Model name: model_name=Sim_LAMMPS_ADP_StarikovSmirnovaPradhan_2021_Fe__SM_906654900816_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.522514119744301
cohesive_energy=4.283954346198121
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.01745240881325417
Energy: 0.01781157701107247
Energy: 3.6198566456449948
Energy: 0.017811577010448585
Energy: 0.017811577010448585
Energy: 1.4452985596938115
Energy: 0.017811577010448585
Energy: 1.4452985596938115
Energy: 3.619856644821833
Energy: 0.01781157701107247
Energy: 0.01745240881325417
Energy: 0.01781157701107247
Energy: 0.01781157701107247
Energy: 1.4452985596938115
Energy: 0.017811577010448585
Energy: 1.4452985596938115

minimum gb energy = 0.01745240881325417 eV
minimum distance =  2.39231421331306 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.9797852886251888
Energy: 0.9659439234256993
Energy: 0.9796857104127239
Energy: 0.9659439234256993
Energy: 1.0510522288321957
Energy: 1.0020921169563262
Energy: 1.0353384442466325
Energy: 1.002092116961133
Energy: 1.0143510501083624
Energy: 1.0257418508413565
Energy: 1.033159179214992
Energy: 1.0257418508429588
Energy: 1.071523231370502
Energy: 0.9589192930252606
Energy: 1.0048758616262028
Energy: 0.9589192930252606
Energy: 1.0708534795470945
Energy: 0.9639149517163672
Energy: 1.0984682838437843
Energy: 0.9639149517171683
Energy: 0.9904062960830925
Energy: 1.2391406712941884
Energy: 0.9926706412636741
Energy: 1.2391406712941884
Energy: 1.0499261627914263
Energy: 1.0068847718260479
Energy: 0.9923576503937429
Energy: 1.0068847718420706
Energy: 0.9462368700361125
Energy: 0.9647643209659574
Energy: 0.9850310016387153
Energy: 0.9647643209651564
Energy: 1.0049148478540997
Energy: 1.299771755050236
Energy: 1.0547115826231233
Energy: 1.299771755051037
Energy: 0.9920406603223076
Energy: 1.007462375172216
Energy: 0.9288364644878943
Energy: 1.0074623751738185
Energy: 1.0646518396069076
Energy: 1.0485948325546754
Energy: 1.0052523638077167
Energy: 1.0485948325538743
Energy: 0.9831938707492697
Energy: 0.9661492975842983
Energy: 0.9692952356683998
Energy: 0.9661492975859007
Energy: 1.0338299950029182
Energy: 1.006359215390885
Energy: 1.051058191660019
Energy: 1.006359215391686
Energy: 1.0297996357096086
Energy: 1.0091999252437953
Energy: 1.0197731559128915
Energy: 1.009199925242994
Energy: 1.0978744908657312
Energy: 0.9631759077914724
Energy: 1.0343686289513865
Energy: 0.9631759077922736
Energy: 1.0939286354616236
Energy: 0.9615936351123294
Energy: 1.0380562051695863
Energy: 0.961593635110727
Energy: 1.0326767071554264
Energy: 1.0069994023845763
Energy: 0.9876864191253613
Energy: 1.0069994023845763
Energy: 1.0369656436898096
Energy: 1.0045393294732805
Energy: 1.0495737784323884
Energy: 1.0045393294732805
Energy: 0.9513538057714573
Energy: 0.9651494366837469
Energy: 0.9711305156520548
Energy: 0.9651494366821446
Energy: 1.034275546056057
Energy: 1.025675746593898
Energy: 1.007545586538945
Energy: 1.0256757465794775
Energy: 0.9919008514682546
Energy: 1.0072377830337385
Energy: 0.9649014361778925
Energy: 1.0072377830345396
Energy: 1.0046436765059112
Energy: 1.1951072808781649
Energy: 1.0903790666798965
Energy: 1.1951072808765626
Energy: 1.0927479982022321
Energy: 0.9644950009238417
Energy: 1.010999241760933
Energy: 0.9644950009238417
Energy: 1.0509575236523934
Energy: 1.006795531566833
Energy: 0.9896776940387368
Energy: 1.006795531566833
Energy: 0.9915380258923183
Energy: 1.2407818026882544
Energy: 1.0487155027099553
Energy: 1.2407818026898567
Energy: 1.0721487152261435
Energy: 0.9647899129596867
Energy: 1.0095483803865117
Energy: 0.9647899129588856
Energy: 1.0634989793737555
Energy: 1.0067350558839192
Energy: 1.0049675575236254
Energy: 1.0067350558823167
Energy: 0.9990263754750563
Energy: 1.0072465746315509
Energy: 1.0393161842179786
Energy: 1.007246574632352
Energy: 1.0516921002678523
Energy: 1.0230062274641865
Energy: 1.0916304871862856
Energy: 1.0230062274738
Energy: 0.9935196832984736
Energy: 0.9659131707571542
Energy: 0.982916406072455
Energy: 0.9659131707571542
Energy: 1.009176967173768
Energy: 1.0040961033711615
Energy: 1.0324269405380135
Energy: 1.0040961033711615
Energy: 1.0557771726305134
Energy: 1.0069656083289389
Energy: 1.0305388725857871
Energy: 1.0069656083281378
Energy: 1.0703541548071083
Energy: 0.9601808646827077
Energy: 1.0044885086955482
Energy: 0.9601808646827077

minimum gb energy = 0.9288364644878943 eV
minimum distance =  2.26170852353752 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.1674784623313534
Energy: 1.0688195107070066
Energy: 1.0501393569062176
Energy: 1.068819510706093
Energy: 1.110503876995772
Energy: 1.1191873139870536
Energy: 1.1373878485767501
Energy: 1.1191873140080628
Energy: 1.0766612546849936
Energy: 1.0559969939391967
Energy: 1.1013188574720896
Energy: 1.0559969939446774
Energy: 1.0746360612367156
Energy: 1.123343076814241
Energy: 1.0681489833277098
Energy: 1.1233430767923598
Energy: 1.0761897596286585
Energy: 1.104681211760036
Energy: 1.0603009354567214
Energy: 1.1046812123078555
Energy: 1.0656896340643331
Energy: 1.109090521942587
Energy: 1.0585999571029179
Energy: 1.1090905219581155
Energy: 1.1053759254981876
Energy: 1.0775390390034845
Energy: 1.103944998153765
Energy: 1.0775390389788628
Energy: 1.0136833615743706
Energy: 1.0664544118623696
Energy: 1.065447512809839
Energy: 1.066454411861456
Energy: 1.0757131254390582
Energy: 1.0775197950419395
Energy: 1.1215251203408854
Energy: 1.0775197736019106
Energy: 1.0660636446792464
Energy: 1.0668959724127827
Energy: 1.0122130366627653
Energy: 1.0668959724127827
Energy: 1.1079554221859464
Energy: 1.108546029925079
Energy: 1.1396852182319508
Energy: 1.1085460299223384
Energy: 1.0506078325589312
Energy: 1.088302639279764
Energy: 1.101379287741486
Energy: 1.0883026392733697
Energy: 1.0908822339500255
Energy: 1.1062387697536709
Energy: 1.091025402685707
Energy: 1.1062387697545844
Energy: 1.0934324412821532
Energy: 1.1075727333392522
Energy: 1.096079416295431
Energy: 1.1075727333383385
Energy: 1.050682674083721
Energy: 1.0884504995794386
Energy: 1.1193523140403479
Energy: 1.0884504995794386
Energy: 1.1079150253348513
Energy: 1.1090367544740718
Energy: 1.139750434161497
Energy: 1.1090367544740718
Energy: 1.0637603839702052
Energy: 1.0671228611964605
Energy: 1.032627432123633
Energy: 1.0671228611973742
Energy: 1.0748026064023881
Energy: 1.0905054870263677
Energy: 1.1213776671530127
Energy: 1.0905054870436819
Energy: 1.0136857306804237
Energy: 1.0660398766782295
Energy: 1.0574867648269919
Energy: 1.0660398766782295
Energy: 1.1053640534038678
Energy: 1.0780027959662963
Energy: 1.05157672773269
Energy: 1.0780027959690366
Energy: 1.065222591744034
Energy: 1.1092187296146008
Energy: 1.0578095419121998
Energy: 1.109218729629216
Energy: 1.0747263370997764
Energy: 1.1081414094199136
Energy: 1.0512558745912808
Energy: 1.1081414094052982
Energy: 1.0726779579527062
Energy: 1.1224253860123563
Energy: 1.0998443511327776
Energy: 1.1224253860123563
Energy: 1.0768092048389815
Energy: 1.0664711279392285
Energy: 1.113839118407039
Energy: 1.0664711279374015
Energy: 1.1102730215434133
Energy: 1.1190708986332398
Energy: 1.1374929397455447
Energy: 1.1190708986332398
Energy: 1.1674784623322672
Energy: 1.0688195107070066
Energy: 1.08930438068469
Energy: 1.0688195107051797
Energy: 1.1105038770195215
Energy: 1.1191873140071495
Energy: 1.1373878485776634
Energy: 1.1191873139861404
Energy: 1.0766612546886476
Energy: 1.0559969939492446
Energy: 1.0724890288936901
Energy: 1.0559969939619915
Energy: 1.0746360612321897
Energy: 1.123343076788706
Energy: 1.050405509698819
Energy: 1.1233430767896193

minimum gb energy = 1.0122130366627653 eV
minimum distance =  2.2567253733603 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.089056400295156
Energy: 1.2096059825808927
Energy: 1.0965914789280264
Energy: 1.2096059825883259
Energy: 1.1007885578268009
Energy: 1.2393835504583504
Energy: 1.1160305084426967
Energy: 1.2393835504583504
Energy: 1.1232624847712058
Energy: 1.1668280361357948
Energy: 1.1134826166508995
Energy: 1.166828035531837
Energy: 1.135743872513838
Energy: 1.2205398284288733
Energy: 1.1243758177567014
Energy: 1.2205398284299354
Energy: 1.1240757718960566
Energy: 1.216917165396974
Energy: 1.135032771263668
Energy: 1.216917165396974
Energy: 1.1271233353993995
Energy: 1.1746357915746288
Energy: 1.1077177663259374
Energy: 1.174635791573567
Energy: 1.1135335587006594
Energy: 1.1205365471660322
Energy: 1.0915792256718955
Energy: 1.1205365471660322
Energy: 1.1340214281056358
Energy: 1.2190748122901005
Energy: 1.1118345588538099
Energy: 1.2190748122901005
Energy: 1.0910188004178591
Energy: 1.2021483897045926
Energy: 1.1179529329555982
Energy: 1.2021483897056544
Energy: 1.1169596185892183
Energy: 1.177610512864631
Energy: 1.1249555978855672
Energy: 1.177610512864631
Energy: 1.186034217776738
Energy: 1.204521096036169
Energy: 1.1451840577996384
Energy: 1.204521096036169
Energy: 1.1272522874257889
Energy: 1.2167664976998664
Energy: 1.1733517594008687
Energy: 1.2167664976998664
Energy: 1.1158856087449864
Energy: 1.2145243986415106
Energy: 1.125421993693945
Energy: 1.2145243986415106
Energy: 1.0974883554894328
Energy: 1.2346777458096847
Energy: 1.1217556905587116
Energy: 1.234677745808623
Energy: 1.1131626419629443
Energy: 1.2193756294691795
Energy: 1.108758471994749
Energy: 1.2193756294702411
Energy: 1.1180823488720069
Energy: 1.123057078376029
Energy: 1.1220555031332884
Energy: 1.123057078376029
Energy: 1.100942388057519
Energy: 1.1286050468508801
Energy: 1.0962066238616441
Energy: 1.1286050467181958
Energy: 1.1233566968860766
Energy: 1.216594148723172
Energy: 1.1363324648882644
Energy: 1.2165941487242338
Energy: 1.1329054376181265
Energy: 1.2200437338030166
Energy: 1.1262829061466888
Energy: 1.220043733800941
Energy: 1.1023720215555313
Energy: 1.1364385398184853
Energy: 1.1256471324839037
Energy: 1.1364385320501489
Energy: 1.1058601739324703
Energy: 1.2390815935280046
Energy: 1.1240562273843706
Energy: 1.2390815935280046
Energy: 1.0848927324564506
Energy: 1.2189932305590983
Energy: 1.1445053433605517
Energy: 1.2189932305590983
Energy: 1.1203860260394836
Energy: 1.1800187826821926
Energy: 1.1164344791192229
Energy: 1.1800187826811306
Energy: 1.1515407773103994
Energy: 1.1505957705883607
Energy: 1.1167229151550166
Energy: 1.150595771901304
Energy: 1.123477712656876
Energy: 1.1751878741368027
Energy: 1.11842070057544
Energy: 1.1751878741378645

minimum gb energy = 1.0848927324564506 eV
minimum distance =  2.183834702433 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.1587931432583256
Energy: 1.3930831291388381
Energy: 1.2112677133285554
Energy: 1.3930831291388381
Energy: 1.1646451341605184
Energy: 1.273825893249183
Energy: 1.1239765023152233
Energy: 1.273825893249183
Energy: 1.1449857102863874
Energy: 1.3773594581090036
Energy: 1.1883036967369456
Energy: 1.3773596057333388
Energy: 1.1434331835835578
Energy: 1.4710948712299885
Energy: 1.150189180498646
Energy: 1.4710948712299885
Energy: 1.1333368189172157
Energy: 1.273429141045298
Energy: 1.1490408108544308
Energy: 1.2734291410440315
Energy: 1.1497095469002563
Energy: 1.3544232441466677
Energy: 1.1529679527505319
Energy: 1.3544233559132988
Energy: 1.167800950580724
Energy: 1.1643323810817943
Energy: 1.1679171404909536
Energy: 1.164332381083061
Energy: 1.1425535094602692
Energy: 1.3784964420029058
Energy: 1.157144486306437
Energy: 1.3784964420029058
Energy: 1.153899835496489
Energy: 1.2694925142583815
Energy: 1.1656013531179723
Energy: 1.2694925144153977
Energy: 1.1730126952507944
Energy: 1.357183440433536
Energy: 1.118513558752533
Energy: 1.3571834404398693
Energy: 1.1486773894708913
Energy: 1.3809263485330165
Energy: 1.1863036470672201
Energy: 1.3809263485330165
Energy: 1.1271022993396753
Energy: 1.2757119753798367
Energy: 1.1542839417438713
Energy: 1.275711975377303
Energy: 1.148421203190209
Energy: 1.3759188858250084
Energy: 1.1280727297837554
Energy: 1.3759188859984923
Energy: 0.7281879728960036
Energy: 1.1725736059241538
Energy: 1.1337988645232444
Energy: 1.1725736059241538
Energy: 1.148087464628695
Energy: 1.3813935807145672
Energy: 1.1229901143184073
Energy: 1.3813935806981288
Energy: 1.157201570250496
Energy: 1.3850421455273472
Energy: 1.154562716654104
Energy: 1.3850421532597763
Energy: 1.1482607586698428
Energy: 1.3804267364521563
Energy: 1.1866872425500536
Energy: 1.3804267364521563
Energy: 1.1493931176454535
Energy: 1.3668065481254013
Energy: 1.155221100077645
Energy: 1.3668065481266678
Energy: 1.1647545787309053
Energy: 1.260346608346054
Energy: 1.1709369401426775
Energy: 1.2603466082257728
Energy: 1.161602498255424
Energy: 1.377833712944213
Energy: 1.157413536176081
Energy: 1.3778337129454798
Energy: 1.1738380383349742
Energy: 1.167900358312332
Energy: 1.1679083929866256
Energy: 1.1679003583135985

minimum gb energy = 0.7281879728960036 eV
minimum distance =  2.2253896632586 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.2548559632869167
Energy: 1.5284913991346891
Energy: 1.245394953863355
Energy: 1.5284913991346891
Energy: 1.2308135198389007
Energy: 1.2561701139431145
Energy: 1.1939059857863157
Energy: 1.2561701139431145
Energy: 1.2095470066816394
Energy: 1.3880832743074578
Energy: 1.1830601908451306
Energy: 1.3880832743325224
Energy: 1.2498266295234903
Energy: 1.2343952015990034
Energy: 1.2190764208449676
Energy: 1.2343952015990034
Energy: 1.198044537896335
Energy: 1.2261403845588006
Energy: 1.237235276617627
Energy: 1.226140384557234
Energy: 1.2316102423085928
Energy: 1.5624562471483223
Energy: 1.2069389210332244
Energy: 1.5624562471467554
Energy: 1.215861047372183
Energy: 1.236429039556913
Energy: 1.1833668518708305
Energy: 1.236429039556913
Energy: 1.2178254139164477
Energy: 1.548510753338749
Energy: 1.2460606465987187
Energy: 1.548510753338749
Energy: 1.1827594784390678
Energy: 1.3863346066813083
Energy: 1.2294992033549974
Energy: 1.3863346066797417
Energy: 1.2491048397168258
Energy: 1.2631708413396927
Energy: 1.2078955081433838
Energy: 1.2631708413412592
Energy: 1.173621321188066
Energy: 1.2332202951576985
Energy: 1.2234837870836361
Energy: 1.2332202951592648
Energy: 1.193428592515284
Energy: 1.2487124960568512
Energy: 1.2499598023312861
Energy: 1.2487124960568512
Energy: 1.1963550248122448
Energy: 1.367568772106213
Energy: 1.227482894699137
Energy: 1.367568769433323
Energy: 1.1931142035551978
Energy: 1.230776729473279
Energy: 1.2526411928375254
Energy: 1.230776729473279
Energy: 1.2368165503113673
Energy: 1.2321235763433764
Energy: 1.2128888878865214
Energy: 1.2321235763340126
Energy: 1.2315023247340782
Energy: 1.424860015069322
Energy: 1.2301588975076814
Energy: 1.4248600150708883
Energy: 1.1831876429215058
Energy: 1.2729272437430756
Energy: 1.220090944910333
Energy: 1.272927243735243

minimum gb energy = 1.173621321188066 eV
minimum distance =  2.2180459801583 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.2493856188289891
Energy: 1.25110593323848
Energy: 1.3705243783914076
Energy: 1.2511059332375927
Energy: 1.2915659077986805
Energy: 1.293049341482188
Energy: 1.2061456807412583
Energy: 1.293049341482188
Energy: 1.2684589325511748
Energy: 1.2861921202755406
Energy: 1.2078499936755906
Energy: 1.286192120281711
Energy: 1.2474878552849107
Energy: 1.3045111595478658
Energy: 1.2590526783818092
Energy: 1.304511159548753
Energy: 1.3191161096436126
Energy: 1.4771867260326035
Energy: 1.207102825631004
Energy: 1.4771867260317164
Energy: 1.2984930917436146
Energy: 1.238068096532105
Energy: 1.2518790985623978
Energy: 1.238068096532105
Energy: 1.2118877396707057
Energy: 1.2647025203971172
Energy: 1.206974593334728
Energy: 1.2647025203971172
Energy: 1.2518444858237443
Energy: 1.3129827624658774
Energy: 1.2401494811330545
Energy: 1.31298276249693
Energy: 1.2722611970178312
Energy: 1.4301535676523627
Energy: 1.2812423524132748
Energy: 1.4301535676514756
Energy: 1.3187073765079702
Energy: 1.2840440267363415
Energy: 1.2086359419027823
Energy: 1.2840440267372288
Energy: 1.2454909616444925
Energy: 1.2372667034028135
Energy: 1.268762100682217
Energy: 1.2372667034037006
Energy: 1.2414095702075103
Energy: 1.2633276182110618
Energy: 1.2415653042678279
Energy: 1.2633276182101745
Energy: 1.2657681882447125
Energy: 1.2365014103816285
Energy: 1.2371973849170659
Energy: 1.2365014103816285
Energy: 1.2084677251511358
Energy: 1.4615152759818062
Energy: 1.2834972010788208
Energy: 1.461515275984468
Energy: 1.2897843514054361
Energy: 1.26517159545475
Energy: 1.2737195367530103
Energy: 1.26517159545475
Energy: 1.2584166930101974
Energy: 1.3137638226515593
Energy: 1.2601993816993702
Energy: 1.3137638226595443
Energy: 1.206966730823866
Energy: 1.2508881949275694
Energy: 1.3636455290915692
Energy: 1.2508881949275694
Energy: 1.2745447948730164
Energy: 1.206190698128474
Energy: 1.2984723980653397
Energy: 1.206190698128474
Energy: 1.2229835203720856
Energy: 1.2669865150923383
Energy: 1.3112854953747772
Energy: 1.2669865150914512
Energy: 1.2068634041569068
Energy: 1.3047248010453483
Energy: 1.2480926028667099
Energy: 1.3047248010453483
Energy: 1.2252558161547282
Energy: 1.2055907207948025
Energy: 1.275816144221039
Energy: 1.2055907207965766
Energy: 1.2061679723174976
Energy: 1.3288753258559929
Energy: 1.3186876911780485
Energy: 1.3288753258586545
Energy: 1.3329686936482774
Energy: 1.2375683711883838
Energy: 1.2752359938769382
Energy: 1.2375683711883838
Energy: 1.2369647563879835
Energy: 1.263257163753154
Energy: 1.2685051341432345
Energy: 1.2632571637549286
Energy: 1.2374775226704349
Energy: 1.2759657555152308
Energy: 1.2698149905749212
Energy: 1.2759657555152308
Energy: 1.2543738032581124
Energy: 1.2375217598929866
Energy: 1.2766142401503304
Energy: 1.2375217598938735
Energy: 1.207102387619296
Energy: 1.322687591029173
Energy: 1.3564565059047045
Energy: 1.3226875910300604
Energy: 1.2378670949959336
Energy: 1.2375571365115643
Energy: 1.2772217030658737
Energy: 1.2375571365115643
Energy: 1.3216707578664306
Energy: 1.3049769442216381
Energy: 1.2110817394735174
Energy: 1.3049769442216381
Energy: 1.239783512400093
Energy: 1.266159551740933
Energy: 1.2869811604902273
Energy: 1.266159551740933

minimum gb energy = 1.2055907207948025 eV
minimum distance =  2.20896865563919 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.3043184094254578
Energy: 1.3031400875924992
Energy: 1.293706167441864
Energy: 1.3031400875924992
Energy: 1.379148981558238
Energy: 1.3022995196385108
Energy: 1.2439236201223094
Energy: 1.3022995196385108
Energy: 1.2547519766272692
Energy: 1.0771226251389383
Energy: 1.1706586449022607
Energy: 1.0771226251389383
Energy: 1.2545094141764785
Energy: 1.0771069385759144
Energy: 1.1708073194480904
Energy: 1.0771069385697867
Energy: 1.349012825887675
Energy: 1.1687571023376493
Energy: 1.261311622074006
Energy: 1.1687571023376493
Energy: 1.0532500078354752
Energy: 1.0777018756783234
Energy: 1.4391006184869166
Energy: 1.0777018756783234
Energy: 1.3082636110664383
Energy: 1.3022995196385108
Energy: 1.2439236201243515
Energy: 1.3022995196385108
Energy: 1.2547519766272692
Energy: 1.0771226251389383
Energy: 1.2437397319080723
Energy: 1.0771226251409807
Energy: 1.2545094141764785
Energy: 1.0771069385718293
Energy: 1.1708585121136235
Energy: 1.0771069385738716
Energy: 1.3490128258550411
Energy: 1.2697154018458485
Energy: 1.204556970358317
Energy: 1.269715401847891
Energy: 1.3043184094254578
Energy: 1.3031400875904566
Energy: 1.3605198679900425
Energy: 1.3031400875924992
Energy: 1.379148981558238
Energy: 1.3022995196385108
Energy: 1.2439236201243515
Energy: 1.3022995196385108
Energy: 1.2547519766272692
Energy: 1.0771226251389383
Energy: 1.261619402287695
Energy: 1.0771226251409807

minimum gb energy = 1.0532500078354752 eV
minimum distance =  2.26647214555247 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.0841882030708245
Energy: 1.3286938171751983
Energy: 1.408410102260328
Energy: 1.3286938171736862
Energy: 1.4083069064590075
Energy: 1.2899332994038657
Energy: 1.2452887579946865
Energy: 1.2899332994023538
Energy: 1.2442633658142728
Energy: 1.4019109944900787
Energy: 1.233924232818713
Energy: 1.4019109944885668
Energy: 1.2661031073304034
Energy: 1.346757222685222
Energy: 1.2453019426667402
Energy: 1.346757222684466
Energy: 1.3269488026619654
Energy: 1.350695520480242
Energy: 1.2249756295453293
Energy: 1.3506955204809978
Energy: 1.360651401064549
Energy: 1.3607317662089637
Energy: 1.2602354832960305
Energy: 1.3607317662089637
Energy: 1.3715961323481827
Energy: 1.3398357402283458
Energy: 1.2439351900556623
Energy: 1.3398357402283458
Energy: 1.2571142307796703
Energy: 1.3303284291009747
Energy: 1.347173581774684
Energy: 1.3303284291024868
Energy: 1.2331093319375754
Energy: 1.3789649763826153
Energy: 1.2473814538919994
Energy: 1.3789649763826153
Energy: 1.2332420873110261
Energy: 1.3382873504967394
Energy: 1.2444648437000687
Energy: 1.3382873504967394
Energy: 1.2641694147426943
Energy: 1.3491861728794914
Energy: 1.3028379363537808
Energy: 1.3491861728779793
Energy: 1.3741014813427919
Energy: 1.5349734519832854
Energy: 1.21945031520742
Energy: 1.5349734519832854
Energy: 1.232254757403228
Energy: 1.3520533579219731
Energy: 1.3267870093396057
Energy: 1.352053357921217
Energy: 1.2708474218661951
Energy: 1.4786600822999107
Energy: 1.3344116779530777
Energy: 1.4786600822999107
Energy: 1.2571670660045464
Energy: 1.3355317857937106
Energy: 1.2935586311055727
Energy: 1.3355317857937106
Energy: 1.219303125696094
Energy: 1.3830290078617784
Energy: 1.2549830124862298
Energy: 1.3830290078617784
Energy: 1.2738033878238422
Energy: 1.3357746328708862
Energy: 1.2562776569307474
Energy: 1.335774632871642
Energy: 1.2444756205524032
Energy: 1.2836675733707645
Energy: 1.3967841219154056
Energy: 1.2836675733700085
Energy: 1.4030291733469398
Energy: 1.2850159071268892
Energy: 1.3086111808812193
Energy: 1.2850159071253773
Energy: 1.2192816433878737
Energy: 1.3152072773914265
Energy: 1.3086269548410046
Energy: 1.3152072773899146
Energy: 1.280200145723016
Energy: 1.349174734274681
Energy: 1.2679423607346054
Energy: 1.3491747342761928
Energy: 1.31106264325311
Energy: 1.377575757069367
Energy: 1.233378493375513
Energy: 1.3775757570686111
Energy: 1.2467903503597
Energy: 1.3355516021150173
Energy: 1.2410849914350635
Energy: 1.3355516021157736
Energy: 1.411900244683134
Energy: 1.5165308772817632
Energy: 1.2646078728909849
Energy: 1.516530877282519
Energy: 1.2442910208341522
Energy: 1.497258430048106
Energy: 1.468957394653842
Energy: 1.4972584300473502
Energy: 1.2427563722180837
Energy: 1.3080072440180952
Energy: 1.2435639212330212
Energy: 1.3080072440173391
Energy: 1.3102876465886646
Energy: 1.3351382231757727
Energy: 1.2657886139828034
Energy: 1.335138223170481
Energy: 1.2784328330191126
Energy: 1.3467051024717203
Energy: 1.2664757663658899
Energy: 1.3467051024709642
Energy: 1.256473391253639
Energy: 1.3607666581482676
Energy: 1.242658399251314
Energy: 1.3607666581482676
Energy: 1.2452455774724942
Energy: 1.497843436486832
Energy: 1.4845185220198736
Energy: 1.4978434364875879
Energy: 1.4587714812587396
Energy: 1.646241188562122
Energy: 1.2640760268588904
Energy: 1.6462411885606099
Energy: 1.245200739704655
Energy: 1.3383205404353895
Energy: 1.2370834442985252
Energy: 1.3383205404346334
Energy: 1.2447460365174132
Energy: 1.3786841000190235
Energy: 1.2345439772750735
Energy: 1.3786841000197796
Energy: 1.2844780064808137
Energy: 1.3455315508580656
Energy: 1.2657362180796279
Energy: 1.3455315508573098
Energy: 1.2331790021841842
Energy: 1.3666351365250282
Energy: 1.3711001188779266
Energy: 1.3666351365220042

minimum gb energy = 1.0841882030708245 eV
minimum distance =  2.21927195532372 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.3824875394349718
Energy: 1.38301952974865
Energy: 1.203003915227028
Energy: 1.38301952974865
Energy: 1.4093339520739634
Energy: 1.3974136230909675
Energy: 1.2543081668552463
Energy: 1.3974136230909675
Energy: 1.2334728049220942
Energy: 1.5059568939712804
Energy: 1.2438577487761835
Energy: 1.5059568939712804
Energy: 1.1705423031302424
Energy: 1.4075547511723465
Energy: 1.2823122468520851
Energy: 1.4075547511723465
Energy: 1.2197769279917385
Energy: 1.3630276254083484
Energy: 1.2424585101405634
Energy: 1.3630276254083484
Energy: 1.2829016456442501
Energy: 1.3657064143919286
Energy: 1.2165858283936686
Energy: 1.3657064144026962
Energy: 1.4152712560317673
Energy: 1.348532660781578
Energy: 1.2429792446988521
Energy: 1.348532660781578
Energy: 1.2216341988301078
Energy: 1.363476075247828
Energy: 1.373754481742867
Energy: 1.3634760752466286
Energy: 1.2695361929414928
Energy: 1.2532218782893632
Energy: 1.3157559691712224
Energy: 1.2532218782893632
Energy: 1.2406791213408463
Energy: 1.290154249095047
Energy: 1.240908198958706
Energy: 1.290154249095047
Energy: 1.2036755775161887
Energy: 1.2517798578843375
Energy: 1.268250903775253
Energy: 1.2517798578843375
Energy: 1.3137989267936605
Energy: 1.4080406019556546
Energy: 1.1720935447403067
Energy: 1.4080406019556546
Energy: 1.2942774457566668
Energy: 1.2822239302706562
Energy: 1.3689422633315564
Energy: 1.2822239302706562
Energy: 1.2843705278404636
Energy: 1.3455708947625942
Energy: 1.2826905184074098
Energy: 1.345570894761395
Energy: 1.1868797176308084
Energy: 1.4170851049405806
Energy: 1.4167424826221329
Energy: 1.4170851049405806
Energy: 1.2686901471557195
Energy: 1.419895292331482
Energy: 1.2218509005770972
Energy: 1.419895292331482
Energy: 1.3181512152904666
Energy: 1.563287431491162
Energy: 1.2341449327686094
Energy: 1.563287431491162
Energy: 1.3221448051139117
Energy: 1.3640093572287697
Energy: 1.234311415857518
Energy: 1.3640093572287697
Energy: 1.2411901957909743
Energy: 1.3639910767482486
Energy: 1.219387189031143
Energy: 1.3639910767482486
Energy: 1.2541136810720805
Energy: 1.555536036679852
Energy: 1.4952656859861801
Energy: 1.555536036679852
Energy: 1.3154659460461795
Energy: 1.5048101251702704
Energy: 1.2799204720414694
Energy: 1.5048101251702704
Energy: 1.2816351295072343
Energy: 1.3889829687458746
Energy: 1.27261519306398
Energy: 1.3889829687458746

minimum gb energy = 1.1705423031302424 eV
minimum distance =  2.22351105190261 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 1.3939829241914685
Energy: 1.3944757869874937
Energy: 1.2718665918557706
Energy: 1.3944757869874937
Energy: 1.393429243539809
Energy: 1.3358754089972278
Energy: 1.2650422281158575
Energy: 1.3358754089972278
Energy: 1.2545181715856273
Energy: 1.4028495604291285
Energy: 1.2083163708028852
Energy: 1.4028495604291285
Energy: 1.167924972616625
Energy: 1.3153566892875261
Energy: 1.2653861898100132
Energy: 1.3153566892875261
Energy: 1.2472876627567835
Energy: 1.3706677834346452
Energy: 1.2197619988689095
Energy: 1.3706677834354934
Energy: 1.2553020407333921
Energy: 1.233243899326672
Energy: 1.2559700459745107
Energy: 1.233243899325824
Energy: 1.4439081746547247
Energy: 1.3155686753459876
Energy: 1.2007152175026938
Energy: 1.3155686753468359
Energy: 1.2451420045943788
Energy: 1.3187772045853747
Energy: 1.425419372940242
Energy: 1.3187772045853747
Energy: 1.2763206091402886
Energy: 1.260022351986783
Energy: 1.2877965676032788
Energy: 1.260022351986783
Energy: 1.2453255236028344
Energy: 1.369268006612259
Energy: 1.3031390497144804
Energy: 1.369268006612259
Energy: 1.1859029142674176
Energy: 1.3333453461235503
Energy: 1.1956643212841904
Energy: 1.3333453461235503
Energy: 1.2355774868122218
Energy: 1.3704655747160879
Energy: 1.193804937545575
Energy: 1.3704655747152397
Energy: 1.2387100838447545
Energy: 1.3321902273175645
Energy: 1.1973043976193185
Energy: 1.3321902273184127
Energy: 1.2096009455488177
Energy: 1.2908485910939405
Energy: 1.1926834155495427
Energy: 1.2908485910930925
Energy: 1.2297724285333338
Energy: 1.3950532790528054
Energy: 1.4438700825231408
Energy: 1.3950532790528054
Energy: 1.500961554040102
Energy: 1.377771773633644
Energy: 1.283929792407237
Energy: 1.377771773634492
Energy: 1.229618133930184
Energy: 1.302233072995626
Energy: 1.255320391396769
Energy: 1.3022330729964742
Energy: 1.231945504696441
Energy: 1.4190708849320561
Energy: 1.193278210610352
Energy: 1.4190708849329043
Energy: 1.2300887295518188
Energy: 1.3334809208557823
Energy: 1.1960710165569302
Energy: 1.3334809208566303
Energy: 1.2326923773895473
Energy: 1.3100159961471163
Energy: 1.1940288014968772
Energy: 1.3100159961471163
Energy: 1.179332679177748
Energy: 1.3334130690051975
Energy: 1.2878663942713775
Energy: 1.3334130690043493
Energy: 1.245297629049769
Energy: 1.3374428376442387
Energy: 1.392353701726398
Energy: 1.3374428376442387
Energy: 1.3363688186554197
Energy: 1.2622830938808467
Energy: 1.247825719004052
Energy: 1.262283093881695
Energy: 1.3265954878476405
Energy: 1.23463159978176
Energy: 1.2583954910692452
Energy: 1.23463159978176
Energy: 1.2796488608791081
Energy: 1.3105030877125776
Energy: 1.2480751336857172
Energy: 1.3105030877125776
Energy: 1.1673479679544967
Energy: 1.3377591208042385
Energy: 1.216251665967466
Energy: 1.3377591208042385
Energy: 1.2530394494778219
Energy: 1.3706869573299516
Energy: 1.231805024508444
Energy: 1.3706869573299516
Energy: 1.1684247913651866
Energy: 1.3014890547677562
Energy: 1.2649817100632466
Energy: 1.3014890547677562
Energy: 1.254548991596427
Energy: 1.3945240675242314
Energy: 1.2452348440907655
Energy: 1.3945240675242314
Energy: 1.5075174930609596
Energy: 1.3277171583655134
Energy: 1.2650148066118239
Energy: 1.3277171583655134
Energy: 1.2545594361956927
Energy: 1.3944756715094042
Energy: 1.4558206344545397
Energy: 1.3944756715102524

minimum gb energy = 1.1673479679544967 eV
minimum distance =  2.26337765115533 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.226430906979297
Energy: 1.093274199185129
Energy: 1.077152897442358
Energy: 1.0932741991848334
Energy: 1.1355366106677904
Energy: 1.0595330980907633
Energy: 1.2282822565454625
Energy: 1.059533096538581
Energy: 1.0718352238916913
Energy: 1.0454142878244148
Energy: 1.136559114680816
Energy: 1.0454142878229704
Energy: 1.2282510051356055
Energy: 1.1886513543647736
Energy: 1.228238692746202
Energy: 1.1886513536712526
Energy: 1.2266909179334067
Energy: 1.214267896355251
Energy: 1.113411533904216
Energy: 1.214267896355251
Energy: 1.0772002983910038
Energy: 1.2961981631197999
Energy: 1.073408200101599
Energy: 1.2961981631197999
Energy: 1.1140809027684493
Energy: 1.2140087090865395
Energy: 1.2266831261165319
Energy: 1.2140087090862768
Energy: 1.227444025954277
Energy: 1.1875967790968205
Energy: 1.2274540017543394
Energy: 1.1875967790847082
Energy: 1.1364457959203638
Energy: 1.0361352230327623
Energy: 1.1078504817706998
Energy: 1.0361352229966552

minimum gb energy = 1.0361352229966552 eV
minimum distance =  2.24286614265979 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.2228373689758842
Energy: 1.2216368949689087
Energy: 1.2333807577422737
Energy: 1.2216368949713121
Energy: 1.3625446169337878
Energy: 1.4993054569897784
Energy: 1.1056366615742503
Energy: 1.4993054569921815
Energy: 1.1160277326272263
Energy: 1.1789015210827225
Energy: 1.3488084047914408
Energy: 1.1789015210843246
Energy: 1.101102472939309
Energy: 1.3317450760105196
Energy: 1.172404917943064
Energy: 1.331745076006514
Energy: 1.1434054646249707
Energy: 1.2474037294917029
Energy: 1.3886305239458088
Energy: 1.2474037294917029
Energy: 1.1378908806004298
Energy: 1.2255226269295818
Energy: 1.1353806494281944
Energy: 1.225522626930383
Energy: 1.1374888170560806
Energy: 1.258508580375616
Energy: 1.1383978702276147
Energy: 1.258508580376417
Energy: 1.1376519620806531
Energy: 1.2251599375171809
Energy: 1.1084705538868878
Energy: 1.2251599375171809
Energy: 1.1746945195368652
Energy: 1.3636289460228457
Energy: 1.1241045755240222
Energy: 1.3636289460228457
Energy: 1.1741999249119763
Energy: 1.2361661428679396
Energy: 1.100421057128288
Energy: 1.2361661428679396
Energy: 1.0870440832845476
Energy: 1.5272577280351893
Energy: 1.1158416312649244
Energy: 1.5272577280343882
Energy: 1.1058791297518415
Energy: 1.433089727615768
Energy: 1.3214667672607956
Energy: 1.4330897276149666
Energy: 1.1497545547968349
Energy: 1.2275837191776262
Energy: 1.2194495674044394
Energy: 1.227583719176024
Energy: 1.142426888933223
Energy: 1.2346756062606634
Energy: 1.435185162966496
Energy: 1.2346756062590611
Energy: 1.5091465052716961
Energy: 1.3655506930424985
Energy: 1.1240957703740864
Energy: 1.3655506930424985
Energy: 1.1756515118045596
Energy: 1.170296365924592
Energy: 1.3065100471026547
Energy: 1.170296365924592
Energy: 1.394076579061673
Energy: 1.3778646092773186
Energy: 1.105942188638448
Energy: 1.3778646092773186
Energy: 1.153596951251432
Energy: 1.2280118553918784
Energy: 1.1923061851988654
Energy: 1.2280118553918784
Energy: 1.1432485719371195
Energy: 1.255861719286886
Energy: 1.1361784143351035
Energy: 1.255861719287687
Energy: 1.1056776563635422
Energy: 1.4289062257392338
Energy: 1.2000787818648428
Energy: 1.428906225740035
Energy: 1.0753778001992373
Energy: 1.3493260193789387
Energy: 1.172957521294569
Energy: 1.34932601937974
Energy: 1.1422828711596213
Energy: 1.2417821720061386
Energy: 1.1741761712763337
Energy: 1.2417821720053375
Energy: 1.1119628232212095
Energy: 1.2249205060157211
Energy: 1.0815964936818687
Energy: 1.2249205060173236
Energy: 1.3280862214181304
Energy: 1.418871031925194
Energy: 1.1060275806495887
Energy: 1.418871031925194
Energy: 1.3269994614443288
Energy: 1.3426347602394004
Energy: 1.1071378112274781
Energy: 1.3426347602402013
Energy: 1.1890784247549258
Energy: 1.225714580061194
Energy: 1.1429681228192243
Energy: 1.2257145800619949
Energy: 1.1229695451962467
Energy: 1.3495522426849307
Energy: 1.257248124518913
Energy: 1.3495522426857318
Energy: 1.116252243806051
Energy: 1.5797349862267476
Energy: 1.197462889861017
Energy: 1.5797349862267476
Energy: 1.1063070723604913
Energy: 1.493641945479203
Energy: 1.594292348281217
Energy: 1.493641945480004
Energy: 1.403961986235672
Energy: 1.2288142911818374
Energy: 1.161327510547295
Energy: 1.2288142911810362
Energy: 1.133504994353958
Energy: 1.1878949081795294
Energy: 1.2351900235321547
Energy: 1.1878949081811319
Energy: 1.414897744318913
Energy: 1.417874080114606
Energy: 1.1058037827676528
Energy: 1.417874080114606
Energy: 1.1732443972909214
Energy: 1.5795770763729209
Energy: 1.0784590087514807
Energy: 1.5795770763729209

minimum gb energy = 1.0753778001992373 eV
minimum distance =  2.20250944795986 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.2133836253517591
Energy: 1.2142709222680577
Energy: 1.049497819161769
Energy: 1.2142709222680577
Energy: 1.1733114130727542
Energy: 1.1869492410126
Energy: 1.0834831473378024
Energy: 1.1869492410137075
Energy: 1.0113042294298695
Energy: 1.214490771513321
Energy: 1.6407092356426063
Energy: 1.2144907715122137
Energy: 1.0985710923393526
Energy: 1.188300160882256
Energy: 1.085567929241998
Energy: 1.1883001608800408
Energy: 1.0119561243047588
Energy: 1.2847577557633958
Energy: 1.379521341170514
Energy: 1.2847577557622878
Energy: 1.0097541580116185
Energy: 1.189745556746793
Energy: 1.0843740324554139
Energy: 1.189745556746793
Energy: 1.0122787806196134
Energy: 1.2952777197179344
Energy: 1.0851844178973282
Energy: 1.2952777197179344
Energy: 1.0089727257192378
Energy: 1.1751459055975286
Energy: 1.093646896662386
Energy: 1.1751459055975286
Energy: 1.1826136616913812
Energy: 1.1704732013195611
Energy: 1.0904759550781573
Energy: 1.1704732013195611
Energy: 1.182904242803831
Energy: 1.170578946275542
Energy: 1.1018792969403293
Energy: 1.170578946275542
Energy: 1.0061539283399048
Energy: 1.1753881117622558
Energy: 1.0890509737116516
Energy: 1.1753881117622558
Energy: 1.0121954732888132
Energy: 1.2951589866261939
Energy: 1.1042605689308835
Energy: 1.2951589866261939
Energy: 1.0097605348397043
Energy: 1.189999216344227
Energy: 1.0835303690363551
Energy: 1.189999216344227
Energy: 1.0119856259679647
Energy: 1.284699370792983
Energy: 1.3929150746255516
Energy: 1.284699370792983
Energy: 1.0990503165642587
Energy: 1.1884900500837448
Energy: 1.0864415970105321
Energy: 1.1884900500837448
Energy: 1.0111902248717641
Energy: 1.2143152039011877
Energy: 1.0169664848327642
Energy: 1.21431520390008
Energy: 1.1729126995266597
Energy: 1.1862301960389163
Energy: 1.0835602723270021
Energy: 1.1862301960389163
Energy: 1.2133836253517591
Energy: 1.2142709222680577
Energy: 1.0566489942498678
Energy: 1.2142709222680577
Energy: 1.1733114130749194
Energy: 1.1869492410126
Energy: 1.0834831473378024
Energy: 1.1869492410126
Energy: 1.0113042294298695
Energy: 1.214490771513321
Energy: 1.6407092354953805
Energy: 1.2144907715122137
Energy: 1.098571092342676
Energy: 1.188300160882256
Energy: 1.0855679292408902
Energy: 1.1883001608811483
Energy: 1.0119561243047588
Energy: 1.2847577557633958
Energy: 1.3795213411727294
Energy: 1.2847577557622878
Energy: 1.0097541580116185
Energy: 1.1897455567445774
Energy: 1.084374032454306
Energy: 1.1897455567445774
Energy: 1.0122787806196134
Energy: 1.2952777197179344
Energy: 1.0851844178973282
Energy: 1.2952777197179344

minimum gb energy = 1.0061539283399048 eV
minimum distance =  2.27554649124362 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.1826003616693515
Energy: 1.1824668055931045
Energy: 1.3835863812683487
Energy: 1.182466805593789
Energy: 1.2966451990614793
Energy: 1.1299295345618838
Energy: 1.0672726210391212
Energy: 1.1299295345605147
Energy: 1.057991873855418
Energy: 1.1604320185325252
Energy: 1.3973030709024188
Energy: 1.1604320185311559
Energy: 1.0830576794636657
Energy: 1.0738739094328087
Energy: 1.07753520320373
Energy: 1.0738739094334933
Energy: 1.029895910468518
Energy: 1.2243888792451942
Energy: 1.418984946323746
Energy: 1.2243888792445097
Energy: 1.0233719215935198
Energy: 1.095056794276323
Energy: 1.1083790785217724
Energy: 1.0950567942722151
Energy: 1.0600468799779807
Energy: 1.1954329240900856
Energy: 1.1359262901015537
Energy: 1.1954329240900856
Energy: 1.050794016653204
Energy: 1.3380722479897749
Energy: 1.0410927129974648
Energy: 1.3380722479897749
Energy: 1.1272312222875467
Energy: 1.3343261918208975
Energy: 1.0772733971077084
Energy: 1.3343261918208975
Energy: 1.1282062536069029
Energy: 1.152548005321113
Energy: 1.068155266478789
Energy: 1.1525480053170052
Energy: 1.0604359839807413
Energy: 1.2854056270217773
Energy: 1.0425624270789706
Energy: 1.2854056270265701
Energy: 1.0585387666460508
Energy: 1.1687670926140605
Energy: 1.032216599873181
Energy: 1.1687670926126912
Energy: 1.021143610991733
Energy: 1.5066413210390759
Energy: 1.069709896173941
Energy: 1.5066413210397602
Energy: 1.0304579527725668
Energy: 1.2234468670702938
Energy: 1.161190745637002
Energy: 1.223446867071663
Energy: 1.0445228882450328
Energy: 1.3062813777609452
Energy: 1.166467197120086
Energy: 1.3062813777595759
Energy: 1.058592063336309
Energy: 1.3345733089746754
Energy: 1.4121993964319042
Energy: 1.3345733089712521
Energy: 1.077684822786228
Energy: 1.0869055939137353
Energy: 1.0679961980111707
Energy: 1.0869055939123662
Energy: 1.0755052893271215
Energy: 1.1827673591611474
Energy: 1.0587785342386173
Energy: 1.1827673591618322
Energy: 1.2741623997740679
Energy: 1.159776800874391
Energy: 1.0684157146189261
Energy: 1.15977680087576
Energy: 1.1052910764977306
Energy: 1.1386104426808086
Energy: 1.2385143059163777
Energy: 1.1386104426808086
Energy: 1.248532608048713
Energy: 1.1212484489193586
Energy: 1.0680272550135266
Energy: 1.1212484489200432
Energy: 1.0693652611497069
Energy: 1.3698349755353683
Energy: 1.4549282154675014
Energy: 1.3698349755353683
Energy: 1.2178770687958884
Energy: 1.1036601846744385
Energy: 1.106058425881314
Energy: 1.1036601846751233
Energy: 1.068964975607748
Energy: 1.1937271043908073
Energy: 1.2834609162684274
Energy: 1.1937271043901225
Energy: 1.0622470318129815
Energy: 1.165668034597552
Energy: 1.076135957202665
Energy: 1.1656680345968673
Energy: 1.0682234377227564
Energy: 1.2217884334708418
Energy: 1.0751437541144482
Energy: 1.221788433472211
Energy: 1.2378281951231136
Energy: 1.1277814394145707
Energy: 1.060261383856481
Energy: 1.1277814394145707
Energy: 1.1667396034796769
Energy: 1.3070203367974058
Energy: 1.0433173005142509
Energy: 1.3070203368008293
Energy: 1.159342805334579
Energy: 1.2255511138995985
Energy: 1.0315814783688062
Energy: 1.2255511139009676
Energy: 1.0711381836725833
Energy: 1.5047602964914917
Energy: 1.0848993222695769
Energy: 1.5047602964914917
Energy: 1.0304094130968502
Energy: 1.2268830484907185
Energy: 1.0582880911578934
Energy: 1.2268830484927726
Energy: 1.0435479676062425
Energy: 1.286650100525308
Energy: 1.0710812102957867
Energy: 1.2866501005239388
Energy: 1.0606618206858223
Energy: 1.1513917794900017
Energy: 1.2863640294995855
Energy: 1.1513917794920556
Energy: 1.0851625355038903
Energy: 1.3345288571427238
Energy: 1.11195413474053
Energy: 1.3345288571434086
Energy: 1.0309019065646203
Energy: 1.1656901284784482
Energy: 1.0942893251792944
Energy: 1.1656901284798176
Energy: 1.1380223368442963
Energy: 1.1932362760911863
Energy: 1.068884538178254
Energy: 1.1932362760905018
Energy: 1.1066801875223231
Energy: 1.093122914090303
Energy: 1.0246401504293987
Energy: 1.093122914090303
Energy: 1.4138937399919294
Energy: 1.224860116433503
Energy: 1.0678280477305306
Energy: 1.2248601164341872

minimum gb energy = 1.021143610991733 eV
minimum distance =  2.23378144129574 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 1.3175081699921334
Energy: 1.3045299011870224
Energy: 0.9126771368186134
Energy: 1.3045299011870224
Energy: 1.2745954995469015
Energy: 1.039383054582428
Energy: 1.0207585427105201
Energy: 1.039383054582428
Energy: 1.0410351244065703
Energy: 0.3243473746624257
Energy: 1.4574466801574562
Energy: 0.3243473746104746
Energy: 0.9884452419488015
Energy: 1.0995186749020573
Energy: 1.0407341036633764
Energy: 1.0995186749020573
Energy: 1.013171359150128
Energy: 1.0833164949207772
Energy: 1.64204316896998
Energy: 1.0833164949207772
Energy: 1.022895564068268
Energy: 1.018947599326994
Energy: 1.021129053684529
Energy: 1.0189475993287855
Energy: 1.0127717175070392
Energy: 0.33184612744302827
Energy: 1.0126329508850989
Energy: 0.3318461293715308
Energy: 0.9372752334707697
Energy: 0.34849652756959637
Energy: 1.0349586186602808
Energy: 0.3484965340015209
Energy: 1.0359398999760263
Energy: 1.083392935921999
Energy: 0.9849970947883611
Energy: 1.083392935921999
Energy: 1.0992057004112137
Energy: 1.0823751429696313
Energy: 1.021050022899973
Energy: 1.0823751429750055
Energy: 1.2604029741889526
Energy: 1.0728419418158228
Energy: 1.012954005164529
Energy: 1.0728419418158228
Energy: 1.2493846490305367
Energy: 0.33594223120076866
Energy: 1.026097538595453
Energy: 0.3359422311524411
Energy: 1.0404598209105533
Energy: 1.0200304811571572
Energy: 0.978937848570319
Energy: 1.0200304811571572
Energy: 1.036699207756816
Energy: 1.081518482725071
Energy: 1.03900039022776
Energy: 1.081518482725071
Energy: 0.9224486367150158
Energy: 1.020033196318154
Energy: 1.0405313918757249
Energy: 1.020033196318154

minimum gb energy = 0.3243473746104746 eV
minimum distance =  2.29825387016026 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.1229191777963938
Energy: 1.3354933340458819
Energy: 1.0220919755233582
Energy: 1.335493334045131
Energy: 1.3849656122838394
Energy: 0.989463797517069
Energy: 0.9204210210398096
Energy: 0.9894637975178199
Energy: 0.9663076481746681
Energy: 1.2015211057219863
Energy: 1.1330686361647904
Energy: 1.2015211057212356
Energy: 0.9738772418535849
Energy: 0.9894502625528457
Energy: 0.9349313039803748
Energy: 0.9894502625535966
Energy: 0.9521401422041069
Energy: 1.22168224205009
Energy: 0.966533514144551
Energy: 1.2216822419667457
Energy: 0.9149843208934617
Energy: 0.9899218244848946
Energy: 1.0837899017087642
Energy: 0.9899218244856456
Energy: 0.9521635655440968
Energy: 1.2251455659830077
Energy: 1.5251161574518655
Energy: 1.225145565981506
Energy: 0.8997987512832227
Energy: 0.9885474893013618
Energy: 1.0840211773368638
Energy: 0.988547489309621
Energy: 0.9505800101437307
Energy: 1.3316503798310388
Energy: 1.3277700875920277
Energy: 1.3316503798310388
Energy: 1.1370673850707755
Energy: 1.0423542453813655
Energy: 0.9358075690863898
Energy: 1.0423542453821162
Energy: 0.9687800514235548
Energy: 1.036817155857118
Energy: 0.930337766167305
Energy: 1.0368171558661283
Energy: 1.421175159372276
Energy: 1.042434944943325
Energy: 0.9260598149949114
Energy: 1.042434944944076
Energy: 1.0111455793763349
Energy: 0.9656788720882065
Energy: 0.9210041872464751
Energy: 0.9656788720852714
Energy: 1.375928627855347
Energy: 1.0430098079074943
Energy: 0.9176484603685374
Energy: 1.0430098079104977
Energy: 0.9686831796501342
Energy: 0.9551060784750367
Energy: 0.9198950214907632
Energy: 0.9551060784765384
Energy: 1.0298652714933263
Energy: 1.0419574487201981
Energy: 0.9407278741033092
Energy: 1.0419574487201981
Energy: 0.9375272504086758
Energy: 0.9556571797816411
Energy: 0.9374026294913305
Energy: 0.9556571797786376
Energy: 0.9490246524993817
Energy: 1.1211148364011447
Energy: 1.0897253193168046
Energy: 1.1211148363958887
Energy: 0.9477071277767358
Energy: 0.9799082155658486
Energy: 1.089918719145416
Energy: 0.9799082155635961
Energy: 0.9482097499132008
Energy: 0.9686295219397689
Energy: 1.0897223656910593
Energy: 0.9686295219375163
Energy: 0.9318206141877914
Energy: 1.0248738429443138
Energy: 1.0879883154911656
Energy: 1.0248738429450648
Energy: 0.9413955794765302
Energy: 0.9567419459173395
Energy: 0.9355851924047495
Energy: 0.9567419459225955
Energy: 1.0302892115059068
Energy: 1.043065571333159
Energy: 0.9380288448718663
Energy: 1.043065571333159
Energy: 0.9677667162720178
Energy: 0.9513768805213395
Energy: 0.9207952468288837
Energy: 0.9513768805205887
Energy: 1.4549716308323097
Energy: 1.0429157125502193
Energy: 0.9246740317425517
Energy: 1.0429157125502193
Energy: 1.1204470895262946
Energy: 1.130265950032616
Energy: 0.9127095598654689
Energy: 1.1302659500318655
Energy: 1.3250021970602548
Energy: 1.0431758374361688
Energy: 0.9224808779926629
Energy: 1.0431758374361688
Energy: 0.9673803725067817
Energy: 1.0376731642063581
Energy: 0.9429108691818265
Energy: 1.0376731642033548
Energy: 1.0229924232792413
Energy: 1.1536280880483551
Energy: 0.9364393618478966
Energy: 1.1536280880476044
Energy: 0.9521756248084109
Energy: 1.2242767669517864
Energy: 1.235781554004257
Energy: 1.2242767669562915
Energy: 0.8983704109814888
Energy: 0.9900260675992627
Energy: 1.0842120141037939
Energy: 0.9900260676000134
Energy: 0.9519646344747548
Energy: 1.225882920660282
Energy: 1.440942969777311
Energy: 1.2258829205935242
Energy: 0.9375442465866786
Energy: 0.9960336051208177
Energy: 1.0838604166641277
Energy: 0.9960336051178142
Energy: 0.9539454992782894
Energy: 1.3331787821002083
Energy: 1.2442472741172148
Energy: 1.3331787820806862
Energy: 1.053342345641814
Energy: 0.9908860820776333
Energy: 0.9367268594827121
Energy: 0.9908860820791351

minimum gb energy = 0.8983704109814888 eV
minimum distance =  2.2449790487753 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.9167185909071338
Energy: 0.9165308428383913
Energy: 0.9540656737406567
Energy: 0.9165308428383913
Energy: 0.8901890889702634
Energy: 0.9166567576379069
Energy: 0.8325414805262391
Energy: 0.9166567576379069
Energy: 0.8599962105503333
Energy: 1.2777691451721744
Energy: 1.1697096734137893
Energy: 1.2777691451708828
Energy: 0.8370529651206795
Energy: 0.9176509550522645
Energy: 0.8383012880133944
Energy: 0.9176509494534713
Energy: 0.8380778964138095
Energy: 0.9164496013859577
Energy: 0.8512035408156677
Energy: 0.9164496013859577
Energy: 0.7994549728236516
Energy: 0.9165349164173344
Energy: 0.8376226341288463
Energy: 0.9165349164173344
Energy: 0.8828328728940391
Energy: 0.6573937339056796
Energy: 1.1949245395886305
Energy: 0.6594159768627715
Energy: 0.8364819188459626
Energy: 0.9165191595567804
Energy: 0.9192209721666302
Energy: 0.9165191595567804
Energy: 0.8377108194306427
Energy: 0.9167388603722314
Energy: 1.1944799901202718
Energy: 0.9167388603722314
Energy: 1.1862647240267508
Energy: 0.9895577391288846
Energy: 0.8379936059541128
Energy: 0.9895577391288846
Energy: 0.8801658707776293
Energy: 0.6486238098343667
Energy: 0.8380273549271383
Energy: 0.6681191186856253
Energy: 1.2398261487794817
Energy: 0.9166731932757093
Energy: 0.8327820881405362
Energy: 0.9166731932757093
Energy: 0.8379450350920289
Energy: 0.9169586355913352
Energy: 0.8087487959333667
Energy: 0.9169586355913352
Energy: 1.1931720289249443
Energy: 0.016495180543379454
Energy: 0.8364811606886562
Energy: 0.016495298115627083
Energy: 0.9169573727116052
Energy: -0.0861733738742865
Energy: 0.8371607561958487
Energy: -0.08617341298712586
Energy: 0.9157126293771753
Energy: 0.9171058667337834
Energy: 0.8328555881015373
Energy: 0.9171058667337834
Energy: 0.8379053772280314
Energy: 0.990237378684042
Energy: 0.8037058497073821
Energy: 0.990237378684042
Energy: 0.8381043828305664
Energy: -0.19478038154286045
Energy: 0.8332734179351728
Energy: -0.13115594727227972
Energy: 0.8337458112172429
Energy: 0.9168036933131426
Energy: 0.8356178007505891
Energy: 0.9168036933131426
Energy: 0.8355294124057201
Energy: 0.9177457955539741
Energy: 0.8344269320970735
Energy: 0.9177457955513904

minimum gb energy = -0.19478038154286045 eV
minimum distance =  2.30533335826212 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.8243220961563766
Energy: 0.7636963056264444
Energy: 0.8085991030138847
Energy: 0.7636963056446016
Energy: 1.2747607703472228
Energy: 0.7920875932907394
Energy: 0.7670149610865434
Energy: 0.7920875932887219
Energy: 0.7628362698359746
Energy: 0.7612753552211268
Energy: 1.0701186558249844
Energy: 0.761275355220118
Energy: 0.9963701124629363
Energy: 1.066770220400573
Energy: 0.7667879232510149
Energy: 1.0667702204035994
Energy: 0.7663558205880704
Energy: 1.069094219590532
Energy: 0.7122458894980478
Energy: 1.0690942196429403
Energy: 0.7114370236611501
Energy: 1.0669340420190567
Energy: 0.766912859334626
Energy: 1.066934042052345
Energy: 0.7668293779731731
Energy: 0.7617398399436056
Energy: 1.051388622888716
Energy: 0.7617398399446145
Energy: 0.6879950891863319
Energy: 0.8252092266263127
Energy: 0.7638497838249187
Energy: 0.8252092266253038
Energy: 0.7664681425756206
Energy: 1.303479953998675
Energy: 1.2854173609837407
Energy: 1.303479953998675
Energy: 0.7119720152703287
Energy: 1.0415520993364595
Energy: 0.8255126970566802
Energy: 1.0415520993404945
Energy: 0.7674908920221278
Energy: 0.7612042639517655
Energy: 1.2713540139568205
Energy: 0.7612042639507567
Energy: 1.00031104493359
Energy: 1.331571965542626
Energy: 0.7637846866456521
Energy: 1.331571965542626
Energy: 0.7663668750425502
Energy: 0.7922766016970696
Energy: 0.9942495207246165
Energy: 0.7922766016960608
Energy: 1.0459557957077341
Energy: 1.284684128774474
Energy: 0.7672940829204903
Energy: 1.2846841287724562
Energy: 0.7666126551663249
Energy: 0.7618137657005171
Energy: 0.7122650037824407
Energy: 0.7618137657005171
Energy: 1.0485735489451768
Energy: 1.3328060942209805
Energy: 0.7661895182694758
Energy: 1.3328060942209805
Energy: 0.7663894677768037
Energy: 1.0699042323777745
Energy: 0.7065515831316185
Energy: 1.0699042323787835
Energy: 1.0461601948339754
Energy: 1.3028265513262272
Energy: 0.7673894154087608
Energy: 1.302826551327236
Energy: 0.8285164901715438
Energy: 0.7619894537385044
Energy: 0.7145353857827871
Energy: 0.7619894537385044
Energy: 1.2718281172009327
Energy: 1.3329419056733494
Energy: 0.7662787605225334
Energy: 1.332941905674358
Energy: 0.7669076168060913
Energy: 1.0751053206475059
Energy: 0.6909945956140428
Energy: 1.075105320643471
Energy: 0.7607454447793215
Energy: 0.792694160587342
Energy: 0.7676785146427246
Energy: 0.7926941605883506
Energy: 0.7668452716567713
Energy: 1.0173567179055203
Energy: 1.0497835381114882
Energy: 1.0173567179065293
Energy: 0.7116142548430537
Energy: 1.304638578360506
Energy: 0.7663975610938503
Energy: 1.304638578360506
Energy: 0.7630187396151009
Energy: 1.0740772245457362
Energy: 1.0512029110635182
Energy: 1.0740772245467447
Energy: 0.7109982967573895
Energy: 0.8249551457063767
Energy: 0.7647307753463072
Energy: 0.8249551457063767

minimum gb energy = 0.6879950891863319 eV
minimum distance =  2.30176238161361 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.189532445316743
Energy: 0.6998086336920633
Energy: 0.5795977136769688
Energy: 0.6998086336937174
Energy: 1.5530149264728192
Energy: 0.6787747093277618
Energy: 0.6612020041988133
Energy: 0.6787747093277618
Energy: 0.7002195604308687
Energy: 0.6587505593534086
Energy: 0.8307718325078631
Energy: 0.6587505593517546
Energy: 1.0879919074080702
Energy: 0.9116170747537338
Energy: 0.6609784423572912
Energy: 0.9116170757514678
Energy: 0.6595596958204561
Energy: 0.9520194075736885
Energy: 0.6172176709689279
Energy: 0.9520194073430316
Energy: 0.8646195288020738
Energy: 0.9105265463015851
Energy: 0.6609364295710013
Energy: 0.9105265463040662
Energy: 0.6605008477546571
Energy: 0.9123399120053994
Energy: 1.0083416130506215
Energy: 0.9123399171115025
Energy: 0.6255095993994231
Energy: 0.9134429118578408
Energy: 0.6599073866363268
Energy: 0.9134429118570138
Energy: 0.6624359292409434
Energy: 0.9193378805095137
Energy: 1.2369242159415008
Energy: 0.9193378805095137
Energy: 0.6073142643171751
Energy: 0.6595182520049505
Energy: 0.7006435507959727
Energy: 0.65951825226365
Energy: 0.6606944497245254
Energy: 0.8943215130561573
Energy: 1.3250951746154778
Energy: 0.8943215130610441
Energy: 0.6256756205622932
Energy: 1.1389671873380485
Energy: 1.1207525859225382
Energy: 1.1389671873388754
Energy: 0.6621503006745446
Energy: 0.9195476915731952
Energy: 1.4416108909155858
Energy: 0.919547691574022
Energy: 0.8639013548298156
Energy: 1.1173296015121332
Energy: 0.7005526021921714
Energy: 1.1173296015121332
Energy: 0.6609475040249662
Energy: 0.8933979353191168
Energy: 1.0919884162282307
Energy: 0.8933979353215977
Energy: 0.9051860052417043
Energy: 1.1384626937745486
Energy: 0.6599322627488771
Energy: 1.1384626937753755
Energy: 0.6621735011767175
Energy: 0.9179608629670883
Energy: 0.981483392812066
Energy: 0.9179608629670883
Energy: 0.9042340280897385
Energy: 1.1171134028845742
Energy: 0.6613593873039186
Energy: 1.1171134028837473
Energy: 0.6607718957568495
Energy: 0.9142070066804727
Energy: 0.622214831637296
Energy: 0.9142070066804727
Energy: 0.9341628848984486
Energy: 1.1370911037757012
Energy: 0.6636330134771113
Energy: 1.1370911037757012
Energy: 0.7021792519599133
Energy: 1.116334674615809
Energy: 0.6075590900026749
Energy: 1.116334674615809
Energy: 1.3278680451208804
Energy: 1.135543149679557
Energy: 0.6614114806561043
Energy: 1.1355431496787298
Energy: 1.1204094535294369
Energy: 1.1389706235468466
Energy: 0.6226093538348546
Energy: 1.1389706235468466
Energy: 1.125875047604272
Energy: 1.1381921397644632
Energy: 0.6637965430100261
Energy: 1.1381921397644632
Energy: 0.7017889734691309
Energy: 1.1151316055869047
Energy: 0.5943242500437282
Energy: 1.1151316055860774
Energy: 1.0901482863711518
Energy: 1.1360077897866752
Energy: 0.6614680535094877
Energy: 1.1360077897866752
Energy: 0.6611621664367985
Energy: 1.1375250456252248
Energy: 0.9067982751136537
Energy: 1.1375250456260517
Energy: 0.6599068831214278
Energy: 1.1152176184321314
Energy: 0.6640189927537766
Energy: 1.1152176184321314
Energy: 0.6625773513502625
Energy: 1.1150063961531214
Energy: 0.9085894671089606
Energy: 1.1150063961539483
Energy: 0.626146390512479
Energy: 1.1545885660718513
Energy: 0.662290763795205
Energy: 1.1545885660718513
Energy: 0.6644180975927773
Energy: 1.1373926814352993
Energy: 0.9390384159760434
Energy: 1.1373926814361262
Energy: 0.6253534521632693
Energy: 1.1142600648044096
Energy: 0.7047814090433456
Energy: 1.1142600648035825

minimum gb energy = 0.5795977136769688 eV
minimum distance =  2.22712127650586 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.0535104951630732
Energy: 0.9899330032698387
Energy: 0.7635640532878397
Energy: 0.9899330032691379
Energy: 1.546588722973874
Energy: 0.8120859728750092
Energy: 0.6156200001905578
Energy: 0.8120859728736081
Energy: 0.6465697284659511
Energy: 0.6142294200532276
Energy: 0.7361234514014411
Energy: 0.6142294200504252
Energy: 1.175341267882689
Energy: 0.8098401678813318
Energy: 0.6154853250796593
Energy: 0.809840167882733
Energy: 0.6140177113760865
Energy: 0.9898810279918554
Energy: 0.737518182997014
Energy: 0.9898810279904544
Energy: 0.9659706106993067
Energy: 1.0023728819779714
Energy: 0.6156512415169751
Energy: 1.0023728819779714
Energy: 0.6153966584893898
Energy: 0.8431375104787482
Energy: 0.5762285157965401
Energy: 0.843137510477347
Energy: 0.7901737965355111
Energy: 1.0141823678310722
Energy: 0.6154861788470086
Energy: 1.0141823678317727
Energy: 0.616574667734225
Energy: 1.002843207272538
Energy: 0.7856390957299797
Energy: 1.002843207272538
Energy: 0.559900851367388
Energy: 0.9883446616465437
Energy: 0.6144798585689083
Energy: 0.9883446616472442
Energy: 0.6154162486100115
Energy: 0.8117506410944494
Energy: 1.1907209729739787
Energy: 0.8117506410965513
Energy: 0.5460151446893081
Energy: 1.0005821019797216
Energy: 0.6468503124548982
Energy: 1.0005821019797216
Energy: 0.6164922487899498
Energy: 1.0027851563625563
Energy: 1.3552000405979847
Energy: 1.0027851563618557
Energy: 0.5597853096096803
Energy: 0.9892739249371677
Energy: 1.0058462857958166
Energy: 0.9892739249378684
Energy: 0.615513797363005
Energy: 0.8118002207721328
Energy: 1.3581821504882243
Energy: 0.8118002207721328
Energy: 0.772929999079114
Energy: 1.0008447391664084
Energy: 0.6468485622281729
Energy: 1.0008447391664084
Energy: 0.6163183650747298
Energy: 1.0029034088510607
Energy: 1.1630901323419007
Energy: 1.002903408852462
Energy: 0.8031665991542927
Energy: 0.9881061835065367
Energy: 0.6145438069478801
Energy: 0.9881061835065367
Energy: 0.6155828761393523
Energy: 0.8112352283477964
Energy: 0.9588437661700788
Energy: 0.8112352283470958
Energy: 0.80090051802901
Energy: 1.001079156624035
Energy: 0.6157062637330817
Energy: 1.001079156624035
Energy: 0.6161439752069431
Energy: 0.8428117508687191
Energy: 0.7812938846344969
Energy: 0.8428117508708209
Energy: 0.8268851138098805
Energy: 1.0011761689042746
Energy: 0.6179314519951113
Energy: 1.0011761689028735
Energy: 0.6153175604000009
Energy: 0.986766950225098
Energy: 0.5596604546497504
Energy: 0.986766950225098
Energy: 1.1900013251331507
Energy: 1.0004768043831547
Energy: 0.6156524492323086
Energy: 1.0004768043831547
Energy: 0.6478918187047797
Energy: 1.0151096792358945
Energy: 0.5452179220901698
Energy: 1.0151096792358945
Energy: 1.18790764735134
Energy: 1.000595339703078
Energy: 0.6176256255844066
Energy: 1.000595339703078
Energy: 1.00325944403894
Energy: 0.9866408122427681
Energy: 0.5593568722516572
Energy: 0.9866408122413669
Energy: 1.3568474757540976
Energy: 1.0003774414616626
Energy: 0.6158377482501626
Energy: 1.0003774414616626
Energy: 0.6480844629101824
Energy: 1.0144847080986135
Energy: 0.5459342931813403
Energy: 1.014484708097913
Energy: 0.986544176544164
Energy: 1.0008659593270617
Energy: 0.617744991619907
Energy: 1.0008659593270617
Energy: 0.6152499057970386
Energy: 0.9863515623292926
Energy: 0.8026606992389688
Energy: 0.9863515623299932
Energy: 0.9574700621809791
Energy: 0.9856888716292729
Energy: 0.6157814410193272
Energy: 0.9856888716306741
Energy: 0.61651385159406
Energy: 1.0142941759374982
Energy: 0.7974698350521595
Energy: 1.0142941759367976
Energy: 0.5904233232035155
Energy: 1.0136743540159363
Energy: 0.6173693605967555
Energy: 1.0136743540145352
Energy: 0.5963065291833122
Energy: 0.9866317195573899
Energy: 0.8308577219399578
Energy: 0.9866317195559888
Energy: 0.5631238381134244
Energy: 0.9855169016555634
Energy: 0.6163069796008561
Energy: 0.9855169016562638
Energy: 0.6166869583805978
Energy: 1.0142051729887673
Energy: 1.18634187455172
Energy: 1.0142051729894679

minimum gb energy = 0.5452179220901698 eV
minimum distance =  2.23287977425165 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: -0.2055801629721274
Energy: 0.9425650370027556
Energy: 0.5883446762238237
Energy: 0.942565037002148
Energy: 1.5768142221130468
Energy: 0.93313020078258
Energy: 0.5634632305388088
Energy: 0.93313020078258
Energy: 1.0308843009384001
Energy: 0.6143023710404644
Energy: 0.6299509885984909
Energy: 0.6143023710416796
Energy: 1.2828912173941946
Energy: 0.7755432550727168
Energy: 0.5638423819513505
Energy: 0.7755432550721092
Energy: 0.6939477964314587
Energy: 0.6555184225374527
Energy: 0.49820959256375
Energy: 0.6555184225374527
Energy: 1.120178170465818
Energy: 0.7732324710980896
Energy: 0.565648095008069
Energy: 0.7732324710974818
Energy: 0.6575428940260215
Energy: 0.7808727540548291
Energy: 0.5948404761652311
Energy: 0.7808727540767033
Energy: 0.926227483715302
Energy: 0.8481987336507032
Energy: 0.57392836773935
Energy: 0.8481987336507032
Energy: 0.5733844705106869
Energy: 0.7446392395786205
Energy: 0.7939552652440471
Energy: 0.7446392395858842
Energy: 0.7629538227324313
Energy: 0.776797278548068
Energy: 0.6575017359241373
Energy: 0.7767972785492832
Energy: 0.5627563386959245
Energy: 0.7634908130507919
Energy: 1.1296330148109466
Energy: 0.7634908130513994
Energy: 0.5714971143131993
Energy: 0.9363855197876674
Energy: 0.6948068181381285
Energy: 0.9363855197876674
Energy: 0.5630685388085596
Energy: 0.7433627105259701
Energy: 1.3011983096603765
Energy: 0.7433627105265779
Energy: 0.4694025024807587
Energy: 0.8537714841710028
Energy: 0.9964074959965165
Energy: 0.8537714841710028
Energy: 0.5615888080049029
Energy: 0.7741174359206853
Energy: 1.4562008462275093
Energy: 0.7741174359206853
Energy: 0.4828696982790776
Energy: 0.92745149278077
Energy: -0.2283433192350261
Energy: 0.92745149278077
Energy: 0.5623054767135149
Energy: 0.8234323763868473
Energy: 1.3659098268213823
Energy: 0.8234323763868473
Energy: 0.6572012880854535
Energy: 0.6157154883097279
Energy: 0.9962267033574695
Energy: 0.615715488144539
Energy: 0.5631654197710567
Energy: 0.7754038500888739
Energy: 1.2778241730401856
Energy: 0.7754038500888739
Energy: 0.6977885792678518
Energy: 0.9278547525456425
Energy: 0.6948534794172582
Energy: 0.927854752545035
Energy: 0.5660760190199238
Energy: 0.7525423792303377
Energy: 1.1042474947395993
Energy: 0.7525423792260842
Energy: 0.7734605624842704
Energy: 0.9180128344398895
Energy: 0.6577166138187692
Energy: 0.9180128344398895
Energy: 0.5732386138977112
Energy: 0.9171512579400896
Energy: 0.9245102064046712
Energy: 0.9171512579400896
Energy: 0.8182241757890403
Energy: 0.9446099843122924
Energy: 0.5741214096440062
Energy: 0.9446099843122924
Energy: 0.6579333456425145
Energy: 0.8444630629625064
Energy: 0.7471798844114416
Energy: 0.8444630629625064
Energy: 1.1296551077352308
Energy: 0.9174687634347966
Energy: 0.5618552806805747
Energy: 0.9174687634347966
Energy: 0.6962447220389434
Energy: 0.9169542873744465
Energy: 0.5704385081656818
Energy: 0.9169542873744465
Energy: 1.159759502135017
Energy: 0.9451105921365675
Energy: 0.5633128472671867
Energy: 0.9451105921365675
Energy: 0.9963945660702724
Energy: 0.9318540461537946
Energy: 0.46530749366295365
Energy: 0.9318540461586555
Energy: 1.4520843837497872
Energy: 0.9258576799355557
Energy: 0.5613813426959531
Energy: 0.9258576799355557
Energy: -0.29394060244230785
Energy: 0.9297143692735805
Energy: 0.48195004403910735
Energy: 0.9297143692735805
Energy: 1.309213013460207
Energy: 0.9564966564357301
Energy: 0.5624033379880704
Energy: 0.9564966564357301
Energy: 0.9962497113599533
Energy: 0.8505106395350637
Energy: 0.4704966519055901
Energy: 0.8505106395344559
Energy: 1.2806379709484659
Energy: 0.9227757785105789
Energy: 0.5617074954245137
Energy: 0.9227757785105789
Energy: 0.6961712035907922
Energy: 0.9183630387921982
Energy: 0.6972743191004179
Energy: 0.9183630387921982
Energy: 0.9590649992569878
Energy: 0.9510979950954006
Energy: 0.5653238804075127
Energy: 0.9510979950947929
Energy: 0.6501137281833517
Energy: 0.9191490565000215
Energy: 0.7744427717087398
Energy: 0.9191490565006291
Energy: 0.9370059690288159
Energy: 0.9174895944294867
Energy: 0.5735755715196462
Energy: 0.9174895944300945
Energy: 0.5738398599880715
Energy: 0.9177784136015334
Energy: 0.8168485522621654
Energy: 0.9177784136015334
Energy: 0.6093377796473958
Energy: 0.9577820260487756
Energy: 0.6504424464563168
Energy: 0.9577820260487756
Energy: 0.5620414432468467
Energy: 0.9184108975347035
Energy: 1.1327382023029335
Energy: 0.9184108975347035
Energy: 0.5694588288768677
Energy: 0.9172291447784565
Energy: 0.6965539544599284
Energy: 0.9172291447784565
Energy: 0.5633747520245938
Energy: 0.9191128766809314
Energy: 1.1601341380415726
Energy: 0.9191128766803239

minimum gb energy = -0.29394060244230785 eV
minimum distance =  2.23504011544167 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.019730337428562224
Energy: 0.020119004944124372
Energy: 0.032439003729006356
Energy: 0.02011900494365727
Energy: 1.2603978439797998
Energy: -2.4402614213987595
Energy: -2.440107474871128
Energy: -2.440261421399226
Energy: 0.019730337428562224
Energy: 0.020119004944124372
Energy: 0.02126317141241271
Energy: 0.02011900494365727
Energy: 1.2603978439793326
Energy: -2.4402614213987595
Energy: -2.440107481984602
Energy: -2.440261421397825
Energy: 0.019730337428562224
Energy: 0.020119004944124372
Energy: 0.021728081531445006
Energy: 0.02011900494365727
Energy: 1.2603978439797998
Energy: -2.4402614213996934
Energy: -2.4401074816700854
Energy: -2.4402614213996934

minimum gb energy = -2.4402614213996934 eV
minimum distance =  2.4432563114894 Angstroms
sigma value = 1