 1.2795977059477066

minimum gb energy = 1.2419456700601001 eV
minimum distance =  2.27427302247551 Angstroms
sigma value = 27


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

Energy: 2.048577650847057
Energy: 1.716737427422764
Energy: 1.8481068496315156
Energy: 1.847848277871257
Energy: 2.094530102953024
Energy: 1.848683080856875
Energy: 1.5607307262649153
Energy: 1.7024711494800182
Energy: 1.7035079144317637
Energy: 1.4752711965291956
Energy: 1.6815519018960414
Energy: 1.7068882674825419
Energy: 1.48054010132634
Energy: 1.4521763324815773
Energy: 1.3904846708170928
Energy: 1.4806977033608828
Energy: 1.4050363226978522
Energy: 1.3926533605035134
Energy: 1.4574494373884512
Energy: 1.3059829530945848
Energy: 1.3489576100187364
Energy: 1.462425772008565
Energy: 1.281269762259406
Energy: 1.3204050063517947
Energy: 1.4369473050037003
Energy: 1.3877199877754514
Energy: 1.3420303835017056
Energy: 1.2974412398629376
Energy: 1.4788409906665443
Energy: 1.291032288668731
Energy: 1.604773559645644
Energy: 1.3953128101010337
Energy: 1.3999730682159424
Energy: 1.351412154978793
Energy: 1.2954264129186261
Energy: 1.5139922235284335
Energy: 1.5401767090093774
Energy: 1.6737515918220411
Energy: 1.5992650181652432
Energy: 1.5409811638947817
Energy: 1.5740343549810887
Energy: 1.5971084261639426
Energy: 1.6022075183159659
Energy: 1.5318127633686622
Energy: 1.5278496099286631
Energy: 1.5609032222476444
Energy: 1.384319457356054
Energy: 1.5262149599670058
Energy: 1.470810558732887
Energy: 1.3169029788338686
Energy: 1.3106747004100037
Energy: 1.3451119989363336
Energy: 1.3404913179563709
Energy: 1.3491340907436253
Energy: 1.4493760256656858
Energy: 1.2810225831294229
Energy: 1.2791953757289638
Energy: 1.314009790261882
Energy: 1.2817869765881893
Energy: 1.2819434603472577
Energy: 1.6787082765189938
Energy: 1.4871440384449999
Energy: 1.481801159474837
Energy: 1.679414913717295
Energy: 1.332517059848139
Energy: 1.48172249743482
Energy: 1.508762754817595
Energy: 1.3499309676495759
Energy: 1.3511111084221306
Energy: 1.5075738908070715
Energy: 1.4354139891600601
Energy: 1.5069426434422208
Energy: 1.8388010503613281
Energy: 1.541822229464113
Energy: 1.5479461681079905
Energy: 1.5606260232864106
Energy: 1.5355984062317576
Energy: 1.5661634002545632
Energy: 1.5542308987353528
Energy: 1.509280461114001
Energy: 1.5203784575885224
Energy: 1.471511778362954
Energy: 1.613709288499419
Energy: 1.5195209563593821
Energy: 1.4218603764441105
Energy: 1.3158681641847187
Energy: 1.3283649838530593
Energy: 1.4214436853559853
Energy: 1.3202004570269628
Energy: 1.309126865387982
Energy: 1.3886348107712616
Energy: 1.3302988682734138
Energy: 1.3439013348957751
Energy: 1.389401862992417
Energy: 1.3269511980668138
Energy: 1.2606638384631415
Energy: 1.29794380643948
Energy: 1.3462479831908787
Energy: 1.3511157101423963
Energy: 1.298603176408391
Energy: 1.3482702912098798
Energy: 1.3284350070070625
Energy: 1.5728223890469162
Energy: 1.3288573162851545
Energy: 1.3506197980096777
Energy: 1.4862895854009295
Energy: 1.369421903282207
Energy: 1.3347639390973578
Energy: 1.548649074772795
Energy: 1.3869155778906954
Energy: 1.5362366656079998
Energy: 1.5500660795119716
Energy: 1.4928859692809604
Energy: 1.5335461616736537
Energy: 1.598833626138182
Energy: 1.5291990277162117
Energy: 1.5195369012255169
Energy: 1.586160249381746
Energy: 1.3984723994504047
Energy: 1.516455885287618
Energy: 1.6045801751405884
Energy: 1.2966781989471359
Energy: 1.295113336494496
Energy: 1.4130528862668221
Energy: 1.3250008851566633
Energy: 1.3695600392090268
Energy: 1.395684855133554
Energy: 1.3894553855510376
Energy: 1.3403095106108187
Energy: 1.3963709721507012
Energy: 1.4373502593970686
Energy: 1.3109193389203428
Energy: 1.5744081215166854
Energy: 1.3900277943954262
Energy: 1.3615934318454705
Energy: 1.4670747304758807
Energy: 1.3938125872955693
Energy: 1.3599414067953777
Energy: 1.5531491605995023
Energy: 1.4733182874823367
Energy: 1.403682671059452
Energy: 1.5420132346488244
Energy: 1.448190371059164
Energy: 1.4040366669394695
Energy: 1.3199774779299456
Energy: 1.6951032212762664
Energy: 1.6723101634672821
Energy: 1.3080451919861134
Energy: 1.687850021802054
Energy: 1.3299486157869764

minimum gb energy = 1.2606638384631415 eV
minimum distance =  2.28861397671454 Angstroms
sigma value = 19


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

Energy: 2.1661117953065983
Energy: 2.379137742544451
Energy: 2.06065587197808
Energy: 1.8835824565185157
Energy: 2.367107194462063
Energy: 2.0812676244071895
Energy: 1.5264911513412673
Energy: 1.2822045832729165
Energy: 1.265080573465483
Energy: 1.3227398164753055
Energy: 1.2660111597287447
Energy: 1.2463732413577302
Energy: 1.469544911921053
Energy: 1.2729079445434992
Energy: 1.3158505607721416
Energy: 1.4165253647588523
Energy: 1.4291844150432702
Energy: 1.2767070603136579
Energy: 1.298545160329199
Energy: 1.2446528437800175
Energy: 1.236937566712998
Energy: 1.2753487474295524
Energy: 1.2494901030279495
Energy: 1.2319714888024182
Energy: 1.3694258742271845
Energy: 1.2927416155273317
Energy: 1.285825767460302
Energy: 1.3392655186029805
Energy: 1.4161769449992312
Energy: 1.3200644483262645
Energy: 1.2521970417622024
Energy: 1.25220679148283
Energy: 1.2606611364286342
Energy: 1.252716854217807
Energy: 1.2747989652498082
Energy: 1.2670586525817493
Energy: 1.2364223271815353
Energy: 1.3675131431058338
Energy: 1.2557360484792615
Energy: 1.2353793454594926
Energy: 1.2767849106020195
Energy: 1.2545162521686373
Energy: 1.3394914957846813
Energy: 1.247395261098184
Energy: 1.2525853282988655
Energy: 1.3375627486778536
Energy: 1.237554917255911
Energy: 1.2501810090370336
Energy: 1.3328369184316673
Energy: 1.2752002437399255
Energy: 1.267575889097751
Energy: 1.3034663451371054
Energy: 1.4384515776213802
Energy: 1.2603564714269784
Energy: 1.2823261587799808
Energy: 1.2592497072917819
Energy: 1.2401412408686319
Energy: 1.2891128633684237
Energy: 1.2362064421400842
Energy: 1.247419422168723
Energy: 1.5416515236060944
Energy: 1.2653184985477404
Energy: 1.2610716512322686
Energy: 1.4475051550082387
Energy: 1.2653829692142151
Energy: 1.2608988201081457
Energy: 1.334692433914558
Energy: 1.2447457424507637
Energy: 1.2241750491897694
Energy: 1.335922347994443
Energy: 1.2435654413613106
Energy: 1.2341015565400812
Energy: 1.4227579349218447
Energy: 1.2161948220118397
Energy: 1.2274521686279605
Energy: 1.450103375541122
Energy: 1.273878330369196
Energy: 1.2404167379773283
Energy: 1.3808019823207223
Energy: 1.2068956556168575
Energy: 1.228481180274425
Energy: 1.256681406699623
Energy: 1.208867436025851
Energy: 1.22425090097138
Energy: 1.453933162277217
Energy: 1.2429684241693286
Energy: 1.2347037083639922
Energy: 1.4551167552700566
Energy: 1.264286229874546
Energy: 1.2436131160710122
Energy: 1.381833346985366
Energy: 1.2337578801050813
Energy: 1.2308826682276612
Energy: 1.262225470503822
Energy: 1.2279953720532568
Energy: 1.2273375676609384
Energy: 1.4041104088746563
Energy: 1.2805385278073473
Energy: 1.2819564750515238
Energy: 1.576460399802166
Energy: 1.3835340425297724
Energy: 1.226114400358424
Energy: 1.3106993510791007
Energy: 1.2311534337136127
Energy: 1.2323197837378996
Energy: 1.2454849029620618
Energy: 1.2431311627238006
Energy: 1.227695462395448
Energy: 1.2994559023290218
Energy: 1.3647968699773492
Energy: 1.2652904567163827
Energy: 1.3002173252448594
Energy: 1.2659645836837965
Energy: 1.2263949022690812
Energy: 1.2714670838031514
Energy: 1.3651061884745022
Energy: 1.2514795825544176
Energy: 1.2482456821823047
Energy: 1.2996747110097513
Energy: 1.2567499946978196
Energy: 1.2932524371528893
Energy: 1.2450836195432615
Energy: 1.2434274977003776
Energy: 1.2437201334927488
Energy: 1.2899635382764225
Energy: 1.2331762779363091
Energy: 1.2325561606576103
Energy: 1.2513304366405007
Energy: 1.2451452094149371
Energy: 1.2190813173372326
Energy: 1.258786163782231
Energy: 1.2412204457158247
Energy: 1.2599861485081707
Energy: 1.2829843952650672
Energy: 1.2801845992795353
Energy: 1.258326177999255
Energy: 1.5079423335745104
Energy: 1.3109271835954417
Energy: 1.238864961776223
Energy: 1.3574926525595894
Energy: 1.2514787670847405
Energy: 1.2390828749214156
Energy: 1.299130118452851
Energy: 1.2127620447112346
Energy: 1.3243823754989512
Energy: 1.2311613542054516
Energy: 1.2297633246064468
Energy: 1.3104581464709406
Energy: 1.3320297251325672
Energy: 1.2330958281459303
Energy: 1.3850749731318193
Energy: 1.354035910379556
Energy: 1.2509679853836284
Energy: 1.3168977313059804
Energy: 1.4096975758002224
Energy: 1.255940335067697
Energy: 1.3571526182882374
Energy: 1.250733552749987
Energy: 1.2497283523233962
Energy: 1.3585041952426382
Energy: 1.2547643219731086
Energy: 1.2502107767500208
Energy: 1.4548169756613691
Energy: 1.2604705057448353
Energy: 1.2498235142909073
Energy: 1.4554996577132195
Energy: 1.2952960703781298
Energy: 1.257309580962708
Energy: 1.4317917855805908
Energy: 1.314454215599396
Energy: 1.3191837353176963
Energy: 1.4562657701284039
Energy: 1.3131481436704286
Energy: 1.2358729221789635

minimum gb energy = 1.2068956556168575 eV
minimum distance =  2.25446798580757 Angstroms
sigma value = 101


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

Energy: 1.9832927819081643
Energy: 2.3941616827029177
Energy: 2.040743913683056
Energy: 1.7874826619764328
Energy: 2.320835259625324
Energy: 1.2330030051434269
Energy: 1.3374603072352198
Energy: 1.1937833042503172
Energy: 1.176597727302207
Energy: 1.206166408327607
Energy: 1.1898932739828987
Energy: 1.173548483759189
Energy: 1.4711606560474564
Energy: 1.215264752492235
Energy: 1.2877456618142433
Energy: 1.4723824611750886
Energy: 1.2159224067924326
Energy: 1.2333303895351784
Energy: 1.2560185252311638
Energy: 1.1675058392031186
Energy: 1.1651843446092551
Energy: 1.1816361527695882
Energy: 1.1944308472054932
Energy: 1.151077585553321
Energy: 1.2798536113135461
Energy: 1.235384266518036
Energy: 1.192743516401661
Energy: 1.2542758647516814
Energy: 1.4087424799886694
Energy: 1.2038801441915326
Energy: 1.2393233835140829
Energy: 1.2081390963480363
Energy: 1.1831925946139958
Energy: 1.2383514866308716
Energy: 1.2194486384891332
Energy: 1.186663689960636
Energy: 1.2442157929511966
Energy: 1.21626348863955
Energy: 1.2090290828692332
Energy: 1.2434699966991698
Energy: 1.2214191257731153
Energy: 1.2079323485130322
Energy: 1.1922414135917467
Energy: 1.1898130875912676
Energy: 1.1768703505291338
Energy: 1.1867637372480782
Energy: 1.1767011511523655
Energy: 1.1959479053299025
Energy: 1.21877732312036
Energy: 1.2501552718810174
Energy: 1.1771920815493848
Energy: 1.2151164516360187
Energy: 1.4424553634289277
Energy: 1.1764861734830736
Energy: 1.2183025129272909
Energy: 1.1591810219330005
Energy: 1.1860025561738359
Energy: 1.2323954318927
Energy: 1.1591739430677905
Energy: 1.186789486408453
Energy: 1.524517438573937
Energy: 1.2028452625950041
Energy: 1.2106321439270495
Energy: 1.5256604765967776
Energy: 1.2033349943702258
Energy: 1.2095186024258324
Energy: 1.2272106445234932
Energy: 1.1835523419784455
Energy: 1.1781614308129933
Energy: 1.2331470952692674
Energy: 1.1792133321320482
Energy: 1.168548760041099
Energy: 1.323436645552821
Energy: 1.1625975151502905
Energy: 1.1656145268361384
Energy: 1.466741789136483
Energy: 1.2723028269965735
Energy: 1.1654796928429516
Energy: 1.2573852371670484
Energy: 1.184171355282561
Energy: 1.1790050075354075
Energy: 1.2690667393168393
Energy: 1.2078437025758026
Energy: 1.1687973842664183
Energy: 1.448277521927845
Energy: 1.1846385172080636
Energy: 1.1888841711729181
Energy: 1.4496058037230783
Energy: 1.2052369901768292
Energy: 1.1980449214796423
Energy: 1.3940573653439428
Energy: 1.204192681818041
Energy: 1.2020390213042667
Energy: 1.1725742851436223
Energy: 1.1595116458054475
Energy: 1.1902243373149803
Energy: 1.3335096860160376
Energy: 1.3593324252984786
Energy: 1.179477034151984
Energy: 1.7011328131105596
Energy: 1.4179768458875988
Energy: 1.2089682956293986
Energy: 1.2584762666240095
Energy: 1.1645678678913136
Energy: 1.1824152188076573
Energy: 1.156343015914207
Energy: 1.2354506862567638
Energy: 1.1564970372158934
Energy: 1.4241339492888645
Energy: 1.1913610679431328
Energy: 1.1992173326645514
Energy: 1.4256658531586028
Energy: 1.217721940066399
Energy: 1.19853876527897
Energy: 1.3176326549949566
Energy: 1.186438901841213
Energy: 1.1828227197231893
Energy: 1.3188633591253411
Energy: 1.2095225344704679
Energy: 1.1725042894862459
Energy: 1.2833222769971198
Energy: 1.3059958154437719
Energy: 1.1871474190950804
Energy: 1.254218126263932
Energy: 1.3052229922542007
Energy: 1.1930183850985054
Energy: 1.2274776963350298
Energy: 1.2089365971601533
Energy: 1.2086000874447627
Energy: 1.2105488374295486
Energy: 1.174826175134769
Energy: 1.1873021141530675
Energy: 1.242947107980626
Energy: 1.1905381999347793
Energy: 1.1834837991007374
Energy: 1.2537975296164836
Energy: 1.1717030016322445
Energy: 1.1830349833771798
Energy: 1.261369095025689
Energy: 1.1641552248884852
Energy: 1.178158046191632
Energy: 1.2502308331529255
Energy: 1.1721792731778875
Energy: 1.2115110292776277
Energy: 1.2219704551009016
Energy: 1.22698859227649
Energy: 1.2121043230490975
Energy: 1.2163346497501595
Energy: 1.3608182484232871
Energy: 1.1966505675753543
Energy: 1.2021956990195504
Energy: 1.1791508102566257
Energy: 1.2042128896762752
Energy: 1.2045235854524556
Energy: 1.187075199509249
Energy: 1.198560417151344
Energy: 1.3073589243043062
Energy: 1.1762340082623808
Energy: 1.159128986429205
Energy: 1.2584641919139747
Energy: 1.1909829735071877
Energy: 1.1580728744078337
Energy: 1.3056260957801396
Energy: 1.1815244212249771
Energy: 1.1783697704760332
Energy: 1.3070093554265405
Energy: 1.163967715274358
Energy: 1.180677647995861
Energy: 1.2914351619453592
Energy: 1.1628094317816546
Energy: 1.162994558960945
Energy: 1.2860075354372242
Energy: 1.2748117943393535
Energy: 1.1924151399947538
Energy: 1.2937862390300856
Energy: 1.1657195844655446
Energy: 1.1898664786616413
Energy: 1.2774039875732937
Energy: 1.2500918303765862
Energy: 1.1613990109549905
Energy: 1.2958996601915747
Energy: 1.1862036650644991
Energy: 1.1915654227460313
Energy: 1.1917208262697692
Energy: 1.1976825279895777
Energy: 1.182846435839189
Energy: 1.4601594156277489
Energy: 1.2089615028581988
Energy: 1.1975908036606677
Energy: 1.3542970803122072
Energy: 1.2099110942909088
Energy: 1.2058942840843068
Energy: 1.3340207875265848
Energy: 1.3683100668470025
Energy: 1.1881033588064598
Energy: 1.324517908088803
Energy: 1.4174086843807878
Energy: 1.1840159059683344

minimum gb energy = 1.151077585553321 eV
minimum distance =  2.26203052318664 Angstroms
sigma value = 33


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

Energy: 0.018584985597441993
Energy: 1.473855530152237
Energy: 0.019426430690714484
Energy: 0.020811534225729962
Energy: 1.6908586003631962
Energy: 0.019184484490658585
Energy: 0.5033338293230996
Energy: 0.1365524099908268
Energy: 0.13473122852428102
Energy: 0.13835259177822815
Energy: 0.13654782719294256
Energy: 0.13508697240530776
Energy: 1.6885500450339723
Energy: 1.3191628997151468
Energy: 1.318125973362793
Energy: 1.322768101403148
Energy: 1.3216035208633512
Energy: 1.3178547287317566
Energy: 0.01942199555973076
Energy: 0.1365524099908268
Energy: 0.13473122852428102
Energy: 0.13835259177867254
Energy: 0.13654782719422653
Energy: 0.13508697240570283

minimum gb energy = 0.018584985597441993 eV
minimum distance =  2.51966195059074 Angstroms
sigma value = 1