Model name: model_name=MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.867570169270039
cohesive_energy=4.280336240308329
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=[1.9007742932785797e-19, 2.7152888504715e-19, 3.34044215129196e-19, 3.85060723509024e-19, 4.2799905730022395e-19, 4.64801054583204e-19, 4.9670680007268e-19, 5.245718560912079e-19, 5.490162649961459e-19, 5.7051106671789e-19, 5.8941835317572395e-19, 6.06034527046938e-19, 6.20598312649998e-19, 6.33305175534252e-19, 6.443217420696359e-19, 6.5379220815321e-19, 6.61836737032524e-19, 6.68561072365422e-19, 6.7405974257331e-19, 6.7841445866452195e-19, 6.816973185875879e-19, 6.83972409407868e-19, 6.853006138374539e-19, 6.85731599352e-19, 6.852685703047741e-19, 6.837705351519839e-19, 6.810580501106219e-19, 6.769100148051959e-19, 6.71068478797632e-19, 6.63224221997568e-19, 6.53000732896014e-19, 6.399477998588159e-19, 6.23512671947244e-19, 6.0301923062174995e-19, 5.776375483859219e-19, 5.463294147809279e-19, 5.078002710864959e-19, 4.6040948842941e-19, 4.0206302194903194e-19, 3.30061204017072e-19, 2.4086963297892597e-19, 1.298152402462062e-19, -9.389091532333138e-21, -1.85367030023898e-19, -4.10432792685048e-19, -7.03196926839234e-19, -1.09301291059797e-18, -1.62864459199368e-18, -2.39579880788556e-18, -3.55660782275124e-18, -5.4488425145706e-18, -8.8533076441572e-18, -1.5798262699557e-17, -3.2261428702224e-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: 0.013118462607142894
Energy: 0.01344780626072842
Energy: 0.21841007371132848
Energy: 0.9330936424641935
Energy: 0.21838373437201603
Energy: 0.013245343825017889
Energy: 0.01344780626072842
Energy: 0.9206134449507531
Energy: 0.2185581653884473
Energy: 0.21850225183360703
Energy: 0.21846297824772118
Energy: 0.21845086360271915
Energy: 0.21841007371182689
Energy: 0.2185581653884473
Energy: 0.9211007796301796
Energy: 0.013545719130482806
Energy: 0.2183802849642281
Energy: 0.21847994167918067
Energy: 0.9330936424636951
Energy: 0.21850225183360703
Energy: 0.013545719130482806
Energy: 0.013288910212017902
Energy: 0.21874448411075628
Energy: 0.2184221447993469
Energy: 0.21838373437201603
Energy: 0.21846297824722277
Energy: 0.21838028496469883
Energy: 0.2187444841102579
Energy: 0.9209745302828842
Energy: 0.21842586257267624
Energy: 0.013245343825017889
Energy: 0.21845086360271915
Energy: 0.21847994167918067
Energy: 0.2184221447993469
Energy: 0.21842586257267624
Energy: 0.013286335891072079

minimum gb energy = 0.013118462607142894 eV
minimum distance =  2.48235239375883 Angstroms
sigma value = 1


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

Energy: 1.6763626403464755
Energy: 1.1979469128191134
Energy: 1.1370764433149425
Energy: 1.1294793747851304
Energy: 1.136888947622318
Energy: 1.1980906587042308
Energy: 1.2123111501040644
Energy: 1.2227543938164018
Energy: 1.1279847752467032
Energy: 1.130410122224096
Energy: 1.1330637574888822
Energy: 1.2183864117025311
Energy: 1.1300399785944426
Energy: 1.1276617773794497
Energy: 1.2278288088227285
Energy: 1.1405096776185892
Energy: 1.127554949092797
Energy: 1.1271589253625411
Energy: 1.1189023574792956
Energy: 1.1266515962742407
Energy: 1.2434321998907665
Energy: 1.0420739052278263
Energy: 1.1265661739512742
Energy: 1.1272206311357769
Energy: 1.1286090385143819
Energy: 1.1331958165188079
Energy: 1.2147192598783318
Energy: 1.1262811115474827
Energy: 1.2141022113049509
Energy: 1.1301745072349898
Energy: 1.1401556713805758
Energy: 1.242214771919041
Energy: 1.242431048128839
Energy: 1.1273245021280023
Energy: 1.242975795812579
Energy: 1.2425454388311135
Energy: 1.1403348120856434
Energy: 1.2418507223089659
Energy: 1.2421955923405033
Energy: 1.269981866800097
Energy: 1.2423707625329814
Energy: 1.2417670702038928
Energy: 1.216638699003759
Energy: 1.1316349197528146
Energy: 1.129388760724231
Energy: 1.130336414096157
Energy: 1.2792885665229112
Energy: 1.1326117138801315
Energy: 1.0404898311311004
Energy: 1.2433158336488999
Energy: 1.2443424292114358
Energy: 1.1263521192855468
Energy: 1.2450076146287687
Energy: 1.2798317198352571
Energy: 1.0463680306216423
Energy: 1.2417805783004967
Energy: 1.2426253645844576
Energy: 1.127929403994046
Energy: 1.2425161791611201
Energy: 1.2758773902501934
Energy: 1.2147400028944968
Energy: 1.2149049306432902
Energy: 1.2135468211507996
Energy: 1.130160937154481
Energy: 1.2134515509558754
Energy: 1.2148345508141392
Energy: 1.1183403959034413
Energy: 1.12669652431919
Energy: 1.1908435091704468
Energy: 1.21248835362582
Energy: 1.1268237327838682
Energy: 1.1204186721097291
Energy: 1.1270908433687077
Energy: 1.1270620821366117
Energy: 1.19113573115828
Energy: 1.2127574486388586
Energy: 1.1266790375148734
Energy: 1.1277230782788825
Energy: 1.1258069897568668
Energy: 1.2145099495588438
Energy: 1.1305600381490697
Energy: 1.0448268150495545
Energy: 1.2134876101156034
Energy: 1.2145963458871571
Energy: 1.041399071418385
Energy: 1.1262260553411214
Energy: 1.1266419753490822
Energy: 1.1278232570321978
Energy: 1.1264503775287638
Energy: 1.2430499820508496
Energy: 1.0476713797544417
Energy: 1.1278170262327347
Energy: 1.128085934580398
Energy: 1.1210934084985185
Energy: 1.1277683329420904
Energy: 1.2183822100208392
Energy: 1.05734300385213
Energy: 1.13388569898707
Energy: 1.140124887454687
Energy: 1.1402614095485333
Energy: 1.2424402171606332
Energy: 1.137274177730206
Energy: 1.1262268075789008
Energy: 1.2468540427248787
Energy: 1.2433932882291168
Energy: 1.2795826663854364
Energy: 1.243557741738042
Energy: 1.2443497673257147
Energy: 1.1263710129048838
Energy: 1.2428457613986994
Energy: 1.1399044061696162
Energy: 1.1411089242914065
Energy: 1.2430618519203902
Energy: 1.274634223664898
Energy: 1.1282518865749773
Energy: 1.242809683799358
Energy: 1.1406260361674634
Energy: 1.1409401091781792
Energy: 1.2829663764943262
Energy: 1.1290504331616136
Energy: 1.1270272695587344
Energy: 1.2427998432447767
Energy: 1.2761353792543662
Energy: 1.0411589885419479
Energy: 1.241978126855005
Energy: 1.2427986372261717
Energy: 1.131126013358527
Energy: 1.1275878414688996
Energy: 1.2443902787423209
Energy: 1.042837382681801
Energy: 1.246222663056448
Energy: 1.127217245311511
Energy: 1.2123217704366112
Energy: 1.222759167861313
Energy: 1.128125214519972
Energy: 1.1255972935932252
Energy: 1.1331059923904407
Energy: 1.2178265169799913

minimum gb energy = 1.0404898311311004 eV
minimum distance =  2.19578642523808 Angstroms
sigma value = 33


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

Energy: 1.9956015966231349
Energy: 1.2065712517192753
Energy: 1.1714613235006515
Energy: 1.157678884923058
Energy: 1.1716000842627634
Energy: 1.2900899518578122
Energy: 1.35532557680586
Energy: 1.3429876906838363
Energy: 1.1566373375202286
Energy: 1.1620255373775263
Energy: 1.1564550408480974
Energy: 1.243835646132265
Energy: 1.2914684683011914
Energy: 1.2445586056870013
Energy: 1.4647438992025328
Energy: 1.1402844267696044
Energy: 1.2453516345119933
Energy: 1.2442999520899838
Energy: 1.2528771347989747
Energy: 1.2437872449680372
Energy: 1.2443181888831636
Energy: 1.1138491650536706
Energy: 1.2441324054091731
Energy: 1.2321049132780617
Energy: 1.2839806631502582
Energy: 1.2439999717704502
Energy: 1.246842646839983
Energy: 1.3199722846712854
Energy: 1.2839336664851368
Energy: 1.273126967498862
Energy: 1.1605334079644207
Energy: 1.3401673134711587
Energy: 1.307405631469673
Energy: 1.1505664824667303
Energy: 1.3411352948802713
Energy: 1.3399717344527686
Energy: 1.1512757585632303
Energy: 1.3406643301472103
Energy: 1.3404845041177509
Energy: 1.5977353163950683
Energy: 1.3408705484558923
Energy: 1.340644083796966
Energy: 1.3185914998143593
Energy: 1.1651444509862285
Energy: 1.15630612083644
Energy: 1.1614559016687411
Energy: 1.341595678909966
Energy: 1.2562241091883943
Energy: 1.1740861650518786
Energy: 1.2451013309561083
Energy: 1.239412931365653
Energy: 1.254241593036021
Energy: 1.2446083365542908
Energy: 1.287797450209005
Energy: 1.1037947436760525
Energy: 1.2442720786856019
Energy: 1.2441854864288249
Energy: 1.2551444392881754
Energy: 1.2441736502911425
Energy: 1.2815861336816572
Energy: 1.2269852328461568
Energy: 1.2464309986924051
Energy: 1.2460167148172356
Energy: 1.2550563004582187
Energy: 1.2438234958551702
Energy: 1.1655481806856849
Energy: 1.1628219578924508
Energy: 1.155667596312201
Energy: 1.156430240534059
Energy: 1.1130197918009712
Energy: 1.1563355599437384
Energy: 1.1556193101890226
Energy: 1.139765461803119
Energy: 1.1558360234698928
Energy: 1.1559776218333833
Energy: 1.113014343127277
Energy: 1.1561145782230375
Energy: 1.1556712466219512
Energy: 1.1970361801644742
Energy: 1.2879293629050863
Energy: 1.243839446322538
Energy: 1.2875240589363939
Energy: 1.24405824289311
Energy: 1.2074555896034325
Energy: 1.1493289274535152
Energy: 1.3116926895891337
Energy: 1.313572060610634
Energy: 1.2546309785741294
Energy: 1.313563810876846
Energy: 1.3114047738134382
Energy: 1.141164591364443
Energy: 1.3127926219619908
Energy: 1.321749014103894
Energy: 1.2548112663344864
Energy: 1.3140743080773818
Energy: 1.3048711358598666
Energy: 1.2890549175432282
Energy: 1.11465951753494
Energy: 1.2794894555823328
Energy: 1.2887241779645244
Energy: 1.3124536787727434
Energy: 1.2075106718212132
Energy: 1.1056642317981409
Energy: 1.3112255885279738
Energy: 1.3114891883991449
Energy: 1.4645528713623082
Energy: 1.3120603902978545
Energy: 1.335534820394995
Energy: 1.104907296542947
Energy: 1.3117374612383117
Energy: 1.244617492169125
Energy: 1.2870879070294088
Energy: 1.3127032024080703
Energy: 1.3118247462616288
Energy: 1.1606944122424
Energy: 1.1645588317132645
Energy: 1.2436354479278064
Energy: 1.2864294994337966
Energy: 1.2434961052747253
Energy: 1.1515652491626942
Energy: 1.1410286107340073
Energy: 1.15595405891596
Energy: 1.1981927004593989
Energy: 1.104303019458656
Energy: 1.1561647901433327
Energy: 1.1560928118334088
Energy: 1.161678013779282
Energy: 1.155939106419892
Energy: 1.4553727921613118
Energy: 1.1483057224668838
Energy: 1.155896506288729
Energy: 1.155967044128489
Energy: 1.3061326986477932
Energy: 1.4649784025535233
Energy: 1.2452138399640513
Energy: 1.248315944864469
Energy: 1.2523945526508755
Energy: 1.2330392319283843
Energy: 1.8958786769203655
Energy: 1.2463640175388175
Energy: 1.2447719059900586
Energy: 1.2550810121101321
Energy: 1.2460551763508165
Energy: 1.3154627844827365
Energy: 1.3061499546560953
Energy: 1.2864572505015393
Energy: 1.256384450736106
Energy: 1.2730133199877103
Energy: 1.2524052602642106
Energy: 1.2472996662953377
Energy: 1.1610067619723152
Energy: 1.2964975414990083
Energy: 1.3396546883146048
Energy: 1.1616447623903956
Energy: 1.340378457101073
Energy: 1.1560565398828389
Energy: 1.5973819660212536
Energy: 1.339902849086628
Energy: 1.3396456696050074
Energy: 1.1513819033082937
Energy: 1.339979174904328
Energy: 1.339555231835463
Energy: 1.1507274666798535
Energy: 1.339856524829857
Energy: 1.1563800371616575
Energy: 1.1616087895474847
Energy: 1.3396786627198913
Energy: 1.1556673211729944
Energy: 1.2544789331903692
Energy: 1.245047102800087
Energy: 1.287442510653527
Energy: 1.1757294087210095
Energy: 1.2453156521178306
Energy: 1.2393425706032122
Energy: 1.2550610248107883
Energy: 1.2521306747655072
Energy: 1.2835066523533019
Energy: 1.793130462169018
Energy: 1.245609039557564
Energy: 1.2479310652413682
Energy: 1.247807152782156
Energy: 1.245406583171492
Energy: 1.2471169820498873
Energy: 1.2284786366009501
Energy: 1.2443474495524005
Energy: 1.2526026977095357
Energy: 1.2296805405427973
Energy: 1.1560620786093947
Energy: 1.1557272019793985
Energy: 1.1610896897968082
Energy: 1.155818633588883
Energy: 1.2873994787954495
Energy: 1.1128341404283042
Energy: 1.1561681617820259
Energy: 1.1558700700471034
Energy: 1.140536948138834
Energy: 1.155792510743891
Energy: 1.2439360984687318
Energy: 1.2879906131009289
Energy: 1.2433749701213301
Energy: 1.1418572751268672
Energy: 1.1820287430301775
Energy: 1.165178853447123
Energy: 1.244332199208515
Energy: 1.2844580378731316
Energy: 1.3113850034189838
Energy: 1.3112712485490996
Energy: 1.1490376827143918
Energy: 1.311191563591903
Energy: 1.2442010887248505
Energy: 1.2544384656315748
Energy: 1.312840629243608
Energy: 1.3113933743653015
Energy: 1.1416392719746307
Energy: 1.3115281481490146
Energy: 1.3195223194385668
Energy: 1.2951502898573235
Energy: 1.2913904173747308
Energy: 1.2072539616566216
Energy: 1.2874834960446726
Energy: 1.1431145994252851
Energy: 1.2954528591435128
Energy: 1.2547552183029105
Energy: 1.3134249150975081
Energy: 1.311750752395711
Energy: 1.1069114135621538
Energy: 1.3121418908327747
Energy: 1.318930064195088
Energy: 1.284015309586597
Energy: 1.3120129527572681
Energy: 1.3113762399112814
Energy: 1.1042188699038897
Energy: 1.3115033387993917
Energy: 1.2439067523727234
Energy: 1.2868244209510453
Energy: 1.243493723695857
Energy: 1.2078196342244738
Energy: 1.18238705407565
Energy: 1.246895444717544
Energy: 1.244700173482888
Energy: 1.1041645607855848
Energy: 1.1562285442785358
Energy: 1.1555903766181372
Energy: 1.1401504219694552
Energy: 1.1556572091400947
Energy: 1.2827125486687967

minimum gb energy = 1.1037947436760525 eV
minimum distance =  2.19544782098032 Angstroms
sigma value = 51


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

Energy: 1.9037921977235688
Energy: 1.3396240652119615
Energy: 1.2483315693062316
Energy: 1.3115964170788708
Energy: 1.248086667235155
Energy: 1.3399964143440652
Energy: 1.1190263354076608
Energy: 1.358447579427936
Energy: 1.2470352991458915
Energy: 1.3211532518589888
Energy: 1.2477658531410467
Energy: 1.2502518304102392
Energy: 1.32058394417697
Energy: 1.2475349165079943
Energy: 1.3579770275770067
Energy: 1.2871771102315046
Energy: 1.2475125320498266
Energy: 1.2473852350869408
Energy: 1.286050537555666
Energy: 1.2474514274563793
Energy: 1.246584787800565
Energy: 1.306224238564139
Energy: 1.2470386051403164
Energy: 1.2473141472310647
Energy: 1.28982618633791
Energy: 1.2590746710249894
Energy: 1.2503594987571176
Energy: 1.2863944852694638
Energy: 1.349100530512801
Energy: 1.259694190166108
Energy: 1.3125253897129119
Energy: 1.3515640212217852
Energy: 1.2470309034291898
Energy: 1.3014295141592456
Energy: 1.3517191107997029
Energy: 1.352162945191517
Energy: 1.3126195938043783
Energy: 1.3519271181624266
Energy: 1.3519755789118053
Energy: 1.4435793616297479
Energy: 1.3537712200752277
Energy: 1.351044970406306
Energy: 1.315175328486897
Energy: 1.2471722007185675
Energy: 1.2466103275418436
Energy: 1.31768940900416
Energy: 1.351185981315106
Energy: 1.2472063155946143
Energy: 1.1203110840968726
Energy: 1.2469406426154788
Energy: 1.2476412304079838
Energy: 1.2875484964383554
Energy: 1.2469954077075471
Energy: 1.331717219004181
Energy: 1.1165512891118698
Energy: 1.2467550694960539
Energy: 1.2477674415457787
Energy: 1.2999439679316143
Energy: 1.2470820016392623
Energy: 1.329555679787999
Energy: 1.2898501722294606
Energy: 1.2597057376771819
Energy: 1.2589270090887839
Energy: 1.2902063870422273
Energy: 1.3612874445036849
Energy: 1.2602297600301262
Energy: 1.3152229997434484
Energy: 1.2467072147068765
Energy: 1.2471949465242211
Energy: 1.306009836217622
Energy: 1.246731243779129
Energy: 1.246913254443292
Energy: 1.2819610697016188
Energy: 1.246875339261697
Energy: 1.247274965610717
Energy: 1.305800733087679
Energy: 1.2467001910718107
Energy: 1.2469034535803922
Energy: 1.3007168989529028
Energy: 1.2505978840746401
Energy: 1.2506281132335337
Energy: 1.2853823593575155
Energy: 1.2499402291182526
Energy: 1.2477719485512513
Energy: 1.3130044717573728
Energy: 1.3503249340646886
Energy: 1.3504503606594112
Energy: 1.4462417446237186
Energy: 1.3503835998401041
Energy: 1.3501737939153646
Energy: 1.3001720607885732
Energy: 1.3503245003721944
Energy: 1.3505740035792944
Energy: 1.4461049254962512
Energy: 1.3504370856560077
Energy: 1.2466911072855815
Energy: 1.2866133268815971
Energy: 1.2505803360140848
Energy: 1.2597917634829707
Energy: 1.3176973858167156
Energy: 1.250449566857761
Energy: 1.2498506506682079
Energy: 1.1165220825438975
Energy: 1.2467000540434279
Energy: 1.2466729752921646
Energy: 1.2830381971274596
Energy: 1.2471316727017667
Energy: 1.3294490096594187

minimum gb energy = 1.1165220825438975 eV
minimum distance =  2.20205604852074 Angstroms
sigma value = 19


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

Energy: 1.8001306281131222
Energy: 1.4046213113978947
Energy: 1.320825178572707
Energy: 1.3198133838029282
Energy: 1.3208281625306522
Energy: 1.4043272371908568
Energy: 1.2974329979786456
Energy: 1.4283947147860312
Energy: 1.3560950531749012
Energy: 1.27452640285376
Energy: 1.3567070799112007
Energy: 1.4286990214767337
Energy: 1.3745644293415789
Energy: 1.4164801813511476
Energy: 1.5528106894027551
Energy: 1.2993207628394998
Energy: 1.4173206297739704
Energy: 1.4164476727253914
Energy: 1.4539440984339853
Energy: 1.4179037449279854
Energy: 1.4175460449047133
Energy: 1.369049039036778
Energy: 1.41767512964512
Energy: 1.417627869392379
Energy: 1.45181345861121
Energy: 1.428229028060615
Energy: 1.4064268143403045
Energy: 1.2997842094433734
Energy: 1.4059843471260909
Energy: 1.4272477364602165
Energy: 1.4552546906131598
Energy: 1.4165900010939605
Energy: 1.4062974214349067
Energy: 1.274054878372291
Energy: 1.4181472560369515
Energy: 1.418346849873851
Energy: 1.3753736192077384
Energy: 1.416187910256928
Energy: 1.436863373975699
Energy: 1.8116218764586294
Energy: 1.4166552124902227
Energy: 1.417043748928942
Energy: 1.3745463733993508
Energy: 1.4185511502896009
Energy: 1.3566275872836446
Energy: 1.3001562697396778
Energy: 1.552956833923454
Energy: 1.4185333221254257
Energy: 1.2954823812312983
Energy: 1.3572134218382466
Energy: 1.320059961159785
Energy: 1.2744455933151613
Energy: 1.3202513956569468
Energy: 1.4199673902718484
Energy: 1.2954398499564617
Energy: 1.3200858927232293
Energy: 1.3204860755512213
Energy: 1.3170865219932208
Energy: 1.3203723111001457
Energy: 1.4191496123829845
Energy: 1.3534195212403957
Energy: 1.4286301980998992
Energy: 1.3574088236574076
Energy: 1.348662093050144
Energy: 1.3571199075121294
Energy: 1.4168748514265235
Energy: 1.374947001748201
Energy: 1.4376556092536807
Energy: 1.4379499513169276
Energy: 1.3756450368914057
Energy: 1.4376268542409256
Energy: 1.4180597705946965
Energy: 1.494524695939927
Energy: 1.4400235013776808
Energy: 1.44030079975172
Energy: 1.3756185991250909
Energy: 1.4401099753234419
Energy: 1.4388843691701214
Energy: 1.3756404103864213
Energy: 1.4380730667296575
Energy: 1.4173995242821311
Energy: 1.353671624040878
Energy: 1.4178157476104127
Energy: 1.3757111955810704
Energy: 1.3168169979111453
Energy: 1.3200095145099449
Energy: 1.549114315118081
Energy: 1.2974785074499486
Energy: 1.424461377037065
Energy: 1.3200609215416754
Energy: 1.2756444919476184
Energy: 1.320474760951254
Energy: 1.3853793199628996
Energy: 1.294866221927831
Energy: 1.3200745637514302
Energy: 1.3203205949856511
Energy: 1.2994834338953904
Energy: 1.356592169802577
Energy: 1.4287560503879302
Energy: 1.3526165797070473
Energy: 1.4292766660158536
Energy: 1.356372076345111
Energy: 1.3360290356626174
Energy: 1.416769085340695
Energy: 1.4177069266290263
Energy: 1.3744561637821826
Energy: 1.4168772904045623
Energy: 1.4163034105101802
Energy: 1.3371736513607533
Energy: 1.416728408475159
Energy: 1.4163939684389582
Energy: 1.4516481830121335
Energy: 1.4161270887841746
Energy: 1.4400227007985205
Energy: 1.2994717947271923
Energy: 1.4060108634963595
Energy: 1.4579225187874163
Energy: 1.4521362046326842
Energy: 1.428524124295284
Energy: 1.4525601231343084
Energy: 1.29816650346022
Energy: 1.416889115176538
Energy: 1.41749600890779
Energy: 1.4527539543452208
Energy: 1.4167475918793115
Energy: 1.440647584816816
Energy: 1.2977990386557203
Energy: 1.416999487722177
Energy: 1.4179269471371452
Energy: 1.3751994249068766
Energy: 1.4180394511004693
Energy: 1.430967252367912
Energy: 1.274215920177748
Energy: 1.3576325237520572
Energy: 1.4162212583382285
Energy: 1.3743467098331965
Energy: 1.4163094606466577
Energy: 1.3564042803118854
Energy: 1.2743214035649693
Energy: 1.3200619441083368
Energy: 1.4185831222230114
Energy: 1.29550081308509
Energy: 1.3199682953296217
Energy: 1.32005639988698
Energy: 1.3132960817054735
Energy: 1.3197833328120447
Energy: 1.3563935597956307
Energy: 1.2954796471833006
Energy: 1.320472897072933
Energy: 1.3195838205338861
Energy: 1.324442710974937
Energy: 1.3564569348113424
Energy: 1.4161791732901325
Energy: 1.3745086901979924
Energy: 1.4178412840204753
Energy: 1.3574818033516316
Energy: 1.373994745205301
Energy: 1.4380322794979858
Energy: 1.4397304201968502
Energy: 1.3757655766264698
Energy: 1.4399235583477399
Energy: 1.4374808640314514
Energy: 1.3747924546026313
Energy: 1.4373730080600617
Energy: 1.437714555170495
Energy: 1.4417101693277916
Energy: 1.4375209982616035
Energy: 1.4171860915671808
Energy: 1.3539248104500412
Energy: 1.4282530704733838
Energy: 1.3567462227978433
Energy: 1.3562688833440013
Energy: 1.4062872218899163
Energy: 1.4608299328207324
Energy: 1.2505933484089364
Energy: 1.3200980066011943
Energy: 1.3201619238210693
Energy: 1.31799081127245
Energy: 1.3199655613959778
Energy: 1.3851220762791596

minimum gb energy = 1.2505933484089364 eV
minimum distance =  2.16723382510376 Angstroms
sigma value = 27


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

Energy: 1.5268867733432527
Energy: 1.3885010031513239
Energy: 1.3677607370121554
Energy: 1.3181540518236445
Energy: 1.367517927077397
Energy: 1.5371700768323417
Energy: 1.2546214626701737
Energy: 1.38297747467648
Energy: 1.3684049843481592
Energy: 1.2662620515073635
Energy: 1.3651846732409318
Energy: 1.3762925264252004
Energy: 1.268685195117793
Energy: 1.3679793032540846
Energy: 1.384037007352519
Energy: 1.2662827717908576
Energy: 1.3675764302028957
Energy: 1.3687129569739929
Energy: 1.3187516411253013
Energy: 1.3661812328782947
Energy: 1.366036316442912
Energy: 1.2688663562776537
Energy: 1.3662176055803898
Energy: 1.366157186315932
Energy: 1.268494963912542
Energy: 1.3673361276994787
Energy: 1.3894030509793265
Energy: 1.2684225958634225
Energy: 1.3891050598954602
Energy: 1.3753867087484197
Energy: 1.3183827850837295
Energy: 1.3661224296769428
Energy: 1.3833160339055792
Energy: 1.2684974910949784
Energy: 1.3829077027683447
Energy: 1.3167019988661968
Energy: 1.3182302446100884
Energy: 1.3669415164591459
Energy: 1.3879292318282916
Energy: 1.5286337015614626
Energy: 1.36627415057057
Energy: 1.3668849083469936
Energy: 1.26564009006226
Energy: 1.3651501703773663
Energy: 1.3770735064982262
Energy: 1.2688681530326469
Energy: 1.3830515885638228
Energy: 1.2684505257500074
Energy: 1.2662957853508536
Energy: 1.367739959664141
Energy: 1.3686979186067108
Energy: 1.2684040535304597
Energy: 1.3677626705228505
Energy: 1.383805197500574
Energy: 1.2781049722888278
Energy: 1.3661693918301345
Energy: 1.3658516580155222
Energy: 1.3177732915193974
Energy: 1.366628256681759
Energy: 1.3658554216542895
Energy: 1.2685844269894369
Energy: 1.3891610989685617
Energy: 1.3681257588308928
Energy: 1.2688723808729732
Energy: 1.3673894461637448
Energy: 1.369526886274164
Energy: 1.268276559221066
Energy: 1.3832627612253292
Energy: 1.3656615117373223
Energy: 1.3185733910548063
Energy: 1.3659399712802334
Energy: 1.3771540510862494

minimum gb energy = 1.2546214626701737 eV
minimum distance =  2.22530994684521 Angstroms
sigma value = 9


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

Energy: 2.09621802068663
Energy: 1.2623578038310825
Energy: 1.2579235734330907
Energy: 1.3229659990354943
Energy: 1.257721401626244
Energy: 1.4298262588997155
Energy: 1.328221925777973
Energy: 1.4785030910552786
Energy: 1.2560559557814048
Energy: 1.2543372271291193
Energy: 1.2559792054992345
Energy: 1.3731768446047898
Energy: 1.3401387418729915
Energy: 1.4724517735142377
Energy: 1.477933764004811
Energy: 1.2940513621349166
Energy: 1.4737146238369985
Energy: 1.4141163005836854
Energy: 1.2407808985587034
Energy: 1.472879188627347
Energy: 1.4773595203577778
Energy: 1.2559049821690875
Energy: 1.4731129740812656
Energy: 1.4768613793146173
Energy: 1.2953060201047577
Energy: 1.4773018639730293
Energy: 1.472984507428885
Energy: 1.2995894194107895
Energy: 1.4730260596229747
Energy: 1.420722092667168
Energy: 1.2743465949761072
Energy: 1.2551016448672916
Energy: 1.484698739385852
Energy: 1.3017866457202587
Energy: 1.4502244416683947
Energy: 1.256034376607857
Energy: 1.2565871431570432
Energy: 1.2562436185572996
Energy: 1.3570826349789071
Energy: 1.4506489154704607
Energy: 1.255747240556014
Energy: 1.2555693635739364
Energy: 1.2516690643267154
Energy: 1.2548577337446074
Energy: 1.4492953192143583
Energy: 1.3018268653588028
Energy: 1.4497119749609568
Energy: 1.255236233982845
Energy: 1.256384894284494
Energy: 1.4492009164889341
Energy: 1.4494540620257892
Energy: 1.299446773876846
Energy: 1.4501587229959627
Energy: 1.2563913112640253
Energy: 1.2561552822366144
Energy: 1.4538629572782213
Energy: 1.4497257872793998
Energy: 1.2615389773956465
Energy: 1.4500507569408372
Energy: 1.440324792300464
Energy: 1.3323775737795203
Energy: 1.4507131689314445
Energy: 1.4537708795044024
Energy: 1.3448523925200657
Energy: 1.450571452505204
Energy: 1.3503749297453638
Energy: 1.3331925048208038
Energy: 1.450156160969654
Energy: 1.404385779303178
Energy: 1.2996820741516886
Energy: 1.3579082909506721
Energy: 1.4503730520533595
Energy: 1.971158694797754
Energy: 1.3559220938780434
Energy: 1.3572348879887135
Energy: 1.266842585953927
Energy: 1.3565914182474672
Energy: 1.4496520889088633
Energy: 1.333434104181407
Energy: 1.4427224038384359
Energy: 1.3568453560052467
Energy: 1.2703855775506225
Energy: 1.3577489333583685
Energy: 1.510196334762797
Energy: 1.3324722173469268
Energy: 1.4411313072785135
Energy: 1.3352064149280178
Energy: 1.2688527642735672
Energy: 1.3578995460826302
Energy: 1.39351727562941
Energy: 1.3430818502386006
Energy: 1.3570130411565524
Energy: 1.3581797709847268
Energy: 1.2693042293429095
Energy: 1.3581142936258837
Energy: 1.4228323379720187
Energy: 1.3291919652876267
Energy: 1.4059365992900086
Energy: 1.3597494627193911
Energy: 1.3213054090925247
Energy: 1.3578929132499027
Energy: 1.42310700235679
Energy: 1.3300934926999577
Energy: 1.4555711969477605
Energy: 1.3562708032509485
Energy: 1.3395777049529338
Energy: 1.455345299790652
Energy: 1.3319390325631772
Energy: 1.255968684887478
Energy: 1.4494368636130508
Energy: 1.4503501542557629
Energy: 1.4169984712264578
Energy: 1.4503341259378244
Energy: 1.3923625607885912
Energy: 1.2573777770101842
Energy: 1.449372820993218
Energy: 1.4559122998197143
Energy: 1.3003111232622937
Energy: 1.4494603636219738
Energy: 1.440666382617207
Energy: 1.2555880801329624
Energy: 1.2557477013035945
Energy: 1.4532013793508516
Energy: 1.3010484242492042
Energy: 1.450098060003775
Energy: 1.2564976499188478
Energy: 1.2527716270797518
Energy: 1.2554855293879912
Energy: 1.265343787496912
Energy: 1.2362946919342104
Energy: 1.2550404215377187
Energy: 1.2553631855678182
Energy: 1.274110387552493
Energy: 1.255155603178708
Energy: 1.3933658897862886
Energy: 1.3252392028708833
Energy: 1.2554293747391507
Energy: 1.2564969477699235
Energy: 1.29451893361435
Energy: 1.4796457503580223
Energy: 1.4889384796452532
Energy: 1.3000660919926013
Energy: 1.4769307124015156
Energy: 1.2557361067099106
Energy: 1.2935061082028947
Energy: 1.47275547751924
Energy: 1.4779419435778474
Energy: 1.256458911061813
Energy: 1.4730393416839342
Energy: 1.479004676665475
Energy: 1.294271205741956
Energy: 1.478401678336764
Energy: 1.4771412405575512
Energy: 1.2413166739144312
Energy: 1.4775274189705645
Energy: 1.4852100681771505
Energy: 1.3215097705687868
Energy: 1.479787557496954
Energy: 1.2562793953699387
Energy: 1.296025725564243
Energy: 1.2552626332278045
Energy: 1.30346991221578
Energy: 1.3340332866986921
Energy: 1.2547991114132628
Energy: 1.2548354406029814
Energy: 1.271890184392546
Energy: 1.254957551838953
Energy: 1.3545814696600895
Energy: 1.3282533983421283
Energy: 1.254879783368733
Energy: 1.2552690446567596
Energy: 1.2522293348107973
Energy: 1.2549332227747312
Energy: 1.4411331503557103
Energy: 1.3209958507228723
Energy: 1.4513036079708623
Energy: 1.2576400721810688
Energy: 1.25664113576533
Energy: 1.4484951097629597
Energy: 1.4987523048039342
Energy: 1.3449704458953298
Energy: 1.4536121688187906
Energy: 1.4500204420576701
Energy: 1.258245966277275
Energy: 1.4518476093950718
Energy: 1.454348735980677
Energy: 1.3445254000765594
Energy: 1.4497096927291273
Energy: 1.4570398408502068
Energy: 1.2621246991521027
Energy: 1.4509296970695877
Energy: 1.47005635280463
Energy: 1.3395496371156734
Energy: 1.3565076649028354
Energy: 1.4563975427741687
Energy: 1.3321531208850659
Energy: 1.4504790080114733
Energy: 1.3001150675493183
Energy: 1.2929581968652142
Energy: 1.3577503789133198
Energy: 1.3575908854336358
Energy: 1.2524855854059584
Energy: 1.3573449637313306
Energy: 1.355927342997024
Energy: 1.26942082751512
Energy: 1.357867340249174
Energy: 1.356817097904864
Energy: 1.3353620718995685
Energy: 1.3569994695103904
Energy: 1.3412116980952287
Energy: 1.263808670875341
Energy: 1.3585620043880087
Energy: 1.441963169808892
Energy: 1.3317017176375634
Energy: 1.4406668643314202
Energy: 1.2679962968937015
Energy: 1.2669137616704742
Energy: 1.3577987992979972
Energy: 1.4469394034988483
Energy: 1.3291869427790455
Energy: 1.3609682450106877
Energy: 1.3414342685604117
Energy: 1.2810431795100887
Energy: 1.357901234935122
Energy: 1.4222706456268628
Energy: 1.2587978271984257
Energy: 1.357119039371197
Energy: 1.2658105498564767
Energy: 1.3394190443518958
Energy: 1.3584611837533362
Energy: 1.4512496233125833
Energy: 1.3325126139680576
Energy: 1.4508787301933967
Energy: 1.3007863294941289
Energy: 1.2915843995219818
Energy: 1.449761168094168
Energy: 1.4604283960100581
Energy: 1.2616518890289365
Energy: 1.45054192495825
Energy: 1.4493814644016938
Energy: 1.3398277097646827
Energy: 1.4509482195523842
Energy: 1.4431955759542392
Energy: 1.257582523713589
Energy: 1.4519086664831242
Energy: 1.4541393489989571
Energy: 1.3401815061255424
Energy: 1.4515035948265607
Energy: 1.3919595247888055
Energy: 1.2565994853427398
Energy: 1.4496735607847686
Energy: 1.300254331220077
Energy: 1.325007611729156
Energy: 1.3932977457769296
Energy: 1.2540843987830912
Energy: 1.2518580541243907
Energy: 1.2552988875177082
Energy: 1.4569890503626193

minimum gb energy = 1.2362946919342104 eV
minimum distance =  2.19416699484775 Angstroms
sigma value = 57


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

Energy: 2.082445825506059
Energy: 1.054049932936967
Energy: 1.0603771287368084
Energy: 1.061316693379612
Energy: 1.0602000998256116
Energy: 1.0539743118543683
Energy: 1.030314752134415
Energy: 1.0601823433622395
Energy: 1.0620541313313496
Energy: 1.0346616612562796
Energy: 1.0612180573241488
Energy: 1.0380658376440897
Energy: 1.0364064969168054
Energy: 1.3957429898176545
Energy: 1.3961024037607903
Energy: 1.0379604424623885
Energy: 1.3953602167446646
Energy: 1.219952281149352
Energy: 1.0332144959892828
Energy: 1.3960227203519255
Energy: 1.395588582697794
Energy: 1.2836159566286338
Energy: 1.3960012417435674
Energy: 1.0318690885292303
Energy: 1.0333834753782283
Energy: 1.2847246423628917
Energy: 1.3949130859802947
Energy: 1.036761159673337
Energy: 1.395222565553622
Energy: 1.0596823040459948
Energy: 1.0334616308244566
Energy: 1.2223590824341477
Energy: 1.1740778563343708
Energy: 1.037048454673684
Energy: 1.2215307535904816
Energy: 1.0618244673450905
Energy: 1.0566092744093711
Energy: 1.059043110541111
Energy: 1.0601083481953137
Energy: 1.028907715577447
Energy: 1.0598174485589822
Energy: 1.0592716826879696
Energy: 1.0604848949126708
Energy: 1.2206695596014145
Energy: 1.059833830421136
Energy: 1.0371608775545753
Energy: 1.220525412428743
Energy: 1.2220716623728718
Energy: 1.0594561038934445
Energy: 1.0604625293411856
Energy: 1.0591604922725018
Energy: 1.0380859137786496
Energy: 1.0593378723756461
Energy: 1.0599387891819614
Energy: 1.0603240151720121
Energy: 1.0589813830730679
Energy: 1.3723443300977223
Energy: 1.0326475061846945
Energy: 1.0592425957837182
Energy: 1.0604167220810268
Energy: 1.0344352613237648
Energy: 1.2214662066936142
Energy: 1.2223597300334592
Energy: 1.031631376289655
Energy: 1.2235015897160937
Energy: 1.0368031232464958
Energy: 1.0378390994190199
Energy: 1.285193356182165
Energy: 1.396050879612109
Energy: 1.0362673649463587
Energy: 1.3965692865780694
Energy: 1.0583837671710916
Energy: 1.0365125483394892
Energy: 1.3960518868746974
Energy: 1.284497911006812
Energy: 1.0370410942423551
Energy: 1.2840075622911553
Energy: 1.395909205818138
Energy: 1.037255260937082
Energy: 1.4034636827504272
Energy: 1.2837708341751393
Energy: 1.0331241400269402
Energy: 1.396029485122332
Energy: 1.2833188296673441
Energy: 1.0374472144122786
Energy: 1.4037267461654346
Energy: 1.0582849772979823
Energy: 1.038192221640048
Energy: 1.0590513126782268
Energy: 1.403676299637869
Energy: 1.0283548468270058
Energy: 1.2204762577540997
Energy: 1.0586083382943223
Energy: 1.037695102246972
Energy: 1.0595932469098537
Energy: 1.2787618213575132
Energy: 1.0285948400204226
Energy: 1.2235256457560841
Energy: 1.2201491240432336
Energy: 1.0600227421565178
Energy: 1.221176388809824
Energy: 1.222936333459301
Energy: 1.0361196438331344
Energy: 1.0590312117553136
Energy: 1.0593415287663877
Energy: 1.0568252243402692
Energy: 1.0593050381430056
Energy: 1.39605465093431
Energy: 1.0303672489862115
Energy: 1.226811845933926
Energy: 1.2239969779846354
Energy: 1.0602829944422187
Energy: 1.2230245973516738
Energy: 1.2741651853740747

minimum gb energy = 1.0283548468270058 eV
minimum distance =  2.20661921712966 Angstroms
sigma value = 11


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

Energy: 1.7054310731365545
Energy: 0.963831637139882
Energy: 0.9714291270182276
Energy: 1.0649000154222599
Energy: 0.9699701941364238
Energy: 0.9640971625531677
Energy: 0.9593515098902539
Energy: 1.1997870992861204
Energy: 0.9810054189643326
Energy: 1.1596215317442242
Energy: 0.9802272694852939
Energy: 1.3819752783528216
Energy: 0.9674112227326942
Energy: 1.2032075139474567
Energy: 1.202240725000945
Energy: 1.1627013687226828
Energy: 1.201061594874769
Energy: 1.3813380016964918
Energy: 0.9589578180902533
Energy: 1.2028332443035124
Energy: 1.2023736481535496
Energy: 1.1623329494862804
Energy: 1.2013015254006436
Energy: 1.3757639197000366
Energy: 0.9593914260194945
Energy: 1.203005795568869
Energy: 1.2028431195886091
Energy: 1.1617149608248891
Energy: 1.201937094129936
Energy: 1.3762698956060775
Energy: 0.9664577662298962
Energy: 1.1998308325037252
Energy: 1.2199169504722023
Energy: 1.2012453578863307
Energy: 1.2034311237076165
Energy: 1.2007847239435911
Energy: 0.9649208940217314
Energy: 1.2002447228576296
Energy: 1.2009177159755202
Energy: 0.960839334355319
Energy: 1.1998660543473694
Energy: 1.1989013096278944
Energy: 0.9592688453361667
Energy: 1.2001129184049886
Energy: 1.2053005220263895
Energy: 1.2013738735369093
Energy: 1.2240524577242244
Energy: 1.2006594059416211
Energy: 0.9616674077189227
Energy: 0.9701566235367288
Energy: 1.1996258634195152
Energy: 1.0044881164180937
Energy: 1.1992850301899598
Energy: 0.9700599725270737
Energy: 0.9596811975468297
Energy: 0.9692305985592857
Energy: 0.9745947015788123
Energy: 1.136340995331316
Energy: 0.9735072678564661
Energy: 0.9689906211699502
Energy: 0.9716400043437267
Energy: 0.9697924756853276
Energy: 0.9699051708136603
Energy: 1.1988660072177664
Energy: 0.9734450423992846
Energy: 0.969900290801019
Energy: 0.9662683771194507
Energy: 0.9692758021043528
Energy: 0.9697686201996636
Energy: 1.201639634087163
Energy: 0.9685738147289262
Energy: 0.969503054956729
Energy: 0.9715992312267686
Energy: 0.9704632161447252
Energy: 0.9817727636623894
Energy: 1.3808228615626523
Energy: 0.9828438932847701
Energy: 0.9716735199848825
Energy: 0.9619328361035938
Energy: 0.9689108311035792
Energy: 0.9605948464124344
Energy: 1.1553921936094402
Energy: 0.9690119449616444
Energy: 0.9693820961958763
Energy: 0.9638478070665478
Energy: 0.9839211841345648
Energy: 1.1994912826018944
Energy: 1.2223966695718809
Energy: 1.1997214186993697
Energy: 0.9845304320353346
Energy: 0.9621079147563419
Energy: 1.2024587768272152
Energy: 1.2011663479359356
Energy: 1.2012512829558433
Energy: 1.2031094604946113
Energy: 1.2036344496721232
Energy: 0.9627169123734164
Energy: 1.201597365369218
Energy: 1.3766078928456262
Energy: 1.3778356918379122
Energy: 1.2014481131292765
Energy: 1.199827636728198
Energy: 0.9659106971863972
Energy: 1.1998144334934788
Energy: 1.3999791728061526
Energy: 1.3493866371553573
Energy: 1.2026675709674515
Energy: 1.1998907754231445
Energy: 0.9669152344376781
Energy: 1.2032527882933635
Energy: 1.2002428599477333
Energy: 1.353508507992089
Energy: 1.201353724118615
Energy: 1.220094733404656
Energy: 0.9630888710255651
Energy: 1.2013370226756277
Energy: 1.200140311519766
Energy: 1.1618410047410628
Energy: 1.2001923915277486
Energy: 1.2029224143000328
Energy: 0.9620138847631046
Energy: 1.2028570609784055
Energy: 1.2008010392688304
Energy: 0.9592492318942445
Energy: 1.20122219239053
Energy: 1.0900763251870735
Energy: 0.9625712768924863
Energy: 1.1993601253004353
Energy: 0.9798500840941985
Energy: 1.1621145117778775
Energy: 0.9700163431847144
Energy: 1.1995529465627526
Energy: 1.167303386011327
Energy: 0.9734761223498468
Energy: 0.9689410584795085
Energy: 0.9628350236822976
Energy: 0.9691947996638356
Energy: 1.2000153099317623
Energy: 1.1692780768694764
Energy: 0.9843681020796234
Energy: 0.9699990253014146
Energy: 0.9711941130135289
Energy: 0.9702286671359124
Energy: 1.2007748259443476
Energy: 0.9688686058053299
Energy: 0.9688385233811565
Energy: 0.9682654747246621
Energy: 0.9672319911788592
Energy: 0.968565930750495
Energy: 1.2026660364867612
Energy: 0.9641313818354732
Energy: 0.9699701061362277
Energy: 0.9699517062895306
Energy: 0.9723980415864355
Energy: 0.9703252963480002
Energy: 0.959380780356914

minimum gb energy = 0.9589578180902533 eV
minimum distance =  2.23581979869086 Angstroms
sigma value = 41


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

Energy: 1.8713734776615123
Energy: 0.8881937257276858
Energy: 0.8973621856453275
Energy: 0.8977680604134021
Energy: 0.8977050539538926
Energy: 1.2445315521468563
Energy: 1.625032902363241
Energy: 1.091135909906267
Energy: 0.9136382199717943
Energy: 1.0519841724207428
Energy: 0.9132294397527536
Energy: 1.2369079457261336
Energy: 1.6352068180900716
Energy: 1.092051433981569
Energy: 1.0921051972031908
Energy: 1.0535196027382059
Energy: 1.0922731487317716
Energy: 1.2367314752947896
Energy: 1.627759707553612
Energy: 1.0921030424769662
Energy: 1.091679830825639
Energy: 1.052986231097125
Energy: 1.0920314386859233
Energy: 1.2321513860280964
Energy: 1.6284101229833636
Energy: 1.092187696839215
Energy: 1.091934413033073
Energy: 1.2288167884744656
Energy: 1.0922367758060996
Energy: 1.2326726523940794
Energy: 1.6324366127736818
Energy: 1.238945356235309
Energy: 1.1158824657982838
Energy: 1.0919243557867857
Energy: 1.2396730923797745
Energy: 1.2387162529290963
Energy: 1.4284324869268754
Energy: 1.2395527034354847
Energy: 1.238647032587339
Energy: 1.2386615318015708
Energy: 1.2388507375858564
Energy: 1.2632742587369064
Energy: 1.214753178217263
Energy: 1.2389952024270836
Energy: 1.250852852205657
Energy: 1.0921191383146094
Energy: 1.251966221197765
Energy: 1.2316011268409988
Energy: 1.4277827319296268
Energy: 1.115051544487087
Energy: 1.2400677484387064
Energy: 1.2388539997550743
Energy: 1.2396743667724108
Energy: 1.092031279553461
Energy: 1.2232869495047967
Energy: 1.091980889750203
Energy: 1.092022494352743
Energy: 1.0888093006275257
Energy: 1.091927881412476
Energy: 1.092359499313299
Energy: 1.0625485660844889
Energy: 1.0917396955500167
Energy: 1.092039287252293
Energy: 1.227176088562376
Energy: 1.0920029032923455
Energy: 1.0923662317486182
Energy: 1.0627257455371064
Energy: 1.091612891638259
Energy: 1.091817946919434
Energy: 1.238367787454296
Energy: 1.0938709953808552
Energy: 1.0907780509501097
Energy: 1.0553156253864997
Energy: 0.8973240969180171
Energy: 0.8968492022354189
Energy: 1.2369667388429337
Energy: 0.9139532363451248
Energy: 0.8981255225911484
Energy: 0.8948702404592702
Energy: 0.8961716917665399
Energy: 1.0885401380069046
Energy: 1.088724102674153
Energy: 0.8972601947415444
Energy: 0.8963047090797415
Energy: 0.8976331332800683
Energy: 0.8973472862371225
Energy: 1.0911368222699827
Energy: 1.238288960782402
Energy: 0.8968769594283651
Energy: 0.897516697307351
Energy: 0.8974066701868026
Energy: 0.897609185909947
Energy: 1.0916677828850159
Energy: 1.2373265236703015
Energy: 0.8968126578550303
Energy: 0.8986656233826272
Energy: 0.8949323295233763
Energy: 0.8962143829187909
Energy: 0.8875859564397005
Energy: 1.235876721531673
Energy: 0.8981884448720598
Energy: 0.8964679971612264
Energy: 1.050689990290282
Energy: 0.8981095559900555
Energy: 0.8973078922563017
Energy: 1.2315184494644467
Energy: 0.9141957885332105
Energy: 0.8981743454396729
Energy: 1.0619281572008639
Energy: 1.0920204571809862
Energy: 1.2370699328565884
Energy: 1.2388492935632374
Energy: 1.0920529578201141
Energy: 1.0912488594425767
Energy: 1.0622785989939652
Energy: 1.0921610135802833
Energy: 1.0922257767606292
Energy: 1.2314124990234505
Energy: 1.0920315427665819
Energy: 1.0917470666002744
Energy: 1.2652522836802385
Energy: 1.0917085245605442
Energy: 1.2315964705437652
Energy: 1.2320684573774312
Energy: 1.092201486486974
Energy: 1.0924853896606228
Energy: 1.4300991113631358
Energy: 1.1154398112067632
Energy: 1.240031093125441
Energy: 1.2352409364487735
Energy: 1.2390616322538905
Energy: 1.091887493171974
Energy: 1.4320590965893478
Energy: 1.2384155572205207
Energy: 1.2353759611709676
Energy: 1.092017072964913
Energy: 1.2390634938396947
Energy: 1.238446449261638
Energy: 1.429504660228049
Energy: 1.2394463906416264
Energy: 1.238193388629627
Energy: 1.232236180340622
Energy: 1.2389446447626253
Energy: 1.2386569816912945
Energy: 1.6319284104492815
Energy: 1.2387706241142395
Energy: 1.257775559068339
Energy: 1.0925273699770077
Energy: 1.2404385770138588
Energy: 1.238554708732266
Energy: 1.420124602709638
Energy: 1.092133188590122
Energy: 1.0923746824217169
Energy: 1.0923608437018766
Energy: 1.0919857014981564
Energy: 1.0911489234758114
Energy: 1.416164665690696
Energy: 1.0921148792274267
Energy: 1.0919595512463764
Energy: 1.0531767862762258
Energy: 1.0920000020497345
Energy: 1.0920947379873986
Energy: 1.635537816488551
Energy: 1.0920277030953511
Energy: 1.0921200635543782
Energy: 1.0544232859081364
Energy: 1.0920699346408498
Energy: 1.2370685629466482
Energy: 1.6336796938563214
Energy: 1.0915099054420052
Energy: 0.9119246259901375
Energy: 1.0511541563624611
Energy: 0.9135100377071645
Energy: 1.0910608419517351
Energy: 1.6184187240074557
Energy: 0.8973497709128984
Energy: 0.8929927700930118
Energy: 0.8925211153957862
Energy: 0.8961558819211508
Energy: 1.0893456787892015
Energy: 1.428145633424923
Energy: 0.9137708595004821
Energy: 0.8977696199410277
Energy: 0.8980412958690329
Energy: 0.9127405732623591
Energy: 1.0914438574274525
Energy: 1.6346771795381403
Energy: 0.8964554065639025
Energy: 0.8965921636938461
Energy: 0.8966770519295312
Energy: 0.8966503094995145
Energy: 1.2371518017253562
Energy: 1.617131218599401
Energy: 0.8975497683114313
Energy: 0.8968440801559033
Energy: 0.8971851712836475
Energy: 0.8975805632817798
Energy: 0.887978928174287

minimum gb energy = 0.8875859564397005 eV
minimum distance =  2.22877603161273 Angstroms
sigma value = 33


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

Energy: 1.75249069990195
Energy: 0.7993003639974857
Energy: 0.8061498005340237
Energy: 0.9240729389696725
Energy: 0.8056610894675699
Energy: 1.0656470738469983
Energy: 1.7238429190311637
Energy: 0.9401713085487231
Energy: 0.8156256104862545
Energy: 0.9123062982661431
Energy: 0.8158361551361032
Energy: 1.06030865073447
Energy: 1.9096365993436217
Energy: 0.9409530199206165
Energy: 0.9404739375974863
Energy: 0.9159022166848576
Energy: 0.9399606123872978
Energy: 1.0667593067644854
Energy: 1.57407670557315
Energy: 0.9398451663515606
Energy: 0.9399695269127362
Energy: 0.916341332989962
Energy: 0.9397929324152933
Energy: 1.0556233206085643
Energy: 1.5737697111719715
Energy: 0.9397298137111411
Energy: 0.9396776277329612
Energy: 1.0428009448803206
Energy: 0.9398751125832845
Energy: 1.0561445427781408
Energy: 1.8884742527341756
Energy: 1.0645199792777502
Energy: 1.0752213152747676
Energy: 1.043206187274052
Energy: 1.0685910659974194
Energy: 1.0644347476160723
Energy: 1.7467682028179163
Energy: 1.079392775497239
Energy: 1.0664185519846625
Energy: 1.0653635919782398
Energy: 1.068467559249061
Energy: 1.0843356010394014
Energy: 1.461075480294021
Energy: 1.064664333886294
Energy: 1.0663196667716872
Energy: 0.9380700468184677
Energy: 1.0657131456995452
Energy: 1.0680033718876292
Energy: 1.7464013222273957
Energy: 1.0835550470617088
Energy: 1.0653155286123612
Energy: 1.0653976110914163
Energy: 1.0797569938494056
Energy: 1.0735831999517162
Energy: 1.6063606863704238
Energy: 1.0719323704396504
Energy: 1.0708471266616746
Energy: 1.0716727217598514
Energy: 1.0719023858196335
Energy: 1.0706473224354407
Energy: 1.3008089150323396
Energy: 1.0714720578674501
Energy: 1.0714716283331285
Energy: 1.0846763997907898
Energy: 1.0723501745723178
Energy: 1.0707297630422052
Energy: 1.3011553977759809
Energy: 1.071605627354909
Energy: 1.0709454787153956
Energy: 1.0705669774485114
Energy: 1.0714993795641798
Energy: 1.0810489061827013
Energy: 1.4376160299701977
Energy: 1.0653852280753564
Energy: 1.0847717586057475
Energy: 1.0747740391208431
Energy: 1.066870996912393
Energy: 1.065135276330178
Energy: 1.167681176644715
Energy: 1.0674548059669657
Energy: 1.0643605003833139
Energy: 1.070493934113364
Energy: 1.0648683195588742
Energy: 1.071361702397097
Energy: 1.0262304407194072
Energy: 1.0663709541759303
Energy: 1.0719802372845677
Energy: 1.0719934593603495
Energy: 1.0749797917385915
Energy: 1.0660626324911728
Energy: 1.1674019991860534
Energy: 0.9584665834750267
Energy: 1.065808670734469
Energy: 1.0659193106301625
Energy: 1.066429923891986
Energy: 1.042352878772613
Energy: 1.1646811973082314
Energy: 0.9389649567726511
Energy: 1.063718189072165
Energy: 1.064357567407781
Energy: 0.9394660793416688
Energy: 0.9396104018782422
Energy: 0.9201107665774678
Energy: 0.9408263147920116
Energy: 0.9667151765558003
Energy: 1.0746075418760372
Energy: 0.9410272851269816
Energy: 0.9398961872713795
Energy: 0.9203620631066843
Energy: 0.938547235694896
Energy: 0.9390226457629859
Energy: 1.064469925236229
Energy: 0.9392756790827255
Energy: 0.9384471336045174
Energy: 0.9147283297510262
Energy: 0.8027842103128146
Energy: 0.8043239074487323
Energy: 1.0687856913711287
Energy: 0.8034141896346861
Energy: 0.8032222706158392
Energy: 0.8010393500250422
Energy: 0.8026127477963385
Energy: 0.9381336071288667
Energy: 1.0644985975783023
Energy: 0.8024921340460461
Energy: 0.8028018083926813
Energy: 0.8037862541870451
Energy: 0.8030854236761704
Energy: 0.9388547288518257
Energy: 1.059168325235645
Energy: 0.8032843427728564
Energy: 0.8030056370650734
Energy: 0.8044788583407197
Energy: 0.8036275007857752
Energy: 1.0601542878801649
Energy: 1.0763364701155498
Energy: 0.8160319895375203
Energy: 0.8045142105341577
Energy: 0.8020258869528896
Energy: 0.8026130039695837
Energy: 1.0558469545756033
Energy: 1.0559752266262452
Energy: 0.802706873977564
Energy: 0.8028654926333687
Energy: 0.9130265174253961
Energy: 0.803635618509074
Energy: 0.9406375864600246
Energy: 1.0729456115128306
Energy: 0.8055380153801406
Energy: 0.909874433073112
Energy: 0.9225021693640302
Energy: 0.9395265150457955
Energy: 1.0590111355000165
Energy: 1.0649481516530444
Energy: 0.939259461565137
Energy: 0.9390885998457988
Energy: 0.9222616491235365
Energy: 0.940143665738543
Energy: 0.9397022494569645
Energy: 1.0862007716352882
Energy: 0.9403196915131993
Energy: 0.940625580772532
Energy: 1.1670371853896724
Energy: 0.9389536437118213
Energy: 1.0554792257057453
Energy: 1.0702638385764962
Energy: 0.9393365493598567
Energy: 0.9397551104084492
Energy: 1.1676461287128848
Energy: 0.9574756218161826
Energy: 1.0650487895164098
Energy: 1.070040655064736
Energy: 1.0652201527402159
Energy: 1.04040761289853
Energy: 1.1687990727737858
Energy: 1.065259557151669
Energy: 1.0837052216397676
Energy: 1.0735029373507874
Energy: 1.0862587131259382
Energy: 1.0657767069241442
Energy: 1.1677266006119833
Energy: 1.0649548069124164
Energy: 1.0680937095061733
Energy: 1.4626864345750044
Energy: 1.0656797114242689
Energy: 0.9571434484749275
Energy: 1.440359796343822
Energy: 1.0682544252979755
Energy: 1.0847749718609758
Energy: 1.0744627808111131
Energy: 1.085264747126299
Energy: 1.0652544857167818
Energy: 1.4429777961834904
Energy: 1.0712896756201657
Energy: 1.0708282703304428
Energy: 1.0709113716812242
Energy: 1.0713938890565489
Energy: 1.0711279057899388
Energy: 1.4428389989858326
Energy: 1.0713992660419953
Energy: 1.0713182246215718
Energy: 1.078938422405703
Energy: 1.072152518969184
Energy: 1.0710004037306509
Energy: 1.7232696121384876
Energy: 1.0713501120943618
Energy: 1.0711558183248635
Energy: 1.080334060367681
Energy: 1.072752292999355
Energy: 1.0705750865583779
Energy: 1.729490790143576
Energy: 1.0848926547461193
Energy: 1.0655370787883667
Energy: 1.0650023873402485
Energy: 1.0648818638526594
Energy: 1.0826294621239665
Energy: 1.6111944327330732
Energy: 1.0652427007842697
Energy: 1.0745427551655817
Energy: 1.043219922698475
Energy: 1.065136783823136
Energy: 1.0702051259481025
Energy: 1.770431387233401
Energy: 1.0837197687507831
Energy: 1.0652507940723719
Energy: 1.0194559555184777
Energy: 1.0712638088189472
Energy: 1.0820164374891856
Energy: 1.9089100145287665
Energy: 1.065130041903143
Energy: 0.9586992095364032
Energy: 1.0427203760075825
Energy: 1.0716334806499708
Energy: 1.0649488336793465
Energy: 1.720506742794189
Energy: 0.9397745021585378
Energy: 0.9396885605141935
Energy: 1.0429349649904622
Energy: 0.9390786598711122
Energy: 1.0636399275229511
Energy: 1.7211962706464483
Energy: 0.9406550613184582
Energy: 0.9395288466462054
Energy: 0.9393451764261154
Energy: 0.9400865128204441
Energy: 0.9631088913529795
Energy: 1.8887056992353368
Energy: 0.939391264003944
Energy: 0.9392143972175468
Energy: 0.9166505890465435
Energy: 0.9393057239435652
Energy: 1.05889080919402
Energy: 1.7207364399959635
Energy: 0.94094953172882
Energy: 0.8034339243138441
Energy: 0.9089258206065661
Energy: 0.8034266229361442
Energy: 0.9402255957490634
Energy: 1.9081573863544319
Energy: 0.8021343971428956
Energy: 0.8024738375331464
Energy: 0.8025435313957653
Energy: 0.802338622008876
Energy: 1.0642281705751697
Energy: 1.9096609931548645
Energy: 0.8174998868589672
Energy: 0.8037120087556257
Energy: 0.8042227247319157
Energy: 0.8031994583617938
Energy: 0.9391596336162523
Energy: 1.8911484515795278
Energy: 0.817502319045166
Energy: 0.8035967946936448
Energy: 0.8040983196422432
Energy: 0.8032260610137949
Energy: 1.058156026252085
Energy: 1.859764786084661
Energy: 0.8023415275533134
Energy: 0.8025052490435447
Energy: 0.801695547523338
Energy: 0.8025843170443626
Energy: 1.0560563974797486

minimum gb energy = 0.7993003639974857 eV
minimum distance =  2.24850945160046 Angstroms
sigma value = 67


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

Energy: 0.2780095672364245
Energy: 0.26234366390259567
Energy: 0.405508282946277
Energy: 0.4050466746112768
Energy: 0.40576649733141906
Energy: 0.26231484026455726
Energy: 0.247699613617469
Energy: 0.4035587837341096
Energy: 0.39048999274024515
Energy: 0.39062101735987587
Energy: 0.3954805209126258
Energy: 0.4041871867145388
Energy: 1.604897941485025
Energy: 0.3902737054175265
Energy: 0.39000169831845743
Energy: 0.3928479257386383
Energy: 0.3897788515184774
Energy: 0.38993544024999455
Energy: 0.24830969273162923
Energy: 0.38993294593109745
Energy: 0.3904826145799376
Energy: 0.3922506023750123
Energy: 0.38935384178995913
Energy: 0.24749944865911797
Energy: 0.24744160521359318
Energy: 0.38943269109201717
Energy: 0.3901461567823887
Energy: 0.3901610924966257
Energy: 0.38897934695349096
Energy: 0.24743447731671178
Energy: 1.6039968756672753
Energy: 0.3898231025252302
Energy: 0.3903789722498218
Energy: 0.3917176966967312
Energy: 0.3897287208292381
Energy: 0.38991096763488364
Energy: 0.24749579565536184
Energy: 0.3945319434723218
Energy: 0.3906108749714527
Energy: 1.2808706086898356
Energy: 0.3908861602775211
Energy: 0.3916015677986407

minimum gb energy = 0.24743447731671178 eV
minimum distance =  2.43767295153699 Angstroms
sigma value = 3


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

Energy: 1.9257019569290599
Energy: 0.8669818989986334
Energy: 0.8092727350525424
Energy: 0.8158732430977017
Energy: 0.8088326011995375
Energy: 1.0246692766066197
Energy: 1.8991315801719757
Energy: 0.8117596143263909
Energy: 0.8118967506355921
Energy: 0.818153410504967
Energy: 0.8117610740565803
Energy: 0.8132749114662161
Energy: 1.923254628026499
Energy: 0.8053793053099871
Energy: 0.8176405813130381
Energy: 0.8210580480593709
Energy: 0.8177117724652524
Energy: 0.808858671179673
Energy: 1.9604067988762703
Energy: 0.8148446113141005
Energy: 0.8119828852011316
Energy: 0.8153742909565501
Energy: 0.8121973229813243
Energy: 0.8592572125463767
Energy: 1.9600535723186983
Energy: 0.8110464459223072
Energy: 0.8113906140167008
Energy: 0.8120584110939404
Energy: 0.8114702795961541
Energy: 0.8591882724513901
Energy: 1.8057553337703447
Energy: 0.8055126330349971
Energy: 0.8123629724196586
Energy: 0.8153224884966311
Energy: 0.8116986074328147
Energy: 0.805547587275838
Energy: 1.884338779566697
Energy: 0.8130648849915088
Energy: 0.8136649815062506
Energy: 0.8142370489877423
Energy: 0.8136922469368542
Energy: 0.8131498762512706
Energy: 1.793920141811589
Energy: 0.8131515677691065
Energy: 0.9133092439704155
Energy: 0.8135936006664374
Energy: 0.9123102830844101
Energy: 1.037498643243231
Energy: 1.8310935730690099
Energy: 0.8086484950244399
Energy: 0.8204315379958497
Energy: 0.8156854957994006
Energy: 0.9031012033035459
Energy: 0.8138593587460236
Energy: 1.7911251163900213
Energy: 0.9290482132028928
Energy: 0.9120880805434105
Energy: 0.814442109502164
Energy: 0.9122872405132814
Energy: 1.0222715858779365
Energy: 1.724254965488208
Energy: 1.0244824979235136
Energy: 1.0260554013870513
Energy: 0.9269955539990251
Energy: 1.0268299451974514
Energy: 1.0265671939357923
Energy: 1.72497164001626
Energy: 1.022859837901887
Energy: 1.0231902973638571
Energy: 0.9397093183298292
Energy: 1.0248891242985714
Energy: 1.0235942767611184
Energy: 1.6693934345543093
Energy: 1.0222239450899753
Energy: 1.0219092353619883
Energy: 0.8730188907308514
Energy: 1.024793226818604
Energy: 1.0255245686117038
Energy: 1.668707507069711
Energy: 1.033091921563526
Energy: 1.0374659194461409
Energy: 1.025428666449605
Energy: 1.0362615724112598
Energy: 1.032436876602146
Energy: 1.5323345701633815
Energy: 1.0380559346108305
Energy: 1.0048015658477998
Energy: 1.0826574903254587
Energy: 1.033570035047536
Energy: 0.9997805599782317
Energy: 1.4251913287744002
Energy: 1.044489851474629
Energy: 1.0370011217496762
Energy: 1.0171401958833655
Energy: 1.0394758715293708
Energy: 1.0429564864658292
Energy: 1.424865432289078
Energy: 1.0369853238977105
Energy: 1.0324238019237824
Energy: 1.032705776261288
Energy: 1.0353946653162842
Energy: 0.9869553850693868
Energy: 1.4308827428540063
Energy: 0.9865116998375713
Energy: 0.9858677983688287
Energy: 1.0372170210591136
Energy: 0.986058201383103
Energy: 0.9844308670838186
Energy: 1.430593849956771
Energy: 0.986743860497871
Energy: 0.9871310711885052
Energy: 1.028768825299531
Energy: 0.98857220246715
Energy: 0.9864707980259457
Energy: 1.1725221964880188
Energy: 0.9873228478213408
Energy: 0.9876702430623482
Energy: 1.0312267549055318
Energy: 0.9880832837734743
Energy: 0.9879726528822678
Energy: 1.1774926603334672
Energy: 0.8177311145648337
Energy: 0.8139700549808168
Energy: 1.030082695531466
Energy: 0.8183363044639458
Energy: 0.9666794111017054
Energy: 1.203009859864635
Energy: 0.8179759654553258
Energy: 1.0058577251573417
Energy: 0.8130799949338553
Energy: 0.8170124749289612
Energy: 0.8158429883400456
Energy: 0.9955148358850678
Energy: 0.9731272097703788
Energy: 1.0238606072841872
Energy: 1.0331179806859783
Energy: 0.9778952534177558
Energy: 0.9715900503635789
Energy: 0.9998921718954461
Energy: 0.8167870273087332
Energy: 1.0061014585099235
Energy: 0.8133069379246942
Energy: 0.8171217470328841
Energy: 0.816205580050679
Energy: 1.008954680041592
Energy: 0.8048451007051111
Energy: 0.8018682031424805
Energy: 1.0295797068147157
Energy: 0.8051650108492415
Energy: 0.8058331043530663
Energy: 0.9940079519427797
Energy: 0.8007202599016298
Energy: 0.8029172001430059
Energy: 1.012596297651355
Energy: 0.8004204403030271
Energy: 0.8006203764232996
Energy: 0.8645352697304637
Energy: 0.8012019951950888
Energy: 0.8004514961401183
Energy: 1.010603025851544
Energy: 0.8005970447062264
Energy: 0.8019300119668291
Energy: 0.8795180981545655
Energy: 0.8113904058314888
Energy: 0.8016166316016693
Energy: 0.810072260186186
Energy: 0.811164951878929
Energy: 0.8114872802241215
Energy: 0.8757853186342178
Energy: 0.8142133838987715
Energy: 0.8151026852109907
Energy: 0.809785243631748
Energy: 0.8144378624156948
Energy: 0.8145991053194761
Energy: 0.9659310196140021
Energy: 0.8712289130523647
Energy: 0.8060054269821636
Energy: 1.0327628303463328
Energy: 0.8686566397343279
Energy: 0.8162496145094439
Energy: 0.9469832697612085
Energy: 0.8149744647989011
Energy: 0.8184836104311239
Energy: 0.8139976831346759
Energy: 0.8212044892937469
Energy: 0.8163536117122132
Energy: 0.9376180450360012
Energy: 0.8141245219781109
Energy: 0.9021316566359656
Energy: 0.8098125915176861
Energy: 0.8040130612002913
Energy: 0.8143622817533018
Energy: 0.9265940163478648
Energy: 0.870911240383304
Energy: 0.8750008610409301
Energy: 1.03704242031657
Energy: 0.8704266244874437
Energy: 0.8719378902474584
Energy: 1.1851483933041482
Energy: 0.8700124729512931
Energy: 0.870276271219019
Energy: 1.017238911127623
Energy: 0.8703653991551534
Energy: 0.8731905862678754
Energy: 1.1951790875808093
Energy: 0.8700257453831739
Energy: 0.8706381109516057
Energy: 1.030911875161365
Energy: 0.8704300470847566
Energy: 0.8723721860651058
Energy: 1.1816555809028402
Energy: 1.0219245752777157
Energy: 1.0221192349321866
Energy: 1.0225522713683732
Energy: 1.0216854598505924
Energy: 0.8854466240278115
Energy: 1.4219383590517873
Energy: 1.0294868537328843
Energy: 1.0401113440778935
Energy: 1.0312346599270277
Energy: 1.024863931094049
Energy: 1.0230735879018222
Energy: 1.404102632860631
Energy: 0.885284456831219
Energy: 0.8883806126808175
Energy: 1.0355578344893028
Energy: 0.8863650018360519
Energy: 0.8848087757993401
Energy: 1.4227197758434245
Energy: 1.025828692048333
Energy: 1.0357308922401738
Energy: 1.0334441157368093
Energy: 1.0302188562615904
Energy: 1.025984177648005
Energy: 1.4241542422631845
Energy: 1.033074917691963
Energy: 1.0385714020158965
Energy: 0.9844729197852822
Energy: 1.03652174250959
Energy: 1.0334282834373274
Energy: 1.6045274989045077
Energy: 1.0347893244235844
Energy: 1.0333245518034677
Energy: 1.0337110436711343
Energy: 1.035806440739016
Energy: 1.0340288542787697
Energy: 1.60429376308293
Energy: 1.0356547229224222
Energy: 1.0332762482648972
Energy: 1.0276521957807447
Energy: 1.0359624621803953
Energy: 1.0346692518474063
Energy: 1.6675970511258769
Energy: 1.0270634450222493
Energy: 1.0244521307921486
Energy: 0.9408613498780745
Energy: 1.0256958645640877
Energy: 1.0364235109961182
Energy: 1.7925456043209005
Energy: 1.022500092746481
Energy: 1.0226112295586578
Energy: 0.9290612163947043
Energy: 1.022838374317908
Energy: 0.9403407870183562
Energy: 1.6623545941082245
Energy: 1.038668905295523
Energy: 1.024695130166342
Energy: 0.9275086079972444
Energy: 1.0229996993833999
Energy: 1.0369871463371758
Energy: 1.8101242069492873
Energy: 1.0226150709375066
Energy: 0.9263726625181917
Energy: 0.9278898720772166
Energy: 1.023525398813821
Energy: 1.0226882135466169
Energy: 1.8067940376619107
Energy: 0.9114093059088094
Energy: 0.8155824209047127
Energy: 0.8156987679969729
Energy: 0.8133640034858783
Energy: 0.8175283664385475
Energy: 1.8427829250886025
Energy: 0.8128457096353969
Energy: 0.9123901320478287
Energy: 0.8146383501084804
Energy: 0.9125631216407543
Energy: 0.9643197320978276
Energy: 1.842671523193509
Energy: 0.9161536046451925
Energy: 0.9146739059028721
Energy: 0.8129652485640471
Energy: 0.9123970786578165
Energy: 0.9630636416142827
Energy: 1.8051524210216028
Energy: 0.805869953165503
Energy: 0.8111018764704506
Energy: 0.8115990247758776
Energy: 0.8113957330098941
Energy: 0.8100749197670172
Energy: 1.905110209320203
Energy: 0.8113838555772636
Energy: 0.8116420634125036
Energy: 0.8165194042367692
Energy: 0.811573356926911
Energy: 1.0017866178132893

minimum gb energy = 0.8004204403030271 eV
minimum distance =  2.16675390168704 Angstroms
sigma value = 81


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

Energy: 2.081250468051468
Energy: 0.982762337143117
Energy: 0.9055203388382566
Energy: 0.9094204247951339
Energy: 0.9053612333327135
Energy: 1.170052893190384
Energy: 1.7067868514689124
Energy: 0.9089742473155027
Energy: 0.9076259455908605
Energy: 0.907684530830422
Energy: 0.9078594802020233
Energy: 0.9080361646682001
Energy: 1.6022512208026256
Energy: 0.9037104037386596
Energy: 0.912092122735389
Energy: 0.9122879617891747
Energy: 0.9124895326053324
Energy: 0.9038225416367469
Energy: 1.650542757588817
Energy: 0.9090214008301012
Energy: 0.9080218597385047
Energy: 0.9079326381619969
Energy: 0.9079790375570829
Energy: 0.9000363328683415
Energy: 1.6425478679799503
Energy: 0.9079058683321338
Energy: 0.9068681066507025
Energy: 0.9082080815331258
Energy: 0.907111982115415
Energy: 0.9014168049948507
Energy: 1.602548087509651
Energy: 0.9037477711089099
Energy: 0.9070603931073634
Energy: 0.908265639135336
Energy: 0.9068307564122977
Energy: 0.9031499168787774
Energy: 1.630224889984864
Energy: 0.911433879258139
Energy: 0.9097070482548641
Energy: 0.9159300301054941
Energy: 0.9118187046294526
Energy: 0.9115950411266401
Energy: 1.9127350959678433
Energy: 0.9105127252036992
Energy: 1.0715683807077696
Energy: 0.911608587935992
Energy: 1.0724286856384044
Energy: 0.9079671473761164
Energy: 1.631484251336961
Energy: 1.0282761458232008
Energy: 0.9110728527652785
Energy: 0.9014269213777488
Energy: 0.9099243746801056
Energy: 0.9118374977555912
Energy: 1.593159403040822
Energy: 1.1317481853916627
Energy: 0.9107550895004952
Energy: 0.9107429078997963
Energy: 0.9114879425106884
Energy: 1.1327412947632878
Energy: 1.4989128052056102
Energy: 1.1329344131456245
Energy: 1.1718094631469294
Energy: 1.0730168800817175
Energy: 1.1321087575783206
Energy: 1.1283767340688642
Energy: 1.5942169783865803
Energy: 1.131030464580746
Energy: 1.1677589867255789
Energy: 0.983726517771361
Energy: 1.1683016241131685
Energy: 1.1312672988980166
Energy: 1.4195029303684479
Energy: 1.1322640418343968
Energy: 1.1690955565650618
Energy: 0.8978197467457674
Energy: 1.169510658552296
Energy: 0.8926620076972762
Energy: 1.4221255302662978
Energy: 0.9035838218398877
Energy: 1.1709838370595675
Energy: 1.1579789573126003
Energy: 1.1158918874445276
Energy: 1.111099701875208
Energy: 1.4232970511063134
Energy: 0.9037067181595527
Energy: 1.1554665937635806
Energy: 0.8975655938115505
Energy: 0.904925209031581
Energy: 0.9032831551937209
Energy: 1.225989488330922
Energy: 1.1117136435741426
Energy: 1.1721227641550038
Energy: 0.9009381389264458
Energy: 0.8925720455839083
Energy: 1.1246515230647778
Energy: 1.1646152409216703
Energy: 0.90323162278332
Energy: 0.904602771554035
Energy: 1.2153231853746358
Energy: 0.904501121034778
Energy: 0.9035121076539352
Energy: 1.167499896389862
Energy: 0.8952057158070008
Energy: 0.8927201458657962
Energy: 1.1670667552147043
Energy: 0.8949456054642517
Energy: 0.896914324703588
Energy: 1.159665471688517
Energy: 0.8925794200485045
Energy: 0.8929846265729481
Energy: 1.1669067865391485
Energy: 0.8923165755935637
Energy: 0.8924500648599464
Energy: 0.9816794166855646
Energy: 0.8924352506138193
Energy: 0.8930900627170539
Energy: 1.1659298968368415
Energy: 0.8926528345081411
Energy: 0.8925276545910578
Energy: 0.996023714799978
Energy: 0.900291397932505
Energy: 0.894787924164403
Energy: 0.8944226883220312
Energy: 0.9066007076052423
Energy: 0.9019225300830694
Energy: 0.9912244068229171
Energy: 0.9052616235896981
Energy: 0.9071399471582313
Energy: 1.158371196081639
Energy: 0.9041737169186344
Energy: 0.9035618984157724
Energy: 0.9873984709212372
Energy: 0.9824880635681549
Energy: 1.055172526761994
Energy: 1.105817300294139
Energy: 0.9827266378819127
Energy: 0.9818792845828308
Energy: 1.0881663549430436
Energy: 0.9034182719045949
Energy: 0.9113697312936692
Energy: 1.2195309568475408
Energy: 0.9040578569766805
Energy: 0.9040718591581953
Energy: 1.0803027863281682
Energy: 0.9034495845696858
Energy: 0.8978898271760509
Energy: 0.8946179902174339
Energy: 0.9104686686801026
Energy: 0.9035803009749498
Energy: 1.0731352651527162
Energy: 0.9915437972550945
Energy: 0.9850109877441703
Energy: 0.9051504602141268
Energy: 0.9850627483687516
Energy: 0.9839391119739501
Energy: 1.423725819878752
Energy: 0.985599546716039
Energy: 0.9850443948058553
Energy: 0.9054761053180969
Energy: 0.9850178229080245
Energy: 0.9851186258517206
Energy: 1.3394246737392943
Energy: 0.9854389818890785
Energy: 0.9848087144388751
Energy: 1.200265844120596
Energy: 0.9853630548460047
Energy: 0.9842147701178073
Energy: 1.4233174242450797
Energy: 0.9844565769672994
Energy: 1.1707583416945802
Energy: 0.9083010866530625
Energy: 1.1708793494125775
Energy: 0.9839484590445277
Energy: 1.4243775162137848
Energy: 1.1819723446380883
Energy: 0.9096336356099547
Energy: 0.9034967530444835
Energy: 1.1745540554274898
Energy: 1.1712597864162548
Energy: 1.6645246676382988
Energy: 1.1737454872045816
Energy: 1.1706607825115642
Energy: 1.1939357686473346
Energy: 1.1711628203192137
Energy: 0.8983587042769812
Energy: 1.5232899591668558
Energy: 1.170609379684746
Energy: 0.9094040277515252
Energy: 1.0649294297601353
Energy: 1.1732620682575838
Energy: 1.17067403502759
Energy: 1.602724531886707
Energy: 0.9081276373203327
Energy: 0.9081952762151543
Energy: 0.9079638662998265
Energy: 0.9113446654902748
Energy: 1.172460170478382
Energy: 1.6860171725274877
Energy: 0.9084013896392681
Energy: 0.9079845356766654
Energy: 0.910683411537877
Energy: 0.90811430240819
Energy: 1.1071815031399495
Energy: 1.6700767775061023
Energy: 0.9084723300890761
Energy: 0.9084214220177356
Energy: 0.91192211302135
Energy: 0.909608114060791
Energy: 0.8993167707388199
Energy: 1.6024987233954564
Energy: 0.910698180121535
Energy: 0.907145916089649
Energy: 0.9079098961638706
Energy: 0.9094499523160752
Energy: 0.904335097802154
Energy: 1.6445949241277567
Energy: 1.030084265127251
Energy: 1.0274276871801196
Energy: 0.9102151191275872
Energy: 1.0278843492633547
Energy: 0.9049386069794637
Energy: 2.0812191268134614
Energy: 0.9082581427457501
Energy: 0.907534064888542
Energy: 0.9043697442907427
Energy: 0.9084095243791331
Energy: 1.1696596294425445

minimum gb energy = 0.8923165755935637 eV
minimum distance =  2.29489049314182 Angstroms
sigma value = 43


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

Energy: 1.8793617026219198
Energy: 0.9778617800866007
Energy: 0.9633652370107293
Energy: 0.9635281518662501
Energy: 0.9630289046580025
Energy: 0.9610010662482963
Energy: 1.4065700629555307
Energy: 0.9631615160540792
Energy: 0.9627475143902264
Energy: 0.9629114317800939
Energy: 0.9629437333664725
Energy: 1.1386938609374748
Energy: 1.4148270596494625
Energy: 1.1084346111735959
Energy: 0.9666296408531166
Energy: 0.9655889266690436
Energy: 0.9693891013650971
Energy: 0.960579620243318
Energy: 1.4361322027432508
Energy: 0.9643731792904883
Energy: 0.9644976381444729
Energy: 0.9651107897333192
Energy: 0.9642461271215786
Energy: 1.1695445065452676
Energy: 1.4361332749710243
Energy: 0.9649541004444335
Energy: 0.9629374850748016
Energy: 0.9635966463312345
Energy: 0.9640202145412122
Energy: 0.9627396337408894
Energy: 1.4462093925192996
Energy: 0.9629985358921269
Energy: 0.9626345929120894
Energy: 0.9626676422105005
Energy: 0.9625577780913104
Energy: 0.9608298509517834
Energy: 1.45035056298627
Energy: 1.138053310790706
Energy: 0.9664457587425311
Energy: 0.9667027550691166
Energy: 0.9664200776637394
Energy: 1.1388744802767823
Energy: 1.608652327309169
Energy: 0.966434889456207
Energy: 1.1638783548079616
Energy: 0.9722628259404328
Energy: 0.9664143310922688
Energy: 0.9666933161303155
Energy: 1.4524898600284843
Energy: 0.9658076095297594
Energy: 0.9660824834578163
Energy: 0.9572571672799619
Energy: 0.9665628246253395
Energy: 0.9664564219605254
Energy: 1.41122048916163
Energy: 0.9665063145679141
Energy: 0.9664404457161323
Energy: 0.9668177957585806
Energy: 0.9665035832849762
Energy: 0.9664407331196209
Energy: 1.41266382288504
Energy: 0.9667114640162257
Energy: 0.9666188113105283
Energy: 0.963462136756083
Energy: 0.9663814441256369
Energy: 0.9664904777806419
Energy: 1.412865964628053
Energy: 0.9665955502775294
Energy: 0.9663958630775714
Energy: 0.9581579816971487
Energy: 0.966387443189092
Energy: 0.9664735876547424
Energy: 1.1833294585733931
Energy: 0.9663986940510737
Energy: 0.9594668278979722
Energy: 0.9578571196503419
Energy: 0.9663467429355973
Energy: 0.9696662150003209
Energy: 1.1816621184945475
Energy: 0.9638033295932966
Energy: 0.9609007279743643
Energy: 0.96171559059792
Energy: 1.255003621025144
Energy: 0.9639799920401364
Energy: 1.1844330524728761
Energy: 0.9631710616735627
Energy: 1.1085863729041636
Energy: 0.9636998264995703
Energy: 1.1089234830545438
Energy: 0.9622009863133633
Energy: 0.969563142273663
Energy: 0.9641713138147155
Energy: 0.9580552827749526
Energy: 0.9579995723575848
Energy: 0.9665772755498137
Energy: 0.9640851908532838
Energy: 0.9604503438439299
Energy: 0.9623535470702508
Energy: 0.962797958292109
Energy: 0.9581678140914451
Energy: 0.9624965850321486
Energy: 0.9623358011875459
Energy: 0.9638223385007422
Energy: 0.9646516016505591
Energy: 0.9621553109574293
Energy: 0.9617173914313863
Energy: 1.1087197074751085
Energy: 0.964207541431469
Energy: 0.9631397119122058
Energy: 0.9637817541955161
Energy: 0.9643726746431908
Energy: 1.1681224218990711
Energy: 0.964467279759327
Energy: 0.9633864261164886
Energy: 1.183238088308103
Energy: 0.9641130235922359
Energy: 0.9642896878639631
Energy: 1.1679228539695723
Energy: 0.9640520198354566
Energy: 0.9647289407076173
Energy: 1.18758428196007
Energy: 0.9630788031013293
Energy: 0.960785898913616
Energy: 0.9663079106505187
Energy: 0.9622605040934101
Energy: 1.1083535926309256
Energy: 1.179390511790428
Energy: 0.9664756788370309
Energy: 1.137985529160004
Energy: 1.1701214166815395
Energy: 1.1377786190443984
Energy: 0.9663536558987947
Energy: 1.1821756390879643
Energy: 0.9662944423055069
Energy: 1.0975245590701896
Energy: 1.1059906596760258
Energy: 1.2685996394200951
Energy: 0.9665189215300516
Energy: 1.3967829978907789
Energy: 0.9665619004798638
Energy: 0.9663639577013421
Energy: 1.153320296531599
Energy: 0.9663092926336729
Energy: 0.9664605276707476
Energy: 1.4115306976365996
Energy: 0.9665932333648821
Energy: 0.9664709548232746
Energy: 0.9662700763139381
Energy: 0.9662709449625244
Energy: 0.9667727847219632
Energy: 1.4404461639715127
Energy: 1.266018150228532
Energy: 0.9664387831992168
Energy: 0.9663373711792134
Energy: 0.9665296692028075
Energy: 0.9663071837821012
Energy: 1.4069384683713464
Energy: 1.1384693168992028
Energy: 0.9666700561958963
Energy: 0.9667421224246979
Energy: 0.9664977440559834
Energy: 0.9662142842560884
Energy: 1.4048945491908
Energy: 0.966345239546006
Energy: 0.9665026464813441
Energy: 0.9699335212683367
Energy: 0.9665308582703181
Energy: 0.9583694830739555
Energy: 1.4503738487142506
Energy: 0.9664932145436358
Energy: 0.9637170300478655
Energy: 0.9638811347948163
Energy: 0.9639830141290205
Energy: 0.9608178740818168
Energy: 1.4117124537610661
Energy: 0.9612219698019951
Energy: 1.1087798725019768
Energy: 0.9623919545641235
Energy: 1.1091890657046148
Energy: 0.9605482224305091
Energy: 1.8806949642051876
Energy: 0.9665665399458117
Energy: 0.9636326503819261
Energy: 0.9668772549102687
Energy: 0.9638415863870603
Energy: 0.9602714936286331

minimum gb energy = 0.9572571672799619 eV
minimum distance =  2.28199285972789 Angstroms
sigma value = 57


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

Energy: 1.666106297415299
Energy: 1.0747885835116535
Energy: 1.0613055107056346
Energy: 1.054098106910095
Energy: 1.059164641872874
Energy: 1.3935063320435213
Energy: 1.0436842583666008
Energy: 1.0457244116871975
Energy: 1.0437042843573041
Energy: 1.0439719348529697
Energy: 1.0435353123183722
Energy: 1.257000329466479
Energy: 1.0573395567878363
Energy: 1.0495252710549074
Energy: 1.0485508374405867
Energy: 1.047264597977328
Energy: 1.0490920763097387
Energy: 1.0438842403836939
Energy: 1.0399273134357754
Energy: 1.050594152955883
Energy: 1.0477452386521449
Energy: 1.0526581723842723
Energy: 1.0474174049140381
Energy: 1.2520317118742545
Energy: 1.041459176669718
Energy: 1.0507856535546092
Energy: 1.047441053795341
Energy: 1.0641535594708385
Energy: 1.0481556046826863
Energy: 1.252458463587099
Energy: 1.056908986755639
Energy: 1.0472193951727766
Energy: 1.0442698318278147
Energy: 1.0440180404953894
Energy: 1.045821799941184
Energy: 1.2881185845548357
Energy: 1.0635563004633886
Energy: 1.2570628310870982
Energy: 1.048628959203819
Energy: 1.0486083643887367
Energy: 1.049409017570776
Energy: 1.258820794183475
Energy: 1.3535443028762058
Energy: 1.257431641537872
Energy: 1.2871560725109712
Energy: 1.0633380034030582
Energy: 1.2584355029638676
Energy: 1.0475011892664714
Energy: 1.060451082524644
Energy: 1.2570562219717196
Energy: 1.0396579664577168
Energy: 1.0396702317992441
Energy: 1.1553204838373565
Energy: 1.2857514144419153
Energy: 1.0643813349812024
Energy: 1.048523830616871
Energy: 1.2587239974695332
Energy: 1.0410681825191006
Energy: 1.1543233248849127
Energy: 1.0485761103234983
Energy: 1.0451877474857858
Energy: 1.0443685472117357
Energy: 1.1715520640627672
Energy: 1.1037901110092316
Energy: 1.0474957847303479
Energy: 1.0440513336758646
Energy: 1.061031406548552
Energy: 1.0473761178923924
Energy: 1.0487268148747206
Energy: 1.043612434495358
Energy: 1.0500968177464594
Energy: 1.047255443206207
Energy: 1.049800570036404
Energy: 1.0490334989320087
Energy: 1.0411318283078665
Energy: 1.0403555184238844
Energy: 1.0509061708918246
Energy: 1.0489266609881231
Energy: 1.0455997032631454
Energy: 1.048435700022534
Energy: 1.0496154029041358
Energy: 1.0605338067942216
Energy: 1.050369380497483
Energy: 1.0476271479428951
Energy: 1.0432717426927287
Energy: 1.0430347762673806
Energy: 1.046195194786173
Energy: 1.0610118617708106
Energy: 1.045101392310192
Energy: 1.0431850543255428
Energy: 1.0562489700911326
Energy: 1.0484519997387463
Energy: 1.1509919146915994
Energy: 1.0427290146553136
Energy: 1.0497407063096622
Energy: 1.0493986394254367
Energy: 1.0454262988236187
Energy: 1.0451700740025247
Energy: 1.0462494142910332
Energy: 1.0489159678767073
Energy: 1.0466799892119063
Energy: 1.044548617566228
Energy: 1.0456086925737675
Energy: 1.0466982975691295
Energy: 1.2567476336776668
Energy: 1.060966375868577
Energy: 1.0516459444134199
Energy: 1.0454315660320417
Energy: 1.0582686604559894
Energy: 1.0485937361394586
Energy: 1.2578651969198709
Energy: 1.0488194383386744
Energy: 1.1542580802572546
Energy: 1.0493744443924955
Energy: 1.0625298379901529
Energy: 1.2577574846395159
Energy: 1.2573278143865148
Energy: 1.0489739441662818
Energy: 1.1547716127113412
Energy: 1.25939679188513
Energy: 1.0405800399814118
Energy: 1.3884457002815283
Energy: 1.0473511986665596
Energy: 1.0501986134036865
Energy: 1.154499599379723
Energy: 1.0407742978266619
Energy: 1.0616412147548429
Energy: 1.1547580863808211
Energy: 1.047999718218118
Energy: 1.0502094615095074
Energy: 1.050145479888692
Energy: 1.2557986287641183
Energy: 1.057769966970074
Energy: 1.0432106306440019
Energy: 1.2345096005780816
Energy: 1.0445661426083466
Energy: 1.2346687266047685
Energy: 1.095648196622965
Energy: 1.0422719220178478
Energy: 1.0507112666007699
Energy: 1.0480655581781493
Energy: 1.063241509285897
Energy: 1.0479175435924315
Energy: 1.040233596248625

minimum gb energy = 1.0396579664577168 eV
minimum distance =  2.24961453352262 Angstroms
sigma value = 17


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

Energy: 2.0024269666887813
Energy: 1.5780035229530633
Energy: 1.201147460090668
Energy: 1.1673561314241045
Energy: 1.1991380247417265
Energy: 1.5779214760090543
Energy: 1.1590422569637753
Energy: 1.3971423588620886
Energy: 1.1655670312464108
Energy: 1.164631690198375
Energy: 1.165595230100419
Energy: 1.3946338497618629
Energy: 1.1985060108485963
Energy: 1.3999768499876823
Energy: 1.1590122783685581
Energy: 1.160243262930785
Energy: 1.1587253484409712
Energy: 1.5710388136193345
Energy: 1.571652423155316
Energy: 1.3948864321976304
Energy: 1.1718514709250316
Energy: 1.175212278029577
Energy: 1.1708853819480582
Energy: 1.394858145642176
Energy: 1.5754495585760429
Energy: 1.3956855111559572
Energy: 1.3934001675508079
Energy: 1.1763511754753355
Energy: 1.3942891270561277
Energy: 1.3998742627589684
Energy: 1.1989078439345067
Energy: 1.2704572672002674
Energy: 1.396336984038712
Energy: 1.1513802124702583
Energy: 1.3944621449629062
Energy: 1.4067012926275888
Energy: 1.1755356653181828
Energy: 1.393815336023208
Energy: 1.3968598419664
Energy: 1.1740054385744279
Energy: 1.271292576587122
Energy: 1.1712092349055196
Energy: 1.1758727712636758
Energy: 1.394251115658901
Energy: 1.5713735053735967
Energy: 1.1767872922851932
Energy: 1.3950509271613665
Energy: 1.3947189920087038
Energy: 1.1758139128788883
Energy: 1.395553523690772
Energy: 1.566006099825625
Energy: 1.565235548618503
Energy: 1.3949525650994414
Energy: 1.406466863169411
Energy: 1.1696154881779726
Energy: 1.16862571540544
Energy: 1.3981971393171204
Energy: 1.1794504423098264
Energy: 1.3962008368520749
Energy: 1.1688730986638611
Energy: 1.1549553036716556
Energy: 1.1612258112572797
Energy: 1.575649397768337
Energy: 1.1989015268140442
Energy: 1.1644254163717007
Energy: 1.1592465361713098
Energy: 1.1710400385770519
Energy: 1.1706249068947272
Energy: 1.3954613326314151
Energy: 1.1524241260336365
Energy: 1.394238949389172
Energy: 1.1705883009815392
Energy: 1.1987929205700172
Energy: 1.395951083114449
Energy: 1.3946811972370385
Energy: 1.38783126446326
Energy: 1.3948327254655073
Energy: 1.3977882419825363
Energy: 1.1487581232204
Energy: 1.3950540433219079
Energy: 1.2717422719557314
Energy: 1.1991913790407056
Energy: 1.39873649990041
Energy: 1.149421843429811
Energy: 1.1762404333801095
Energy: 1.3943526225549394
Energy: 1.3952912726877273
Energy: 1.2134225671183325
Energy: 1.2702431137595465
Energy: 1.393419891369077
Energy: 1.199059609019737
Energy: 1.3939745242077177
Energy: 1.3993887615617586
Energy: 1.3943814069447382
Energy: 1.3948892008370377
Energy: 1.1982521607079464
Energy: 1.159336912777209
Energy: 1.393541283313318
Energy: 1.3948019549461974
Energy: 1.1755011726140432
Energy: 1.3939161414378236
Energy: 1.5653647472815744

minimum gb energy = 1.1487581232204 eV
minimum distance =  2.25462760844195 Angstroms
sigma value = 17


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

Energy: 2.179829745385421
Energy: 1.2393287064324892
Energy: 1.2439406376373132
Energy: 1.243545553776247
Energy: 1.24078622892459
Energy: 1.5051176925807068
Energy: 1.2638148969241834
Energy: 1.3644361440834993
Energy: 1.2386181187932719
Energy: 1.2377503266996064
Energy: 1.2379380429692328
Energy: 1.5499002187102289
Energy: 1.232842502314855
Energy: 1.408876585187357
Energy: 1.2405094688916174
Energy: 1.2399850016251301
Energy: 1.2405737539598993
Energy: 1.2157587470545541
Energy: 1.7428534404208575
Energy: 1.5597140396951883
Energy: 1.2452075624743586
Energy: 1.2422803551867212
Energy: 1.2450800780227793
Energy: 1.6236814272522346
Energy: 1.418895859115101
Energy: 1.6217252448242307
Energy: 1.557155244959842
Energy: 1.2324402611192975
Energy: 1.622908675978061
Energy: 1.6201799155667405
Energy: 1.2425205196553957
Energy: 1.2430091577884264
Energy: 1.6111658112316332
Energy: 1.611060406223427
Energy: 1.5582458839433562
Energy: 1.2470537526411645
Energy: 1.2442147365399794
Energy: 1.2428110087815276
Energy: 1.5609387970024275
Energy: 1.4633726622319014
Energy: 1.2428461615606612
Energy: 1.2428913778886579
Energy: 1.2362859222225848
Energy: 1.2378067063297578
Energy: 1.3651340395401323
Energy: 1.2427036468242434
Energy: 1.2362676563217085
Energy: 1.2370200527625783
Energy: 1.2419832375970734
Energy: 1.2398636585981333
Energy: 1.34091787866328
Energy: 1.2361655065286195
Energy: 1.238962169157414
Energy: 1.2398472173990753
Energy: 1.4247096361407994
Energy: 1.2375983376122244
Energy: 1.2384171945269642
Energy: 1.3593658815597138
Energy: 1.2383831335730313
Energy: 1.2393592082855713
Energy: 1.4129299813949312
Energy: 1.3628886043893245
Energy: 1.213225358130626
Energy: 1.244077465913929
Energy: 1.3637433961727354
Energy: 1.3665752026792861
Energy: 1.4282186353082371
Energy: 1.2373051465702603
Energy: 1.5420748790020902
Energy: 1.2254219726901456
Energy: 1.5435708465550697
Energy: 1.24094384588232
Energy: 1.2993247564155759
Energy: 1.5407358776174187
Energy: 1.5403823817570463
Energy: 1.33996910576771
Energy: 1.542979637042736
Energy: 1.242508949801403
Energy: 1.904296812318152
Energy: 1.333729005881876
Energy: 1.254624120441522
Energy: 1.2156998353973412
Energy: 1.2183992588958306
Energy: 1.4521662625670428
Energy: 1.4633449486271866
Energy: 1.540717788572704
Energy: 1.224139904533384
Energy: 1.2197964237250205
Energy: 1.2228267638513557
Energy: 1.5414292465060737
Energy: 1.2954435011199217
Energy: 1.221388160217789
Energy: 1.2201984982977296
Energy: 1.2195764592085865
Energy: 1.2201647090837602
Energy: 1.250141259137681
Energy: 1.7470789883742777
Energy: 1.2234713348510802
Energy: 1.2262238421257767
Energy: 1.2144548812863951
Energy: 1.2197238450791175
Energy: 1.6189754369153628
Energy: 1.7482043385191939
Energy: 1.2201340861546632
Energy: 1.215078559839571
Energy: 1.2342379424081962
Energy: 1.3431298961159301
Energy: 1.6190909554202533
Energy: 1.3007449277151284
Energy: 1.4172711591680487
Energy: 1.5427048161981014
Energy: 1.215498526543497
Energy: 1.5452275240876996
Energy: 1.242450410296615
Energy: 1.4295153024170275
Energy: 1.2398142005542772
Energy: 1.2156801981264662
Energy: 1.2336999895467435
Energy: 1.339960403569126
Energy: 1.2379460428202038
Energy: 1.4117883829974605
Energy: 1.3631068411884661
Energy: 1.5651015656410787
Energy: 1.2439493869603573
Energy: 1.3644273628688555
Energy: 1.3654076892279576
Energy: 1.3005873996274377
Energy: 1.2344489641157015
Energy: 1.223496066219452
Energy: 1.2543125657231566
Energy: 1.2382322267634118
Energy: 1.240123884083124
Energy: 1.2400687785655566
Energy: 1.2363926249520498
Energy: 1.3655535496112858
Energy: 1.2206179227041487
Energy: 1.365291172054498
Energy: 1.2393492571444495
Energy: 1.2350355401970823
Energy: 1.2373858029193174
Energy: 1.2146036362487835
Energy: 1.2430769153441839
Energy: 1.2367400681875518
Energy: 1.2373249658813905
Energy: 1.2514273027976488
Energy: 1.2433113405225489
Energy: 1.6198035200448193
Energy: 1.2718272239085597
Energy: 1.621179586715304
Energy: 1.2432015844521362
Energy: 1.2352475053586802
Energy: 1.5626809234375691
Energy: 1.5600788645637274
Energy: 1.3401060687411586
Energy: 1.5589944132182576
Energy: 1.4128524767527202
Energy: 1.9161832806213712
Energy: 1.5597814201964408
Energy: 1.4120831683571107
Energy: 1.2370577966550076
Energy: 1.5623609908981821
Energy: 1.6105809851626218
Energy: 1.2166162450541782
Energy: 1.6217570483408617
Energy: 1.2430787074556473
Energy: 1.2509341850404843
Energy: 1.2420925466127237
Energy: 1.5540287283986083
Energy: 1.242875204435225
Energy: 1.2375372228547528
Energy: 1.2370322130938576
Energy: 1.2362194392555363
Energy: 1.2372932073220704
Energy: 1.3340890534787884
Energy: 1.7435127163753736
Energy: 1.238095135766537
Energy: 1.2392172224917186
Energy: 1.2414454533192139
Energy: 1.2360981345849122
Energy: 1.539655914498136
Energy: 2.052771446074743
Energy: 1.2385309710578642
Energy: 1.2356950566950489
Energy: 1.3002490397832747
Energy: 1.238475923520042
Energy: 1.338283529750019
Energy: 1.242130019232307
Energy: 1.36415437091848
Energy: 1.3633699560523453
Energy: 1.237088527991082
Energy: 1.3639123706172016
Energy: 1.2134288953259535
Energy: 1.4189186382872534
Energy: 1.3433220972247666
Energy: 1.237939383201251
Energy: 1.2416291361136351
Energy: 1.2375257777573847
Energy: 1.3438738772871763
Energy: 1.7392333607350827
Energy: 1.5430364914313281
Energy: 1.2286583106960272
Energy: 1.2942985481519536
Energy: 1.5426454718409064
Energy: 1.5446734481987257
Energy: 1.2335576503386594
Energy: 1.2141267130104136
Energy: 1.4525057721181276
Energy: 1.2204482456681687
Energy: 1.3434006868725712
Energy: 1.2116992268276288
Energy: 1.2319851592816733
Energy: 1.2195898878818843
Energy: 1.4316177371834813
Energy: 1.2208019636949115
Energy: 1.3426587949802544
Energy: 1.2189698467841263
Energy: 1.2176683575799823
Energy: 1.2200626069897789
Energy: 1.24966736725809
Energy: 1.2953493143276738
Energy: 1.2196152174502566
Energy: 1.2202416470354216
Energy: 1.225618231345491
Energy: 1.2246586698097635
Energy: 1.5413530926956471
Energy: 1.2412694552882428
Energy: 1.3536021534470202
Energy: 1.2248288798736302
Energy: 1.2440846538547945
Energy: 1.2157375227946148
Energy: 1.557664199471516
Energy: 1.3605857030902502
Energy: 1.33863732449294
Energy: 1.2326048049190057
Energy: 1.5727372396523072
Energy: 1.54040871722394
Energy: 1.541941660041666
Energy: 1.2988660241570251
Energy: 1.5408362678360592
Energy: 1.5416393351521727
Energy: 1.4168076092414201
Energy: 1.543441589674108
Energy: 1.2349830762025857
Energy: 1.2445419901055808
Energy: 1.230790507796315
Energy: 1.4332305760190043
Energy: 1.2424566908364456
Energy: 1.2316606200891673
Energy: 1.3632031421915982
Energy: 1.2372682637776196
Energy: 1.362677523261347
Energy: 1.2144707437595743
Energy: 1.5780492039817253
Energy: 1.3648686901050673
Energy: 1.239994500808059
Energy: 1.2404238114309962
Energy: 1.238948504046847
Energy: 1.2176431343896874

minimum gb energy = 1.2116992268276288 eV
minimum distance =  2.23806225272736 Angstroms
sigma value = 57


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

Energy: 1.8037752276640897
Energy: 1.2624509752846271
Energy: 1.2923309593772347
Energy: 1.4668906740232344
Energy: 1.3748167688645372
Energy: 1.2620785809869677
Energy: 1.327140510704472
Energy: 1.44166985983799
Energy: 1.254080009127573
Energy: 1.2553887713482894
Energy: 1.2536781668323123
Energy: 1.4488462883430173
Energy: 1.2798312078435228
Energy: 1.4455202494218549
Energy: 1.2539547739033143
Energy: 1.2528836007428996
Energy: 1.253907974030143
Energy: 1.2622494989483417
Energy: 1.5427532846800798
Energy: 1.6068433206083048
Energy: 1.2614552533859416
Energy: 1.2659365427693339
Energy: 1.263037159601346
Energy: 1.6048635358409302
Energy: 1.5619677287539349
Energy: 1.6058263109456559
Energy: 1.6051942352432955
Energy: 1.2383650796131693
Energy: 1.6057818122955911
Energy: 1.6033780129083957
Energy: 1.2618820516430889
Energy: 1.2650784439821017
Energy: 1.5853036237427018
Energy: 1.22557732168846
Energy: 1.6060412683617773
Energy: 1.264207468478333
Energy: 1.2556091983144901
Energy: 1.2562517354311733
Energy: 1.6044174142493288
Energy: 1.2686390188618002
Energy: 1.4454335633795004
Energy: 1.2565517051679154
Energy: 1.2513636769227505
Energy: 1.2548834913418034
Energy: 1.4400703593522917
Energy: 1.2720179120144417
Energy: 1.253148066749664
Energy: 1.2549473109437852
Energy: 1.2609314226955346
Energy: 1.262564029103324
Energy: 1.6036999423653087
Energy: 1.2530715510686559
Energy: 1.4519512821756515
Energy: 1.2611199310269463
Energy: 1.28606155019254
Energy: 1.4465227114353585
Energy: 1.443390522260696
Energy: 1.259940749512114
Energy: 1.4431828450568231
Energy: 1.4497021025830865
Energy: 1.2733540189435233
Energy: 1.448007680402896
Energy: 1.2624764292626656
Energy: 1.2886441865386873
Energy: 1.4420966182173929
Energy: 1.4404923906570575
Energy: 1.2823932727764606
Energy: 1.4452290227526547
Energy: 1.4481836510644428
Energy: 1.2578454634706395
Energy: 1.4416262861973332
Energy: 1.259599284831984
Energy: 1.2936140379551107
Energy: 1.4411886858467235
Energy: 1.444989218736834
Energy: 1.2562506261281143
Energy: 1.4451818508938192
Energy: 1.2645220103833839
Energy: 1.8044616247823757
Energy: 1.4509856733533153
Energy: 1.2870134572552587
Energy: 1.28978258215534
Energy: 1.4501984718559773
Energy: 1.589575947017112
Energy: 1.290710625091561
Energy: 1.4421485397780165
Energy: 1.254939442085681
Energy: 1.2575643141375512
Energy: 1.2543025240289682
Energy: 1.4428503276501494
Energy: 1.280661325534025
Energy: 1.4462595070548425
Energy: 1.2533100844336524
Energy: 1.2517147235134252
Energy: 1.2523907270115595
Energy: 1.2610136378281824
Energy: 1.545216930231769
Energy: 1.6060359826305426
Energy: 1.2613273049322815
Energy: 1.2745319209148538
Energy: 1.259750492422741
Energy: 1.603790380450651
Energy: 1.5581205316851454
Energy: 1.6061978764645524
Energy: 1.6045209327244632
Energy: 1.2840344752957003
Energy: 1.606651114417954
Energy: 1.6034025319142065
Energy: 1.2631904574300075
Energy: 1.4504448185251166
Energy: 1.5846868851168576
Energy: 1.5834200790671187
Energy: 1.4471088171809545
Energy: 1.2646430717615955
Energy: 1.2583199334582895
Energy: 1.2568072384590008
Energy: 1.6037454775188458
Energy: 1.2652831250769692
Energy: 1.4447229093389131
Energy: 1.257794187782811
Energy: 1.254335121061743
Energy: 1.2541969209194035
Energy: 1.4398208381865107
Energy: 1.2638066266334336
Energy: 1.2516706856967343
Energy: 1.2540385572299346
Energy: 1.2730310610644064
Energy: 1.2583431661380617
Energy: 1.6033099690173016
Energy: 1.2555634755855511
Energy: 1.450593574623252
Energy: 1.261381480457433
Energy: 1.286779034126733
Energy: 1.4442178682698854
Energy: 1.4437268580376879
Energy: 1.2940896003584372
Energy: 1.443453350927894
Energy: 1.453151569233579
Energy: 1.2729068283436094
Energy: 1.4475153290758327
Energy: 1.2634769015372027
Energy: 1.288320514064249
Energy: 1.4407320911831216
Energy: 1.4398182045665107
Energy: 1.2842104003237795
Energy: 1.445485515553285
Energy: 1.450103409420302
Energy: 1.2599400461972141
Energy: 1.4420004036647467
Energy: 1.2584675704468082
Energy: 1.2914782670837064
Energy: 1.4408600380021646
Energy: 1.4437881426591745
Energy: 1.2552728407896885
Energy: 1.4441402278372353
Energy: 1.2649477671242866
Energy: 1.806446733765743
Energy: 1.4458523665670477
Energy: 1.2598426203907298
Energy: 1.281782340613723
Energy: 1.4487802294102898
Energy: 1.5888641407776245

minimum gb energy = 1.22557732168846 eV
minimum distance =  2.18403137041824 Angstroms
sigma value = 43


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

Energy: 2.0314476881433845
Energy: 1.6256199712676047
Energy: 1.2548401236938522
Energy: 1.2547311675876476
Energy: 1.2560066392993832
Energy: 1.6462804098194765
Energy: 1.3109186925531615
Energy: 1.433947204090151
Energy: 1.2805775943695508
Energy: 1.2859909234187135
Energy: 1.2804574834860984
Energy: 1.4329048591242384
Energy: 1.4384961839407036
Energy: 1.5290977020926244
Energy: 1.278434641273871
Energy: 1.2813639716266971
Energy: 1.2780141298810315
Energy: 1.285113895030736
Energy: 1.412453394623673
Energy: 1.6044604800830502
Energy: 1.2849686110933798
Energy: 1.2827396036725747
Energy: 1.35969012261159
Energy: 1.5996027730863251
Energy: 1.5214667421514527
Energy: 1.603673159563371
Energy: 1.6006076261415716
Energy: 1.3063846594080881
Energy: 1.6029094152766643
Energy: 1.406012173899077
Energy: 1.2568878795531708
Energy: 1.253923851798629
Energy: 1.6305164376817034
Energy: 1.2436870309360157
Energy: 1.5342935550768286
Energy: 1.259744171279406
Energy: 1.2563321914793077
Energy: 1.2517081621357722
Energy: 1.5999097435903384
Energy: 1.3734892393260016
Energy: 1.3924907608896995
Energy: 1.2518768257748967
Energy: 1.253199105434958
Energy: 1.2506374424058424
Energy: 1.6000639796996015
Energy: 1.3731321314208178
Energy: 1.2504913931231014
Energy: 1.2509001318638138
Energy: 1.254165562522223
Energy: 1.25979331578411
Energy: 1.5370912712084406
Energy: 1.2459510536984784
Energy: 1.5318685246624786
Energy: 1.2573939210659502
Energy: 1.524147310454742
Energy: 1.6042821832016207
Energy: 1.6035749972052529
Energy: 1.3737949890961454
Energy: 1.6033461598440255
Energy: 1.2545972043406772
Energy: 1.6979501620868958
Energy: 1.6020396317531334
Energy: 1.2871219219458043
Energy: 1.2830768347101846
Energy: 1.5651355854468443
Energy: 1.542090688250755
Energy: 1.4355950081028221
Energy: 1.530618226039872
Energy: 1.2799218052167103
Energy: 1.2841037097826304
Energy: 1.2797529311678792
Energy: 1.4779189063118743
Energy: 1.3399763161833134
Energy: 1.279349205029574
Energy: 1.2802629651317539
Energy: 1.2828195672800156
Energy: 1.2801181864532947
Energy: 1.2867907433001287
Energy: 1.8576830077989726
Energy: 1.436789894359756
Energy: 1.2875219535393334
Energy: 1.2862784281935027
Energy: 1.2870209967944035
Energy: 1.5266044096410927
Energy: 1.2738648450021013
Energy: 1.4346508753233933
Energy: 1.4348965775489664
Energy: 1.2854716119274059
Energy: 1.4346440018073918
Energy: 1.4327706333682517
Energy: 1.4390526215549893
Energy: 1.2828952324810063
Energy: 1.4331110254625454
Energy: 1.280950470078314
Energy: 1.4331002153162469
Energy: 1.2849552161558404
Energy: 1.5106760856156276
Energy: 1.433072912425544
Energy: 1.4348254327884677
Energy: 1.438293511435342
Energy: 1.411890425729235
Energy: 1.4362356517579205
Energy: 1.5150738467004699
Energy: 1.43390818872567
Energy: 1.434249059008527
Energy: 1.3400216047375673
Energy: 1.4336262305611178
Energy: 1.4348607391563997
Energy: 1.2540738364074515
Energy: 1.2554991315887476
Energy: 1.312308458904637
Energy: 2.0333741594881545
Energy: 1.2524918620380443
Energy: 1.2545207762650725
Energy: 1.2849241736007828
Energy: 1.2805850959204732
Energy: 1.4340522525729111
Energy: 1.3400602176962386
Energy: 1.2809479975371647
Energy: 1.2805565947998767
Energy: 1.2801353239469144
Energy: 1.2780590903074558
Energy: 1.5291785965759208
Energy: 1.4390892732812723
Energy: 1.2802267840746209
Energy: 1.278390744880636
Energy: 1.282739405598309
Energy: 1.2859456968115928
Energy: 1.6002175152319593
Energy: 1.3947897217480953
Energy: 1.6039378682636074
Energy: 1.2842938660443317
Energy: 1.305109396674728
Energy: 1.6033556928455737
Energy: 1.6030596210254773
Energy: 1.2849286853898005
Energy: 1.604492372390919
Energy: 1.6004815781488662
Energy: 1.6884162288199773
Energy: 1.5360687206307704
Energy: 1.2527513448023142
Energy: 1.2530053423378678
Energy: 1.3963098754567866
Energy: 1.6309930791815035
Energy: 1.3735501702740047
Energy: 1.4772483874947497
Energy: 1.2518500360039253
Energy: 1.2574597311566929
Energy: 1.251570390596017
Energy: 1.531309410190849
Energy: 1.374787694463894
Energy: 1.4767120225559882
Energy: 1.2508627888588477
Energy: 1.2546010717508955
Energy: 1.2503857017418463
Energy: 1.5320168726565664
Energy: 1.8697287888866296
Energy: 1.5275379023820854
Energy: 1.2586635499672614
Energy: 1.254461852766603
Energy: 1.2527435919059016
Energy: 1.4019585889772828
Energy: 1.5746691340211363
Energy: 1.603342671688928
Energy: 1.6030702958552276
Energy: 1.2874187903363152
Energy: 1.604360096386912
Energy: 1.600598496873822
Energy: 1.282803854436145
Energy: 1.2858619269703369
Energy: 1.600310170449103
Energy: 1.2475009611989891
Energy: 1.6010107113347476
Energy: 1.2853831946039733
Energy: 1.2830141327822775
Energy: 1.2797914414089322
Energy: 1.3989059543925282
Energy: 1.2861043423910379
Energy: 1.3635267827337818
Energy: 1.2799564272252661
Energy: 1.2814774483930604
Energy: 1.2804143900047198
Energy: 1.4327505617390939
Energy: 1.3402352926109589
Energy: 1.2796600808072152
Energy: 1.280246572687835
Energy: 1.285691788634928
Energy: 1.286467969829518
Energy: 1.53097357339982
Energy: 1.636813830043547
Energy: 1.436188296906871
Energy: 1.2870308458892115
Energy: 1.521220014924151
Energy: 1.4346848307186486
Energy: 1.434351920977996
Energy: 1.2741745686514003
Energy: 1.4348681119733238
Energy: 1.435439380124884
Energy: 1.3049119526786097
Energy: 1.4331866820235482
Energy: 1.2853090712864466
Energy: 1.4391129066768158
Energy: 1.2803826791892627
Energy: 1.435833986302851
Energy: 1.4385879417175407
Energy: 1.4358853232107032
Energy: 1.4333026768654678
Energy: 1.2826333700767778
Energy: 1.4330719431918117
Energy: 1.285005942731965
Energy: 1.3381614233912182
Energy: 1.4339892523621434
Energy: 1.4337988277903617
Energy: 1.2840026049107693
Energy: 1.4336336922409316
Energy: 1.4335657932844328

minimum gb energy = 1.2436870309360157 eV
minimum distance =  2.17125498047152 Angstroms
sigma value = 81


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

Energy: 1.1938195648854228
Energy: 1.1936630223921236
Energy: 1.3387979789349604
Energy: 1.338190727842863
Energy: 1.6002197233555353
Energy: 1.1936323637526531
Energy: 1.1938104315649338
Energy: 1.3394729657342392
Energy: 1.2050663547545462
Energy: 1.1984599480013454
Energy: 1.200343223232007
Energy: 1.3396893544468222
Energy: 1.339350893312151
Energy: 1.339134914286742
Energy: 1.1984985494210292
Energy: 1.1984923833106595
Energy: 1.1984993270337783
Energy: 1.340061344057231
Energy: 1.3398687901265396
Energy: 1.340473945172648
Energy: 1.1999714423248233
Energy: 1.199701252721462
Energy: 1.3388897935679187
Energy: 1.338435207294621
Energy: 1.3385536069183916
Energy: 1.3403206861057027
Energy: 1.1987934340147481
Energy: 1.1937626883440022
Energy: 1.341198616047907
Energy: 1.3392030530237782
Energy: 1.1989265268183178
Energy: 1.200015274130046
Energy: 1.193705456398574
Energy: 1.1984666074951862
Energy: 1.3386147725206825
Energy: 1.1990544673073256
Energy: 1.1989405937551805
Energy: 1.199146189072277
Energy: 1.3389576081788255
Energy: 1.2048839326890197
Energy: 1.3418014355551073
Energy: 1.1982033791087985
Energy: 1.1994486696065045
Energy: 1.1987183808670105
Energy: 1.3386135438334263
Energy: 1.3403928095555893
Energy: 1.341474755570647
Energy: 1.1991810150121796
Energy: 1.1998726551226437
Energy: 1.199597449238004
Energy: 1.3383755529299708
Energy: 1.3389094181451873
Energy: 1.3384171975544754
Energy: 1.2008542002759675
Energy: 1.193693417163887
Energy: 1.198927602593997
Energy: 1.3380945003468516
Energy: 1.3379733501530342
Energy: 1.3423516124271226
Energy: 1.2051260215684103

minimum gb energy = 1.1936323637526531 eV
minimum distance =  2.25086966432429 Angstroms
sigma value = 3


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

Energy: 2.0585144042807832
Energy: 1.412107238072026
Energy: 1.3285350559072278
Energy: 1.3302520212490607
Energy: 1.2584984429110584
Energy: 1.33837374652301
Energy: 1.232742271485539
Energy: 1.3284704051461163
Energy: 1.4075458993919854
Energy: 1.4069314393282772
Energy: 1.427300161435602
Energy: 1.332178791248078
Energy: 1.4088596323557547
Energy: 1.4106340246022406
Energy: 1.408999615987098
Energy: 1.4097025919802757
Energy: 1.4279924115258444
Energy: 1.4099746271342348
Energy: 1.4094088592314808
Energy: 1.4228384478559577
Energy: 1.4073596231096057
Energy: 1.4077551505738148
Energy: 1.251381476620946
Energy: 1.4126491756161716
Energy: 1.4088562588412472
Energy: 1.4090779312073312
Energy: 1.2544150430281213
Energy: 1.4555693988935063
Energy: 1.4091512678022455
Energy: 1.4088847446079882
Energy: 1.4847805190626695
Energy: 1.5442543885253082
Energy: 1.2255108517167097
Energy: 1.3519514719495636
Energy: 1.4096118759086513
Energy: 1.484616700825352
Energy: 1.4636367062557682
Energy: 1.4097103714077002
Energy: 1.5643408870819013
Energy: 1.2584177979706757
Energy: 1.5511462210197522
Energy: 1.408778180089435
Energy: 1.526414492887537
Energy: 1.4109588093029792
Energy: 1.2581933512015104
Energy: 1.2588814244825188
Energy: 1.2581150152629859
Energy: 1.4091661652645766
Energy: 1.3784051228860053
Energy: 1.2585543332827367
Energy: 1.2568941867551557
Energy: 1.2590435885241151
Energy: 1.2576752112836938
Energy: 1.3778826331977936
Energy: 1.5994074609266808
Energy: 1.4053196275163207
Energy: 1.2548244340826993
Energy: 1.254570045881425
Energy: 1.2542079947092923
Energy: 1.294543327341542
Energy: 1.8702266791463742
Energy: 1.2920376726086387
Energy: 1.255618652393196
Energy: 1.2568856741206746
Energy: 1.4114587774296066
Energy: 1.332495904864015
Energy: 1.478627824705303
Energy: 1.4113145758562806
Energy: 1.2533862216735039
Energy: 1.4389016879364507
Energy: 1.2541485886574395
Energy: 1.3757602787298153
Energy: 1.2960499710052098
Energy: 1.297801507112416
Energy: 1.2533486192686991
Energy: 1.5440060986830317
Energy: 1.4365911578525894
Energy: 1.2976370151726806
Energy: 1.2917807010596003
Energy: 1.296898124506927
Energy: 1.391304965850692
Energy: 1.4155797389052356
Energy: 1.298957940194291
Energy: 1.2933037452005114
Energy: 1.2978682675952256
Energy: 1.2982424676793884
Energy: 1.258644120569223
Energy: 1.2554161836292497
Energy: 1.3286548527795008
Energy: 1.2974981272247665
Energy: 1.3015099852641883
Energy: 1.3964542991521576
Energy: 1.260769584250245
Energy: 1.3224326235429789
Energy: 1.2596358384281785
Energy: 1.298237038566713
Energy: 1.492432219400045
Energy: 1.213646330536605
Energy: 1.2602489919589042
Energy: 1.255131794687329
Energy: 1.2601374879515217
Energy: 1.214289515244947
Energy: 1.256964599077961
Energy: 1.2593046367381622
Energy: 1.2595862727072882
Energy: 1.2547961311826377
Energy: 1.2596827355524223
Energy: 1.2140157734457155
Energy: 1.453071075547533
Energy: 1.3919596295524717
Energy: 1.2588337791052402
Energy: 1.2611299979591664
Energy: 1.261843566597862
Energy: 1.4537047295022771
Energy: 1.455590144764461
Energy: 1.4530486224686818
Energy: 1.2592126768076153
Energy: 1.255147429412344
Energy: 1.391133949520487
Energy: 1.4530951303699506
Energy: 1.4527666994196293
Energy: 1.4537892554900915
Energy: 1.47335305820754
Energy: 1.2554907684366161
Energy: 1.4518040887914614
Energy: 1.4510241560961268
Energy: 1.4518556014452333
Energy: 1.4532971607982277
Energy: 1.2247749234670708
Energy: 1.2250693402967947
Energy: 1.6188628085742578
Energy: 1.452949682159641
Energy: 1.543533663912796
Energy: 1.4513593005111693
Energy: 1.3267506277728236
Energy: 1.359780341529074
Energy: 1.4326230715927528
Energy: 1.451361918432321
Energy: 1.6568487159122833
Energy: 1.4704764393630374
Energy: 1.2556238663574788
Energy: 1.2555185312856012
Energy: 1.39916400056797
Energy: 1.4654727843645663
Energy: 1.5433371102228266
Energy: 1.4795054006892083
Energy: 1.2542834120751931
Energy: 1.2557022341922504
Energy: 1.2552063807293212
Energy: 1.4512504082198918
Energy: 1.3283305761923352
Energy: 1.3168765841819843
Energy: 1.2551604117842312
Energy: 1.260119656486041
Energy: 1.2555983530091195
Energy: 1.3661312807158381
Energy: 1.868336634575343
Energy: 1.2489874805898264
Energy: 1.2594025391709356
Energy: 1.257911444523879
Energy: 1.3878218441970844
Energy: 1.3329089539201602
Energy: 1.5292321213272921
Energy: 1.3608732125249092
Energy: 1.4008047158575039
Energy: 1.345001140815907
Energy: 1.4420327588705912
Energy: 1.2502992496711316
Energy: 1.2536617869392497
Energy: 1.2511352858658997
Energy: 1.2501839007998088
Energy: 1.3953357069230043
Energy: 1.3664734209786693
Energy: 1.2541933015161426
Energy: 1.2544046867424488
Energy: 1.2498701805526236
Energy: 1.3652779516179203
Energy: 1.4560418468256722
Energy: 1.251055461242235
Energy: 1.2504975332519732
Energy: 1.2552637668748665
Energy: 1.2508405869813213
Energy: 1.4074603718416698
Energy: 1.4088616194467727
Energy: 1.3684054491540873
Energy: 1.2513566939700542
Energy: 1.2549591834943579
Energy: 1.2540509386024994
Energy: 1.4804633328192158
Energy: 1.4068956358415998
Energy: 1.4766793431822607
Energy: 1.2550486273193922
Energy: 1.2321347399456974
Energy: 1.4031188955260063
Energy: 1.408039739031607
Energy: 1.4089922315197931
Energy: 1.428743846893503
Energy: 1.4063834847818069

minimum gb energy = 1.213646330536605 eV
minimum distance =  2.18972324284542 Angstroms
sigma value = 67


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

Energy: 1.6045606134261032
Energy: 1.2537682118732407
Energy: 1.3697110867032745
Energy: 1.3698842597502552
Energy: 1.3697005330255165
Energy: 1.2582203602464757
Energy: 1.5094519378454754
Energy: 1.2665958862929563
Energy: 1.3865855200583612
Energy: 1.3948231382741731
Energy: 1.3865957372175215
Energy: 1.2700836510890885
Energy: 1.3879802895817097
Energy: 1.2697052636386281
Energy: 1.4119493220992598
Energy: 1.3962761875335052
Energy: 1.4181213007675313
Energy: 1.3858202639774952
Energy: 1.3917783387841907
Energy: 1.4122677626885858
Energy: 1.3849236625234755
Energy: 1.3851847881940689
Energy: 1.2687665475191263
Energy: 1.418102547129871
Energy: 1.386151421884229
Energy: 1.3861546743486388
Energy: 1.4697332128774505
Energy: 1.3701009440571883
Energy: 1.3975087561444823
Energy: 1.3854624525057997
Energy: 1.370272679760609
Energy: 1.369550128570128
Energy: 1.407914261788776
Energy: 1.447798972699567
Energy: 1.386811706254735
Energy: 1.3695526844791095
Energy: 1.564195113676717
Energy: 1.3865339444395732
Energy: 1.4695907932962569
Energy: 1.3699888661882218
Energy: 1.467572200453578
Energy: 1.3856357000308932
Energy: 1.5677999850895497
Energy: 1.4138379526678395
Energy: 1.2053325645024586
Energy: 1.204664864576401
Energy: 1.2048521225896747
Energy: 1.5637367285933585
Energy: 1.5464379849987777
Energy: 1.2068619461802013
Energy: 1.2037013469029205
Energy: 1.2043461693454371
Energy: 1.2035468201606125
Energy: 1.5963822851211151
Energy: 1.5540029616797144
Energy: 1.4522604029687103
Energy: 1.203754890754013
Energy: 1.207988079110865
Energy: 1.2037419884272031
Energy: 1.3852190115531589
Energy: 1.5573546854812306
Energy: 1.415029988176416
Energy: 1.2059703929053025
Energy: 1.2049324215071193
Energy: 1.4691153630226104
Energy: 1.419217424819566
Energy: 1.4318704459811364
Energy: 1.3858128731188315
Energy: 1.2018465432645615
Energy: 1.5072206673622952
Energy: 1.204004313299138
Energy: 1.4314388303194605
Energy: 1.3856883305523209
Energy: 1.3855760639673578
Energy: 1.201676968369544
Energy: 1.5103102867115226
Energy: 1.2665451294970984
Energy: 1.3851523740882945
Energy: 1.3949197584697914
Energy: 1.410596179434128
Energy: 1.266330102729136
Energy: 1.3860295699355685
Energy: 1.4123655764985792
Energy: 1.4179614987878402
Energy: 1.3938928112238549
Energy: 1.389173317593978
Energy: 1.385697924051211
Energy: 1.3851973250841803
Energy: 1.2039955735394177
Energy: 1.3859110594082218
Energy: 1.3715577217284136
Energy: 1.4131512855256785
Energy: 1.3964892849295378
Energy: 1.3871484410791917
Energy: 1.4134899996004116
Energy: 1.3871115075329534
Energy: 1.5389740850268883
Energy: 1.2036191985311164
Energy: 1.386925167381008
Energy: 1.3857991817337465
Energy: 1.3865321629302843
Energy: 1.3832602316465343
Energy: 1.5406109046572254
Energy: 1.2030523543193647
Energy: 1.3864430114758748
Energy: 1.544172669749075
Energy: 1.3873820223840716
Energy: 1.2028912015846924
Energy: 1.2047746308219613
Energy: 1.205527373237076
Energy: 1.6181089401504287
Energy: 1.5630682631438908
Energy: 1.4669842755126499
Energy: 1.2053418846730126
Energy: 1.204213464698423
Energy: 1.2037393228312516
Energy: 1.386934473981765
Energy: 1.5436240423083873
Energy: 1.2048979553134416
Energy: 1.2044700249774907
Energy: 1.2017730884384092
Energy: 1.203835768109705
Energy: 1.4537367184757068
Energy: 1.544636147205758
Energy: 1.204854314812762
Energy: 1.2036304541642247
Energy: 1.2048238468505066
Energy: 1.2048116147610013
Energy: 1.4122864477169215
Energy: 1.396226263216754
Energy: 1.4698700297635368
Energy: 1.2048469650341436
Energy: 1.5097652841355158
Energy: 1.2036544155763151
Energy: 1.385321927008498
Energy: 1.552995906979694
Energy: 1.3866451064917793
Energy: 1.2054058708876036

minimum gb energy = 1.201676968369544 eV
minimum distance =  2.23884635329432 Angstroms
sigma value = 33


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

Energy: 2.0656502147394913
Energy: 1.2477535723609725
Energy: 1.479880148143085
Energy: 1.4796593781714078
Energy: 1.4797889524575627
Energy: 1.863549139550569
Energy: 1.2568636389667684
Energy: 1.3421986970427267
Energy: 1.474299421723064
Energy: 1.4785849945478264
Energy: 1.474003213295344
Energy: 1.3396108676406928
Energy: 1.2612943055944015
Energy: 1.2568885297017276
Energy: 1.5158544859878507
Energy: 1.3447944024162548
Energy: 1.5367264959417708
Energy: 1.2573120644500868
Energy: 1.262554331606193
Energy: 1.2849734836540805
Energy: 1.3337516318400502
Energy: 1.4739275855853347
Energy: 1.168647039229084
Energy: 1.2593645750619298
Energy: 1.2595004083887653
Energy: 1.2570269597589447
Energy: 1.2558656462253879
Energy: 1.3505355916416661
Energy: 1.257045533545095
Energy: 1.2576760564486282
Energy: 1.2579315468474999
Energy: 1.1663249847386015
Energy: 1.2574446435654805
Energy: 1.472268670287437
Energy: 1.2575028639734007
Energy: 1.2569871412309495
Energy: 1.4193818094943627
Energy: 1.2566234065398665
Energy: 1.4334320082827314
Energy: 1.259326834002068
Energy: 1.3518919614784188
Energy: 1.3446166701758702
Energy: 1.419493469990381
Energy: 1.2597196581158232
Energy: 1.2568126303155844
Energy: 1.2592214907046277
Energy: 1.256676045698128
Energy: 1.3447138293838563
Energy: 1.3855060081115211
Energy: 1.2589457413202636
Energy: 1.2572368098947542
Energy: 1.2583152027662075
Energy: 1.2594449488534734
Energy: 1.4746533707198055
Energy: 1.4745056677049841
Energy: 1.335010346424126
Energy: 1.2561148462163891
Energy: 1.2573521572118231
Energy: 1.2567985699907605
Energy: 1.4743195879654962
Energy: 1.4746081171440948
Energy: 1.5368607614561942
Energy: 1.3343459651419334
Energy: 1.25729507820897
Energy: 1.5369345838519475
Energy: 1.4740140632808705
Energy: 1.4766123776649775
Energy: 1.4755245954607619
Energy: 1.3759374973538914
Energy: 1.3539204070365962
Energy: 1.336069375174264
Energy: 1.4753688588207632
Energy: 1.5489235758081275
Energy: 1.474393518938147
Energy: 1.3753728532709861
Energy: 1.3538813272684251
Energy: 1.166491901425648
Energy: 1.3946848224298494
Energy: 1.5976013629513122
Energy: 1.5377777789008482
Energy: 1.1651929213421077
Energy: 1.165794415317833
Energy: 1.785528335747191
Energy: 1.6769846689574508
Energy: 1.5990535188266326
Energy: 1.1661025915785648
Energy: 1.1649916715115858
Energy: 1.1661488920255207
Energy: 1.1656281154522445
Energy: 1.4742247168402283
Energy: 1.5467531132394914
Energy: 1.170204412125799
Energy: 1.1700598705040477
Energy: 1.1707426363039635
Energy: 1.1694546439348066
Energy: 1.6040061881293695
Energy: 1.4735104406471229
Energy: 1.5151543202390887
Energy: 1.1653618703083555
Energy: 1.1686027536800998
Energy: 1.1654086700810753
Energy: 1.4735423651900155
Energy: 1.58945265695818
Energy: 1.4740670792514035
Energy: 1.334332959042324
Energy: 1.1659093794690174
Energy: 1.343012869656708
Energy: 1.4738971258840272
Energy: 1.4862581569067599
Energy: 1.4858413016757948
Energy: 1.3540975950586864
Energy: 1.3448720811016837
Energy: 1.561610280360811
Energy: 1.4861024672054266
Energy: 1.4783755561456369
Energy: 1.4745252918198826
Energy: 1.3432201764966647
Energy: 1.3538905967629575
Energy: 1.331622000633254
Energy: 1.474751879046697
Energy: 1.344965878818642
Energy: 1.53668868004269
Energy: 1.2574298293346562
Energy: 1.256518615280015
Energy: 1.2381159000595803
Energy: 1.5379015540669685
Energy: 1.4741555440622545
Energy: 1.3357462045332045
Energy: 1.2609611880965468
Energy: 1.2614185715904358
Energy: 1.2830453399218666
Energy: 1.4745227286065725
Energy: 1.3839845910681015
Energy: 1.258322428870551
Energy: 1.2573467893389454
Energy: 1.2595719773371599
Energy: 1.2566365230329757
Energy: 1.4469082587145308
Energy: 1.5878998619123574
Energy: 1.1654713688760339
Energy: 1.2567851450804532
Energy: 1.2573737468136952
Energy: 1.2574808433449776
Energy: 1.7774661394923374
Energy: 1.2938905415120625
Energy: 1.2569361900943172
Energy: 1.2562762259032727
Energy: 1.352395463777442
Energy: 1.2568407464502587
Energy: 1.4440274208317094
Energy: 1.259208198075617
Energy: 1.2567840688168195
Energy: 1.3455566087630948
Energy: 1.5975051287093813
Energy: 1.2589459667500629
Energy: 1.2569713017983182
Energy: 1.2559851920275868
Energy: 1.258622693565447
Energy: 1.2585714917435227
Energy: 1.3841246203437347
Energy: 1.2599300927587846
Energy: 1.2570097673048526
Energy: 1.2569461638117343
Energy: 1.2583124212077876
Energy: 1.474268001736937
Energy: 1.4772758048197463
Energy: 1.3359513588048653
Energy: 1.2561902552693887
Energy: 1.2569541993098334
Energy: 1.2391778943205662
Energy: 1.541869295260623
Energy: 1.4745085599315462
Energy: 1.5373972106854827
Energy: 1.2569225519099385
Energy: 1.402060548349609
Energy: 1.1658113273443262
Energy: 1.4750692100481564
Energy: 1.47476064537933
Energy: 1.4782992041578427
Energy: 1.431466342234116
Energy: 1.3825151547864896
Energy: 1.377930663715802
Energy: 1.478664113092398
Energy: 1.4864995874410816
Energy: 1.475472556999497
Energy: 1.2550085745718267
Energy: 1.1660690345278475
Energy: 1.4761252619807261
Energy: 1.474195233470573
Energy: 1.5974886825162111
Energy: 1.5369637123518551
Energy: 1.1651186755476541
Energy: 1.165418636753379
Energy: 1.1651312804695346
Energy: 1.47473399722707
Energy: 1.600142740285772
Energy: 1.165668818575311
Energy: 1.1659325311823747
Energy: 1.168575757595964
Energy: 1.1695871975215872
Energy: 1.1709516873387167
Energy: 1.6047027225030117
Energy: 1.1695400892677739
Energy: 1.1699673227715446
Energy: 1.1678526412711459
Energy: 1.1653041425530752
Energy: 1.4742241930820332
Energy: 1.517819993620019
Energy: 1.1646845616850716
Energy: 1.1655772537289606
Energy: 1.1664670917608162
Energy: 1.4783246279169102
Energy: 1.4739748508556076
Energy: 1.4798482010645189
Energy: 1.4739921401302578
Energy: 1.165282960449092
Energy: 1.4187619377574445
Energy: 1.5622809375498423
Energy: 1.3993102598053067
Energy: 1.4865207857851739
Energy: 1.4798647455687657
Energy: 1.3451502402408617

minimum gb energy = 1.1646845616850716 eV
minimum distance =  2.21585281170847 Angstroms
sigma value = 41


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

Energy: 1.6717466483968633
Energy: 1.6695006520988094
Energy: 1.2435252424029062
Energy: 1.2433384262156886
Energy: 1.242739269690774
Energy: 1.6636162694802414
Energy: 1.475877910334636
Energy: 1.0682093486541757
Energy: 1.0690690546806483
Energy: 1.2647308564516857
Energy: 1.0676032218741138
Energy: 1.248775369026815
Energy: 1.2575191716677618
Energy: 1.0678593110191597
Energy: 1.0675663612091792
Energy: 1.003701679137461
Energy: 1.0665502562386804
Energy: 1.2485411730034182
Energy: 1.3389932217871978
Energy: 1.347711189741161
Energy: 1.0671929722891413
Energy: 1.254744130715277
Energy: 1.068039687633372
Energy: 1.3456129050299122
Energy: 1.257501614835705
Energy: 1.2504366123249053
Energy: 1.343103829707947
Energy: 1.2498280301412037
Energy: 1.0663334530827753
Energy: 1.2497597906012872
Energy: 1.2428292508291112
Energy: 1.2425939790600917
Energy: 1.6163989960503868
Energy: 1.3342252171050712
Energy: 1.616247242407538
Energy: 1.243624736073709
Energy: 1.476310469376885
Energy: 1.2440322961908927
Energy: 1.6181852389525646
Energy: 1.2455731719574292
Energy: 1.342576801166293
Energy: 1.479696719165383
Energy: 1.4766353086466413
Energy: 1.3431543452069026
Energy: 1.244219977810296
Energy: 1.2462658231650936
Energy: 1.0685613985843527
Energy: 1.665045917569046
Energy: 1.2450546565125276
Energy: 1.068899586652922
Energy: 1.071012758829897
Energy: 1.0036437482746652
Energy: 1.069000225757686
Energy: 1.24442647300772
Energy: 1.268506505887634
Energy: 1.069611856877972
Energy: 1.071035631796647
Energy: 1.2438118603337036
Energy: 1.068988539875471
Energy: 1.2547196865492098
Energy: 1.2449057080320043
Energy: 1.343953998240318
Energy: 1.0708553376278633
Energy: 1.2450496055620446
Energy: 1.3433027679901868
Energy: 1.345532127277389
Energy: 1.2463593569000466
Energy: 1.2456337869002243
Energy: 1.2497657230622221
Energy: 1.2412274936553653
Energy: 1.2481376106746138
Energy: 1.2443338012923948
Energy: 1.2462317910788356
Energy: 1.2473875886139378
Energy: 1.2440760121392334
Energy: 1.2536701045401917
Energy: 1.24883960487339
Energy: 1.2426491926623524
Energy: 1.477321795281643
Energy: 1.3438022097657205
Energy: 1.242871838165379
Energy: 1.2441598514815817
Energy: 1.342860645916797
Energy: 1.6652728544666957

minimum gb energy = 1.0036437482746652 eV
minimum distance =  2.21185460117315 Angstroms
sigma value = 11


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

Energy: 1.7943953733160831
Energy: 1.198491122765568
Energy: 1.39105344520946
Energy: 1.39224279398227
Energy: 1.3900058592037496
Energy: 1.763460167492611
Energy: 1.1957704698874596
Energy: 1.3805561606409857
Energy: 1.3896130855828164
Energy: 1.4887292518745792
Energy: 1.3919158124647626
Energy: 1.4059301225752707
Energy: 1.200084317413241
Energy: 1.2025604027662444
Energy: 1.3850546676264084
Energy: 1.4021341615259582
Energy: 1.4066501978799455
Energy: 1.1999800449919802
Energy: 1.2012465733897815
Energy: 1.2013994264380516
Energy: 1.3819269869534512
Energy: 1.4627283946954142
Energy: 1.2010215552697985
Energy: 1.2021097753192358
Energy: 1.2007177546080037
Energy: 1.201633796520111
Energy: 1.381198042654597
Energy: 1.488090825210243
Energy: 1.2006948866847214
Energy: 1.2011847553571873
Energy: 1.2055898823013504
Energy: 1.2002156921064222
Energy: 1.6434223390646512
Energy: 1.4880501085895244
Energy: 1.6460835527341096
Energy: 1.2007482991293954
Energy: 1.3843791252269595
Energy: 1.3824056015594803
Energy: 1.4871485714618757
Energy: 1.4867780266097528
Energy: 1.5089241509048137
Energy: 1.2775421006242762
Energy: 1.3842640043410606
Energy: 1.5924058207566547
Energy: 1.387252734760371
Energy: 1.3884615394568613
Energy: 1.3810346090967103
Energy: 1.4829474190755902
Energy: 1.2009150418958865
Energy: 1.637235569289336
Energy: 1.4881188949416906
Energy: 1.5612871438902192
Energy: 1.6648617546966775
Energy: 1.2000974613309952
Energy: 1.3021302419111185
Energy: 1.3019576849263126
Energy: 1.381909157103212
Energy: 1.5612685123347718
Energy: 1.3798499456514024
Energy: 1.3019361740913535
Energy: 1.3019056740273436
Energy: 1.3629177166281747
Energy: 1.2813597799534364
Energy: 1.3024599960785326
Energy: 1.3769118887963205
Energy: 1.3024559220753387
Energy: 1.302338388575412
Energy: 1.3834003128471282
Energy: 1.3027982673194372
Energy: 1.3026891234152176
Energy: 1.3823335443008042
Energy: 1.377999243514777
Energy: 1.3214430530683994
Energy: 1.3758887050522965
Energy: 1.3025920164591795
Energy: 1.3036702040625674
Energy: 1.3030156729460953
Energy: 1.376925772288116
Energy: 1.4841515579961755
Energy: 1.302164835380297
Energy: 1.2014935318331232
Energy: 1.2020512139847677
Energy: 1.2002713928580615
Energy: 1.3863389950196376
Energy: 1.3869534633298735
Energy: 1.3812596482062796
Energy: 1.3021080790865234
Energy: 1.200521621034522
Energy: 1.38051045203873
Energy: 1.4154444397865884
Energy: 1.3880505965863348
Energy: 1.3891305448998787
Energy: 1.1957165725131587
Energy: 1.5600719555022107
Energy: 1.4344064176808713
Energy: 1.3888955067584403
Energy: 1.4876877565907654
Energy: 1.394329808905832
Energy: 1.382600934461522
Energy: 1.1957397533396814
Energy: 1.3828458067692408
Energy: 1.4874472136943684
Energy: 1.4022553356810963
Energy: 1.407807578544048
Energy: 1.2018413262714134
Energy: 1.2005644563154416
Energy: 1.201204455247092
Energy: 1.501510867446628
Energy: 1.4871110015336517
Energy: 1.2011213752783858
Energy: 1.2007662225094355
Energy: 1.2205607755377479
Energy: 1.2014612231762969
Energy: 1.3816265934380105
Energy: 1.4881146109056502
Energy: 1.2007206098658971
Energy: 1.2085015053974262
Energy: 1.2005107065983045
Energy: 1.221653215868826
Energy: 1.3817447171759814
Energy: 1.4877902717654674
Energy: 1.6431252713549913
Energy: 1.2225972192258097
Energy: 1.2057460617019213
Energy: 1.3784620912185732
Energy: 1.6438217559593056
Energy: 1.4870603360630168
Energy: 1.4882112959975797
Energy: 1.3777959986490147
Energy: 1.3843269911952107
Energy: 1.3819798753442891
Energy: 1.4878310894371691
Energy: 1.38969662045756
Energy: 1.3886381367998364
Energy: 1.5213631424328966
Energy: 1.3853249725189154
Energy: 1.592049714225599
Energy: 1.388920576753768
Energy: 1.561432099123859
Energy: 1.5617572942842426
Energy: 1.1985963582107528
Energy: 1.2013406779746059
Energy: 1.3790327369985975
Energy: 1.5618929778328408
Energy: 1.5609857318765163
Energy: 1.379971291904108
Energy: 1.3019550337969272
Energy: 1.3020769613312024
Energy: 1.302827182456151
Energy: 1.5621294408016226
Energy: 1.3021305563426773
Energy: 1.3835969431525459
Energy: 1.3024027702497065
Energy: 1.301869510190549
Energy: 1.3051914989641822
Energy: 1.3025662427347122
Energy: 1.3032704784107823
Energy: 1.3022572183234913
Energy: 1.3781931492336068
Energy: 1.304066090810346
Energy: 1.2796019731082104
Energy: 1.3026236232664825
Energy: 1.3034219384957038
Energy: 1.3027994767041042
Energy: 1.3819771409225787
Energy: 1.3143105979068401
Energy: 1.3032154523519284
Energy: 1.3025147395716068
Energy: 1.200135918410116
Energy: 1.201231851498377
Energy: 1.385057752020749
Energy: 1.483938384391414
Energy: 1.3021486520848833
Energy: 1.202334326397853
Energy: 1.2008722381705261
Energy: 1.302376751046214
Energy: 1.3916308448381165
Energy: 1.3864318941459937
Energy: 1.3797090512089356
Energy: 1.2001620444986831
Energy: 1.5595603069740676
Energy: 1.433683220027407
Energy: 1.389213764566591
Energy: 1.3885188018259016
Energy: 1.387882886967042
Energy: 1.197194702638043

minimum gb energy = 1.1957165725131587 eV
minimum distance =  2.23428412141979 Angstroms
sigma value = 57


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

Energy: 1.8127840446170023
Energy: 1.7523834190727834
Energy: 1.3975782623398278
Energy: 1.397282094018977
Energy: 1.3973168014558102
Energy: 1.7534926370439656
Energy: 1.5384820629703027
Energy: 1.3183433117218322
Energy: 1.3195914103477433
Energy: 1.4401587307106394
Energy: 1.3185902648203534
Energy: 1.3111568577285242
Energy: 1.2420488454612222
Energy: 1.3109695197538103
Energy: 1.3137400247308502
Energy: 1.2313355469866776
Energy: 1.31505079121089
Energy: 1.238841625361959
Energy: 1.2387810790025153
Energy: 1.2714487299259067
Energy: 1.3011500496408313
Energy: 1.2489530814835885
Energy: 1.3005138171056774
Energy: 1.2726299117883522
Energy: 1.2395704206260278
Energy: 1.2743596782235855
Energy: 1.3185793059878372
Energy: 1.4416311317718449
Energy: 1.2690431754077147
Energy: 1.274240992128268
Energy: 1.247191350467964
Energy: 1.315079970874885
Energy: 1.5331857398030069
Energy: 1.438277082682004
Energy: 1.5352554832638348
Energy: 1.2393196462434202
Energy: 1.4026068090742694
Energy: 1.310836368655442
Energy: 1.3975833757497378
Energy: 1.4003725945124612
Energy: 1.3976616768243892
Energy: 1.31919232238687
Energy: 1.4028579182332468
Energy: 1.4256390013794173
Energy: 1.3977110609441254
Energy: 1.3967228375238305
Energy: 1.3972292932700354
Energy: 1.3103771812935483
Energy: 1.3970415030582777
Energy: 1.3151796619409937
Energy: 1.5284294573042223
Energy: 1.540773801341198
Energy: 1.5338370617424912
Energy: 1.2383493924623106
Energy: 1.3987620759824022
Energy: 1.310398972465281
Energy: 1.551736349548323
Energy: 1.5409585425846863
Energy: 1.315058685661435
Energy: 1.2385064031179638
Energy: 1.230988700332203
Energy: 1.3181923970592262
Energy: 1.3108160480038489
Energy: 1.2472482259550877
Energy: 1.3110911239353198
Energy: 1.3119367941074334
Energy: 1.231926837390312
Energy: 1.30979439406673
Energy: 1.2740453265783664
Energy: 1.2411826985152936
Energy: 1.2718683742845511
Energy: 1.3113386490631735
Energy: 1.2399325206056475
Energy: 1.2998808373698445
Energy: 1.2731446991673652
Energy: 1.240682213644118
Energy: 1.2397970834001146
Energy: 1.311414364679835
Energy: 1.4378041287211103
Energy: 1.5325200710826605
Energy: 1.312159787923527
Energy: 1.2416271043268974
Energy: 1.3120421522554002
Energy: 1.5311427007006522
Energy: 1.4349444926195452
Energy: 1.4075865209211238
Energy: 1.3106040748599632
Energy: 1.2479328265724396
Energy: 1.3192575122518357
Energy: 1.3974977723112376
Energy: 1.3982430770193777
Energy: 1.397507455852286
Energy: 1.4260243744849244
Energy: 1.507026105393919
Energy: 1.425960499415635
Energy: 1.3983123600383895
Energy: 1.5389169158712632
Energy: 1.39883553710341
Energy: 1.3185279649713129
Energy: 1.396593642433312
Energy: 1.3190832932106775
Energy: 1.397796834268853

minimum gb energy = 1.230988700332203 eV
minimum distance =  2.24283083723112 Angstroms
sigma value = 9


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

Energy: 1.8668183407867995
Energy: 1.7566346426870187
Energy: 1.365315460551459
Energy: 1.366012737879332
Energy: 1.4230590441678084
Energy: 1.7553628688118694
Energy: 1.2489870336319737
Energy: 1.3960162287791218
Energy: 1.395480714460574
Energy: 1.3009695036111564
Energy: 1.3941851954710751
Energy: 1.3960135384450072
Energy: 1.2907758749357885
Energy: 1.289483412621719
Energy: 1.3967849025139012
Energy: 1.3977532721667623
Energy: 1.3900462204105677
Energy: 1.2900277175800128
Energy: 1.2876398585469357
Energy: 1.28994654116914
Energy: 1.356731533570042
Energy: 1.3008402616137298
Energy: 1.3379381169748432
Energy: 1.290625847072604
Energy: 1.287936500397426
Energy: 1.3625907879218542
Energy: 1.337609464152657
Energy: 1.29056280599062
Energy: 1.3257940375231922
Energy: 1.356476731153828
Energy: 1.295924037034162
Energy: 1.3366038798639264
Energy: 1.3393526387244978
Energy: 1.2882035311659348
Energy: 1.3679835620604146
Energy: 1.329927692264205
Energy: 1.2886673448088244
Energy: 1.2889425568024846
Energy: 1.2932445616374897
Energy: 1.292799308158826
Energy: 1.3218360435144485
Energy: 1.3374435791810861
Energy: 1.2882522609398073
Energy: 1.5834801439176516
Energy: 1.2911551603151141
Energy: 1.2885648935552
Energy: 1.391548844415172
Energy: 1.2959996756256589
Energy: 1.292388969842687
Energy: 1.2885069374497509
Energy: 1.3956162190772172
Energy: 1.2911301648597167
Energy: 1.3946331340472005
Energy: 1.2955072538170411
Energy: 1.2955751925162409
Energy: 1.2925567302224368
Energy: 1.3952261114241418
Energy: 1.2911908930904028
Energy: 1.3942996058403723
Energy: 1.29879393104465
Energy: 1.2486583415389116
Energy: 1.5845247106976321
Energy: 1.2920976084561484
Energy: 1.2891451953156998
Energy: 1.2896637463428506
Energy: 1.320564201748883
Energy: 1.2486071680253803
Energy: 1.3951718046939163
Energy: 1.302425037932308
Energy: 1.3031296429978014
Energy: 1.3943107245229958
Energy: 1.3497237146609622
Energy: 1.2879214535046009
Energy: 1.3913123401160143
Energy: 1.3937879044846002
Energy: 1.3185895470973579
Energy: 1.3897743608874242
Energy: 1.2909905025554234
Energy: 1.2922628557815632
Energy: 1.2901145537127554
Energy: 1.3372612899137941
Energy: 1.3180963484286559
Energy: 1.2892491841142952
Energy: 1.3211934716312095
Energy: 1.2876359712661156
Energy: 1.35943988450112
Energy: 1.3258122035587105
Energy: 1.290733550556027
Energy: 1.3379113967693705
Energy: 1.3373916878423624
Energy: 1.2876792340161578
Energy: 1.3229290671938474
Energy: 1.3587773003602146
Energy: 1.3603058852151644
Energy: 1.36439093925707
Energy: 1.3281378876487941
Energy: 1.2978757615675083
Energy: 1.3375863987512877
Energy: 1.2918959968165222
Energy: 1.2907992993776691
Energy: 1.2904384202687513
Energy: 1.3583971469315113
Energy: 1.2952648147261039
Energy: 1.5791976890609272
Energy: 1.290713078039387
Energy: 1.288654708347929
Energy: 1.2902180661592606
Energy: 1.5821364910185602
Energy: 1.2958464866536972
Energy: 1.2954186957085887
Energy: 1.3941009925133978
Energy: 1.289338747383501
Energy: 1.395699292070889
Energy: 1.2974467609977083
Energy: 1.4215131463141324
Energy: 1.2964237599543529
Energy: 1.2890075773786802
Energy: 1.29289650892954
Energy: 1.2959950651994954
Energy: 1.2959441100966371
Energy: 1.248829369049058
Energy: 1.3964290881808412
Energy: 1.2973123535729345
Energy: 1.2887466940390209
Energy: 1.394443873164889
Energy: 1.2972125315755139

minimum gb energy = 1.2486071680253803 eV
minimum distance =  2.2583350801587 Angstroms
sigma value = 27


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

Energy: 1.5604967074375662
Energy: 1.2708663033762377
Energy: 1.3236164466007247
Energy: 1.32453052062955
Energy: 1.32366774860528
Energy: 1.7441333587876555
Energy: 1.2507687693704117
Energy: 1.3765833394209737
Energy: 1.377672524573384
Energy: 1.2621094497013061
Energy: 1.3766435330896285
Energy: 1.3773837740215777
Energy: 1.255503338941276
Energy: 1.255663879330777
Energy: 1.441099177179264
Energy: 1.436946227784783
Energy: 1.3765362801942012
Energy: 1.255823157334069
Energy: 1.2599482537032582
Energy: 1.259999471135648
Energy: 1.3288696141686052
Energy: 1.2616614461859583
Energy: 1.391519456477998
Energy: 1.2609966233634842
Energy: 1.2472656563151514
Energy: 1.3917344827442315
Energy: 1.2524074555605336
Energy: 1.253244568036495
Energy: 1.3300391714136162
Energy: 1.3937437992805588
Energy: 1.2600737912226285
Energy: 1.2533957781174652
Energy: 1.2525069535378632
Energy: 1.2544765949766306
Energy: 1.3510262459771778
Energy: 1.2586586701574387
Energy: 1.2607595994975356
Energy: 1.354318690829466
Energy: 1.304609056841456
Energy: 1.2522629525787394
Energy: 1.3036689194153286
Energy: 1.3693824802019579
Energy: 1.26064511336296
Energy: 1.3924018326500676
Energy: 1.3517125624227007
Energy: 1.2613350133613166
Energy: 1.3922812196588117
Energy: 1.3674567463765983
Energy: 1.2545356951475395
Energy: 1.2549940388736673
Energy: 1.2612699620456354
Energy: 1.2720783404741423
Energy: 1.2609991039589752
Energy: 1.255192858643711
Energy: 1.254201752240592
Energy: 1.2623831888229011
Energy: 1.4834691213802713
Energy: 1.2616018214618914
Energy: 1.3762887602042888
Energy: 1.338217154828165
Energy: 1.3689379087455618
Energy: 1.376240361659458
Energy: 1.384825895618849
Energy: 1.3839683135897338
Energy: 1.2555586604510443
Energy: 1.5870204491770519
Energy: 1.369147745284832
Energy: 1.4817872619630696
Energy: 1.384912734871696
Energy: 1.2625553944182457
Energy: 1.2556151971528842
Energy: 1.3788192817272393
Energy: 1.3225002778402208
Energy: 1.2561484891390793
Energy: 1.2527333866651025
Energy: 1.2510769910438881
Energy: 1.3759572160987537
Energy: 1.2567686430085712
Energy: 1.2617668326935663
Energy: 1.2622156067075487
Energy: 1.4816896985386376
Energy: 1.2473706202870636
Energy: 1.377585959564385
Energy: 1.263114402845684
Energy: 1.2550649948544572
Energy: 1.37630687239733
Energy: 1.2557182955215032
Energy: 1.2540852853904567
Energy: 1.3779863407786
Energy: 1.437767079272029
Energy: 1.2526874164225077
Energy: 1.3678346813841515
Energy: 1.260797258144222
Energy: 1.2609935971477981
Energy: 1.261214783784446
Energy: 1.391951333113282
Energy: 1.2530863932821896
Energy: 1.3287576257830975
Energy: 1.3914887026928349
Energy: 1.2476387791052916
Energy: 1.3919953577219109
Energy: 1.251895084948366
Energy: 1.2516966644287544
Energy: 1.3034043798975719
Energy: 1.252933281834662
Energy: 1.2596003659489154
Energy: 1.2522562426970048
Energy: 1.3036711184965333
Energy: 1.25136457239203
Energy: 1.3036486469562407
Energy: 1.253520586891267
Energy: 1.2611939532629377
Energy: 1.2522181980992315
Energy: 1.3030802969223887
Energy: 1.2527492291272984
Energy: 1.3292499062133492
Energy: 1.3915186112277789
Energy: 1.2616389078640036
Energy: 1.392007232199208
Energy: 1.3502594068049087
Energy: 1.261721940697101
Energy: 1.3680241612217987
Energy: 1.2605761380835765
Energy: 1.259169498176604
Energy: 1.2601189970882887
Energy: 1.391722060887805
Energy: 1.2553596739958734
Energy: 1.6019887859712993
Energy: 1.2570357047452236
Energy: 1.25453133620368
Energy: 1.255075251163182
Energy: 1.6006516376284936
Energy: 1.2547290499332096
Energy: 1.2546979141864174
Energy: 1.3757632898395944
Energy: 1.3694856469353183
Energy: 1.4840342127903365
Energy: 1.254901537232823
Energy: 1.3836214682478483
Energy: 1.3852573994716115
Energy: 1.585412982582495
Energy: 1.368611575428462
Energy: 1.3852733878178274
Energy: 1.3849215219257571
Energy: 1.247077651035065
Energy: 1.4837916048863131
Energy: 1.263343419515209
Energy: 1.2549742098508325
Energy: 1.3789109607762384
Energy: 1.4377977772393353

minimum gb energy = 1.247077651035065 eV
minimum distance =  2.22391465799333 Angstroms
sigma value = 19


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

Energy: 1.6941299260633895
Energy: 1.2494408049087087
Energy: 1.3017967718707366
Energy: 1.301649564724912
Energy: 1.301816901956261
Energy: 1.2496447238866903
Energy: 1.269078146698841
Energy: 1.412871132365842
Energy: 1.2739868438815396
Energy: 1.2732707877555156
Energy: 1.2745517224711995
Energy: 1.2390382121976924
Energy: 1.21336946153063
Energy: 1.213557006543211
Energy: 1.520069990991394
Energy: 1.5206439725443563
Energy: 1.3747860613146226
Energy: 1.21490403668247
Energy: 1.2176716822834193
Energy: 1.217819505625965
Energy: 1.4179904391799882
Energy: 1.2125367556402653
Energy: 1.4205982612936996
Energy: 1.2175782498524232
Energy: 1.1959562461316546
Energy: 1.4173767300960083
Energy: 1.226731177494479
Energy: 1.2126253118434944
Energy: 1.275583535425389
Energy: 1.4203012761617806
Energy: 1.2233474721026087
Energy: 1.2125268196796186
Energy: 1.2125692627737659
Energy: 1.2125800175905437
Energy: 1.213465135780153
Energy: 1.2155871036221952
Energy: 1.21484375487445
Energy: 1.303993988341513
Energy: 1.3387562649786997
Energy: 1.2125422037948355
Energy: 1.3486923593860172
Energy: 1.3045069196014534
Energy: 1.2148500818850252
Energy: 1.3037756436829993
Energy: 1.212734648578488
Energy: 1.2126631380547463
Energy: 1.306128519683509
Energy: 1.2153116208998604
Energy: 1.22799850024628
Energy: 1.2563892167412454
Energy: 1.1812311314175254
Energy: 1.212749274246472
Energy: 1.2149643011679734
Energy: 1.262147418033104
Energy: 1.233445692948063
Energy: 1.3209083820576026
Energy: 1.3616155742735045
Energy: 1.214447924071135
Energy: 1.4191490703212708
Energy: 1.216238887689216
Energy: 1.2100898233129815
Energy: 1.2133086684680736
Energy: 1.199273160703504
Energy: 1.1936539980620473
Energy: 1.1989179915074768
Energy: 1.1811769838827006
Energy: 1.2075077458384822
Energy: 1.3690121595839515
Energy: 1.1808830018332124
Energy: 1.1939573740301028
Energy: 1.180896595291
Energy: 1.3648292756475575
Energy: 1.180836523626813
Energy: 1.342582684250558
Energy: 1.1990974873043525
Energy: 1.3821933666593618
Energy: 1.2358125374903435
Energy: 1.342432918978995
Energy: 1.4121043686500279
Energy: 1.183728571620649
Energy: 1.4555688781836478
Energy: 1.381589806522589
Energy: 1.4575408488023305
Energy: 1.1982083705801507
Energy: 1.2087547179389166
Energy: 1.1808346173460327
Energy: 1.1937517330124299
Energy: 1.1940276097434743
Energy: 1.1938045915985664
Energy: 1.1813647566259207
Energy: 1.2469556984200854
Energy: 1.456166166428803
Energy: 1.1829097637887376
Energy: 1.1940915386279196
Energy: 1.1816650724469768
Energy: 1.455552387193327
Energy: 1.27152392190561
Energy: 1.1809424536332138
Energy: 1.3620556250220746
Energy: 1.2500592437411093
Energy: 1.1998933138741263
Energy: 1.2250256449505075
Energy: 1.2624895328221681
Energy: 1.2113022224712666
Energy: 1.295582436372766
Energy: 1.2491605837120918
Energy: 1.2386112615383857
Energy: 1.2110590081455395
Energy: 1.1962515313655961
Energy: 1.2944592181343437
Energy: 1.1938754082674938
Energy: 1.194448119878479
Energy: 1.1939058075257492
Energy: 1.44502236900879
Energy: 1.2111598306861786
Energy: 1.295476259552755
Energy: 1.211785672138253
Energy: 1.2113438407142259
Energy: 1.2123207319438556
Energy: 1.3204061232374695
Energy: 1.2145641842215207
Energy: 1.311099687992898
Energy: 1.3323887385905444
Energy: 1.2009613139826518
Energy: 1.3327006904322856
Energy: 1.3247836501611039
Energy: 1.231494851734711
Energy: 1.3382616025690073
Energy: 1.3096278840307016
Energy: 1.211316105056377
Energy: 1.3051962402787871
Energy: 1.2135895975758597
Energy: 1.2140224238656891
Energy: 1.2139951950560197
Energy: 1.3948587372794303
Energy: 1.2273196563215707
Energy: 1.2143100412740824
Energy: 1.2144237476394861
Energy: 1.2140133516474896
Energy: 1.2609281540148096
Energy: 1.423001092923775
Energy: 1.2267088978190241
Energy: 1.4223664975603663
Energy: 1.2145546457769172
Energy: 1.2383543191248092
Energy: 1.3851664329907754
Energy: 1.2160965005139996
Energy: 1.2276952092037376
Energy: 1.2160124034861943
Energy: 1.4224775695859475
Energy: 1.210115566553015
Energy: 1.3386595334708686
Energy: 1.208618294792658
Energy: 1.2088905937933363
Energy: 1.3351347065898604
Energy: 1.362956643822007
Energy: 1.352817630486701
Energy: 1.220777817739752
Energy: 1.527647668944499
Energy: 1.3818691327599482
Energy: 1.3749832110590359
Energy: 1.3531695315120915
Energy: 1.3531999772897763
Energy: 1.352437459119428
Energy: 1.201348832378494
Energy: 1.3819509968301498
Energy: 1.3750133297470561
Energy: 1.352307387722868
Energy: 1.2723320038136463
Energy: 1.2736840726293919
Energy: 1.271683042635636
Energy: 1.304704135658187
Energy: 1.2745110439754452
Energy: 1.3613113458606987

minimum gb energy = 1.1808346173460327 eV
minimum distance =  2.21854702850111 Angstroms
sigma value = 101


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

Energy: 1.4192800962169545
Energy: 1.139512283251812
Energy: 1.2246098660196718
Energy: 1.2251275950558256
Energy: 1.2246676876384184
Energy: 1.4610075529307305
Energy: 1.2821579923429118
Energy: 1.1459627981463891
Energy: 1.141061585698648
Energy: 1.1411323554868413
Energy: 1.139548093213149
Energy: 1.1431389742105271
Energy: 1.1402631174680529
Energy: 1.1418310968565912
Energy: 1.1319652942226877
Energy: 1.4647943260419718
Energy: 1.1426450614890327
Energy: 1.1419466573772936
Energy: 1.1418455191234484
Energy: 1.1427705742019565
Energy: 1.1421159897423925
Energy: 1.1416134273289686
Energy: 1.142872968783874
Energy: 1.1425499946436413
Energy: 1.1320086836027434
Energy: 1.142471145211315
Energy: 1.1437543694732373
Energy: 1.1419298757418366
Energy: 1.1441883676333207
Energy: 1.3508259984136648
Energy: 1.141521335395427
Energy: 1.3159756465628116
Energy: 1.1411294896746127
Energy: 1.1415289826213098
Energy: 1.1360713324770348
Energy: 1.1437479252526135
Energy: 1.1426477330639793
Energy: 1.143556895035918
Energy: 1.3156272286516273
Energy: 1.2742022008359792
Energy: 1.2421789980137143
Energy: 1.1440317129322841
Energy: 1.1435261367059626
Energy: 1.1432295598180242
Energy: 1.1411523746037038
Energy: 1.1366645292223805
Energy: 1.144427968462858
Energy: 1.1435843798062406
Energy: 1.141653583419895
Energy: 1.2110852199932205
Energy: 1.2387481158681974
Energy: 1.1414396050838047
Energy: 1.1432910779304493
Energy: 1.2139699516800595
Energy: 1.1415523392105682
Energy: 1.2320240173662538
Energy: 1.1418202221482443
Energy: 1.1416063589160985
Energy: 1.314326754258541
Energy: 1.142764521896794
Energy: 1.1414906004042644
Energy: 1.1370611101304533
Energy: 1.1449100813575075
Energy: 1.145968233851759
Energy: 1.1453431333583184
Energy: 1.141449797252075
Energy: 1.1418022005008162
Energy: 1.1360180771464672
Energy: 1.1408976705190006
Energy: 1.1405820879407573
Energy: 1.140440341859087
Energy: 1.1426793117635683
Energy: 1.1416913944037332
Energy: 1.1421977014162583
Energy: 1.142066476141526
Energy: 1.1410444936702415
Energy: 1.1425086354042058
Energy: 1.1426118101522709
Energy: 1.1392654347999358
Energy: 1.2384723886446138
Energy: 1.4117060406641677
Energy: 1.140237728461132
Energy: 1.1425363202812513
Energy: 1.238128604387222
Energy: 1.279909846033026
Energy: 1.1415751339720461
Energy: 1.1413202607847441
Energy: 1.2195447949533995
Energy: 1.1418078960359794
Energy: 1.1421562881261513
Energy: 1.2799782924334064
Energy: 1.5263347352334788
Energy: 1.1419807525123267
Energy: 1.1381720507043194
Energy: 1.1459605036759137
Energy: 1.1418935438650781
Energy: 1.2185152767219691
Energy: 1.1406014292380902
Energy: 1.1397118974050486
Energy: 1.1387074827651413
Energy: 1.1386271258129164
Energy: 1.2245246607884177
Energy: 1.139253552918645
Energy: 1.1407232698356267
Energy: 1.136096631297371
Energy: 1.2826336849950541
Energy: 1.141379646236103
Energy: 1.1416264365002498
Energy: 1.138648562173788
Energy: 1.1412811479408638
Energy: 1.1418785756260201
Energy: 1.1400330065292614
Energy: 1.1429335728197123
Energy: 1.4652916069491675
Energy: 1.1386060560730302
Energy: 1.4117985843507646
Energy: 1.1426241428429011
Energy: 1.1419672177449613
Energy: 1.1423791106037267
Energy: 1.1426223577796177
Energy: 1.141122991150094
Energy: 1.143959384779857
Energy: 1.1393284083194959
Energy: 1.1324726664490112
Energy: 1.138700391787685
Energy: 1.1447294658329
Energy: 1.1410400103289404
Energy: 1.1413439470997522
Energy: 1.3138296804883567
Energy: 1.142224483388381
Energy: 1.1414891580690285
Energy: 1.141282954386717
Energy: 1.1413783047008843
Energy: 1.3138253301362985
Energy: 1.1430375841034368
Energy: 1.144206070729286
Energy: 1.1431524028731836
Energy: 1.3138038851758267
Energy: 1.140727876349348
Energy: 1.2191662703236352
Energy: 1.1436673915094764
Energy: 1.1429681786236963
Energy: 1.1434744522010076
Energy: 1.1418292561021421
Energy: 1.1411432082334483
Energy: 1.217998814600444
Energy: 1.2126734642245753
Energy: 1.1432425127605368
Energy: 1.1431920622471887
Energy: 1.2509438617223814
Energy: 1.1408449831935168
Energy: 1.3142500285982888
Energy: 1.1435839659697582
Energy: 1.1442795619064778
Energy: 1.1427915339224124
Energy: 1.2712308549254359
Energy: 1.1357098653674949
Energy: 1.1418244108706597
Energy: 1.1416089174586563
Energy: 1.142144754978311
Energy: 1.1416422690035015
Energy: 1.1416828125064735
Energy: 1.140327357147585
Energy: 1.1406140837388843
Energy: 1.1388942778108433
Energy: 1.1415679402756755
Energy: 1.1442545037779017
Energy: 1.1438755583152613
Energy: 1.141192705920664
Energy: 1.1425435433223574
Energy: 1.142492214343419
Energy: 1.1419576182068503
Energy: 1.14256088487441
Energy: 1.4120485134450143
Energy: 1.1399443555074458
Energy: 1.14215389011208
Energy: 1.2377075278754792
Energy: 1.139989339160685
Energy: 1.1387506931149551
Energy: 1.1419257351248817
Energy: 1.1401203722383415
Energy: 1.1409984511006597
Energy: 1.1414921986879134
Energy: 1.2799644986866867
Energy: 1.14185896460337
Energy: 1.1422643024909462
Energy: 1.1410815246273265
Energy: 1.1399165928947448
Energy: 1.1416175749016366
Energy: 1.2797100888065425
Energy: 1.141533066517741
Energy: 1.141994676285883
Energy: 1.1382628664611332
Energy: 1.1440707843346725
Energy: 1.1409268525778693
Energy: 1.2193136515110188
Energy: 1.140804437016181
Energy: 1.1325562128136588

minimum gb energy = 1.1319652942226877 eV
minimum distance =  2.27716312814079 Angstroms
sigma value = 33


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

Energy: 0.014841846189204635
Energy: 0.015767767204450212
Energy: 0.08846453392544106
Energy: 0.08859320395613567
Energy: 0.08969591482769002
Energy: 0.015325174851965315
Energy: 0.015047529240083499
Energy: 0.1056447463855015
Energy: 0.10660633121484414
Energy: 0.10733965613981696
Energy: 0.10575299100482158
Energy: 0.10642037049999241
Energy: 0.6908137450963704
Energy: 0.0915722372577535
Energy: 0.015541717990665359
Energy: 0.016383169281896006
Energy: 0.08952471530810067
Energy: 0.08843682228254818
Energy: 0.10593800081247054
Energy: 0.10564474638483583
Energy: 0.1066063312141393
Energy: 0.10733965613981696
Energy: 0.10575299100482158
Energy: 0.10642037049999241

minimum gb energy = 0.014841846189204635 eV
minimum distance =  2.45656216259402 Angstroms
sigma value = 1