Model name: model_name=MJ_MorrisAgaLevashov_2008_Fe__MO_857282754307_003
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=2.8599998205900192
cohesive_energy=1.5373099021567544
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 6.940228634329499e-21, 3.1938910545799796e-20, 5.957693813528999e-20, 8.253725082415379e-20, 1.0061236673828819e-19, 1.1601809616251518e-19, 1.313317004302872e-19, 1.46930812574238e-19, 1.62281266904592e-19, 1.7677295455912198e-19, 1.89960470433576e-19, 2.0158906844314796e-19, 2.1157383322623598e-19, 2.19956421375324e-19, 2.26863404844498e-19, 2.32482238299936e-19, 2.37000376407816e-19, 2.40523562825982e-19, 2.43139917269304e-19, 2.44927946392848e-19, 2.45954941615242e-19, 2.46284990001846e-19, 2.45938919848902e-19, 2.44835020148076e-19, 2.4287075159479196e-19, 2.399259509415e-19, 2.35817970051924e-19, 2.3004212328635397e-19, 2.2190466816226795e-19, 2.1061412942247e-19, 1.9526848162201797e-19, 1.7483592300861598e-19, 1.4814013549758119e-19, 1.138368928929876e-19, 7.039771868599919e-20, 1.6076080127892598e-20, -5.11103959305804e-20, -1.3340988374224858e-19, -2.31975950483592e-19, -3.4605573335429396e-19, -4.7841795379557e-19, -6.354152421612299e-19, -8.2701954582129e-19, -1.0748987015739658e-18, -1.4280376578271739e-18, -1.93055875690464e-18, -2.6160179862288597e-18, -3.5780129025814795e-18, -5.141256644375279e-18, -7.963170349839478e-18, -1.3475715407377919e-17, -2.5404753579357598e-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: 0.004736058772477167
Energy: 0.004778046406359763
Energy: 0.1725171858576592
Energy: 0.17251205185350663
Energy: 0.17256888133174833
Energy: 0.004770343911236286
Energy: 0.0047780464044043175
Energy: 0.8623496627938915
Energy: 0.172515381178814
Energy: 0.17253490640092387
Energy: 0.17251316276713327
Energy: 0.17252416319171682
Energy: 0.17251718589291984
Energy: 0.17251508774024124
Energy: 0.8622712138823585
Energy: 0.004809495960289838
Energy: 0.1725062658799701
Energy: 0.17251803107891883
Energy: 0.17251204095060793
Energy: 0.17253490640092387
Energy: 0.004809495960289838
Energy: 0.00480880169362814
Energy: 0.17256129248141794
Energy: 0.17251807004435318
Energy: 0.1725688812857223
Energy: 0.17251924376925673
Energy: 0.1725062658799701
Energy: 0.17256129248141794
Energy: 0.8623342272774767
Energy: 0.1725351584907424
Energy: 0.004770343911236286
Energy: 0.1725241631922109
Energy: 0.17252097663196153
Energy: 0.17251807004435318
Energy: 0.17253515848633744
Energy: 0.0048389199567843225

minimum gb energy = 0.004736058772477167 eV
minimum distance =  2.47572521388032 Angstroms
sigma value = 1


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

Energy: 1.6531952860249888
Energy: 1.3129725083202441
Energy: 1.1563285958092981
Energy: 1.1560992857583876
Energy: 1.2304802608120153
Energy: 1.3133374733923397
Energy: 1.3932246972560547
Energy: 1.3448769890615704
Energy: 1.2157801605233645
Energy: 1.1453381946685521
Energy: 1.2155444609890604
Energy: 1.3612514678867016
Energy: 1.219794988885334
Energy: 1.2154742996106538
Energy: 1.215557274325945
Energy: 1.2470512859974157
Energy: 1.2158110293106015
Energy: 1.2338205754183742
Energy: 1.1559739601560426
Energy: 1.2464598651394825
Energy: 1.337560816714497
Energy: 1.775800798736991
Energy: 1.2305916904027174
Energy: 1.1562478312577067
Energy: 1.2214318212990667
Energy: 1.139362096115378
Energy: 1.2159528835261884
Energy: 1.3075240646470065
Energy: 1.373666003765529
Energy: 1.13928251324918
Energy: 1.2481707960984532
Energy: 1.3284317530995373
Energy: 1.385778333233831
Energy: 1.1447590700657542
Energy: 1.328457777367777
Energy: 1.3278417371209936
Energy: 1.2478818347517715
Energy: 1.3281503525145621
Energy: 1.297360976869418
Energy: 1.4312795612763158
Energy: 1.3279119029073023
Energy: 1.3283650916077103
Energy: 1.2218396133237857
Energy: 1.131823343351274
Energy: 1.1454426602862822
Energy: 1.220160360023414
Energy: 1.2690102856592045
Energy: 1.1321046564292538
Energy: 1.0943454417848442
Energy: 1.3280348345295567
Energy: 1.3522924296230248
Energy: 1.419665326125869
Energy: 1.3282287349637603
Energy: 1.328025552978632
Energy: 1.3834906725475733
Energy: 1.3345086991057586
Energy: 1.327971812864314
Energy: 1.1458632530787984
Energy: 1.3529681143764143
Energy: 1.3563919183257758
Energy: 1.2213203900090484
Energy: 1.411202980269877
Energy: 1.2215136647364446
Energy: 1.2195747253271545
Energy: 1.2217554079725177
Energy: 1.1402210448896473
Energy: 1.1394059078093999
Energy: 1.1393507781177061
Energy: 1.3070867117694351
Energy: 1.3933488828554805
Energy: 1.2156868847854516
Energy: 1.139523411378849
Energy: 1.1450997189454528
Energy: 1.215821711206802
Energy: 1.3071665836791908
Energy: 1.3933996218141491
Energy: 1.2155776423053803
Energy: 1.1451626293953134
Energy: 1.1450723627506063
Energy: 1.2160193259005008
Energy: 1.2220079497862857
Energy: 1.108840475393289
Energy: 1.2249044553014314
Energy: 1.215590597260329
Energy: 1.441871463703429
Energy: 1.2309772920343336
Energy: 1.2466883839358773
Energy: 1.1558205635269772
Energy: 1.2468680551571116
Energy: 1.3370831969707961
Energy: 1.2479904308346865
Energy: 1.2310777422753967
Energy: 1.2337019501623145
Energy: 1.1400598900835424
Energy: 1.215553775191716
Energy: 1.344757767760726
Energy: 1.1450021657419576
Energy: 1.2156734046687039
Energy: 1.2218146207533427
Energy: 1.2211865903241463
Energy: 1.3281019555663913
Energy: 1.2544060699385131
Energy: 1.1452484327368635
Energy: 1.3004182838572638
Energy: 1.3281660399697368
Energy: 1.3274523334658717
Energy: 1.3281090750884208
Energy: 1.2999764847113056
Energy: 1.1450721554933148
Energy: 1.3001342461171688
Energy: 1.3278484903189571
Energy: 1.2484478606893237
Energy: 1.3281710638517767
Energy: 1.3002792468546
Energy: 1.220420051153833
Energy: 1.3005695896257778
Energy: 1.131776232896858
Energy: 1.2226057579315077
Energy: 1.3315178336282318
Energy: 1.4306594630223706
Energy: 1.4196515309134947
Energy: 1.3526662691128037
Energy: 1.3572364689981467
Energy: 1.6401915648636312
Energy: 1.3281364443099732
Energy: 1.2976924847421607
Energy: 1.220187532316403
Energy: 1.3278074904542099
Energy: 1.328440724921969
Energy: 1.096517623187716
Energy: 1.3281270444116375
Energy: 1.2339090270719677
Energy: 1.3938053988912587
Energy: 1.345426875805214
Energy: 1.1390525076856008
Energy: 1.1394235319975243
Energy: 1.1393268318647425
Energy: 1.3610871057850595

minimum gb energy = 1.0943454417848442 eV
minimum distance =  2.27263065150853 Angstroms
sigma value = 33


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

Energy: 2.071960412985484
Energy: 1.3274682815705767
Energy: 1.2020143061833959
Energy: 1.2015988129804227
Energy: 1.2626625153057212
Energy: 1.3991550206608114
Energy: 1.497882804356228
Energy: 1.3888673775400033
Energy: 1.2266156168899236
Energy: 1.1937296553420988
Energy: 1.2266317731185135
Energy: 1.3692496395446543
Energy: 1.3218451312874895
Energy: 1.3496037692714957
Energy: 1.3470364695827683
Energy: 1.2322490027128319
Energy: 1.3469961538842756
Energy: 1.3851693971323293
Energy: 1.2335365306261656
Energy: 1.2867711369768846
Energy: 1.3473364072322274
Energy: 1.4085306129387676
Energy: 1.3470828311703889
Energy: 1.27057271000043
Energy: 1.295801595971695
Energy: 1.2704810424488362
Energy: 1.2267194902112353
Energy: 1.3972593184166409
Energy: 1.5650116127277047
Energy: 1.2317505829064261
Energy: 1.1930888858586033
Energy: 1.4148344519718616
Energy: 1.4616061330432024
Energy: 1.1928780349226824
Energy: 1.4134460485588936
Energy: 1.4424091544893298
Energy: 1.1933421283060643
Energy: 1.4245491715703058
Energy: 1.4428726605479407
Energy: 1.5569879594502691
Energy: 1.4168300370082683
Energy: 1.442367175598484
Energy: 1.1931665747025177
Energy: 1.2273160876997697
Energy: 1.5272824800603277
Energy: 1.1929618830410398
Energy: 1.442423256103945
Energy: 1.2368593717708456
Energy: 1.3181125881555755
Energy: 1.3472545941586418
Energy: 1.3187480508491791
Energy: 1.232003823003308
Energy: 1.3190545355351175
Energy: 1.3880239413702977
Energy: 1.442598362554897
Energy: 1.3470651386183856
Energy: 1.3067290399169929
Energy: 1.2626022142393178
Energy: 1.349968761946852
Energy: 1.3896434900276329
Energy: 1.2472739524827237
Energy: 1.2264902160947682
Energy: 1.3673393479308715
Energy: 1.3215830411041545
Energy: 1.347169123794521
Energy: 1.2644983769990328
Energy: 1.1934336452168948
Energy: 1.2267342628931297
Energy: 1.226538169801929
Energy: 1.542432905145813
Energy: 1.2436988637988868
Energy: 1.1932365750099034
Energy: 1.1629702971512261
Energy: 1.2268826407218383
Energy: 1.2271461642906227
Energy: 1.3523122676711
Energy: 1.244275747835268
Energy: 1.162911228577967
Energy: 1.2500828680676197
Energy: 1.2017794901221346
Energy: 1.3677163486515782
Energy: 1.3218632827079553
Energy: 1.3470469033333654
Energy: 1.2499079667095354
Energy: 1.6888704733482651
Energy: 1.402190982360067
Energy: 1.385834108919723
Energy: 1.2625143432645227
Energy: 1.4297723920640655
Energy: 1.402282116233328
Energy: 1.2345505358204636
Energy: 1.4020345197609627
Energy: 1.4038715665058767
Energy: 1.4434467727520413
Energy: 1.3852545652254387
Energy: 1.4019032283589667
Energy: 1.2159200266566543
Energy: 1.2898044682619294
Energy: 1.393642512662844
Energy: 1.328098641768803
Energy: 1.4068685925013742
Energy: 1.1791917823063098
Energy: 1.1458805951387354
Energy: 1.4021859594154908
Energy: 1.3991255205841358
Energy: 1.4197290793622215
Energy: 1.409148189225644
Energy: 1.4228315661753208
Energy: 1.1460525194585114
Energy: 1.4020327511621207
Energy: 1.470831839767262
Energy: 1.2623824858643935
Energy: 1.4031531589737607
Energy: 1.4058866442442606
Energy: 1.1630228142803327
Energy: 1.1631256796252474
Energy: 1.3561450392895773
Energy: 1.4626801003157084
Energy: 1.4212702475396821
Energy: 1.1633342754107687
Energy: 1.1967154644310627
Energy: 1.1973660456144843
Energy: 1.2964846284992282
Energy: 1.8883100054306212
Energy: 1.2438094802771968
Energy: 1.163210104170537
Energy: 1.1930993338265068
Energy: 1.2267201372234644
Energy: 1.3877535663567124
Energy: 1.316090694775053
Energy: 1.2264820032582449
Energy: 1.2371702538638836
Energy: 1.3917185341246132
Energy: 1.3471659422475248
Energy: 1.3496502093018328
Energy: 1.3299740621168465
Energy: 1.3469685372316966
Energy: 1.3188434260854607
Energy: 1.9452091774376215
Energy: 1.361933595079597
Energy: 1.28617318593144
Energy: 1.2490120728725793
Energy: 1.3638553581633222
Energy: 1.4076397912028473
Energy: 1.3922041882842162
Energy: 1.3471944380698153
Energy: 1.2704451747024539
Energy: 1.2318779036995813
Energy: 1.2702872755013022
Energy: 1.3188486994778854
Energy: 1.1932003124470028
Energy: 1.413529458017067
Energy: 1.4422237625045629
Energy: 1.1938296188871256
Energy: 1.4204911266399758
Energy: 1.1936576440168654
Energy: 1.5559922285189196
Energy: 1.44182868521099
Energy: 1.4452788996261556
Energy: 1.6750537409990716
Energy: 1.4146997182024277
Energy: 1.441932269241606
Energy: 1.1929424298305897
Energy: 1.4422920877604297
Energy: 1.2269109910968414
Energy: 1.1935984631890137
Energy: 1.4134030009818117
Energy: 1.527119178909647
Energy: 1.2320680113193647
Energy: 1.3190647652885514
Energy: 1.418295486411685
Energy: 1.317716978389121
Energy: 1.347270832365414
Energy: 1.2316855656255663
Energy: 1.2491599789883077
Energy: 1.3428178365907721
Energy: 1.3890792971146073
Energy: 1.8161700179838514
Energy: 1.347101748750324
Energy: 1.2482372496695833
Energy: 1.3217902716820207
Energy: 1.3471152035447294
Energy: 1.2586951729336922
Energy: 1.2479811950247344
Energy: 1.3471353308895697
Energy: 1.3504222401543513
Energy: 1.408399366646911
Energy: 1.2437175309220554
Energy: 1.2264831145593715
Energy: 1.1929925001801278
Energy: 1.226588530918476
Energy: 1.34715600700865
Energy: 1.2982164765892907
Energy: 1.243757238824213
Energy: 1.2436854682112686
Energy: 1.180578326296021
Energy: 1.243760517979244
Energy: 1.3469845278920145
Energy: 1.3250109642489345
Energy: 1.349896559104222
Energy: 1.1805225943332875
Energy: 1.1809755581011436
Energy: 1.1806590674489057
Energy: 1.3887932623600037
Energy: 1.2628683200429105
Energy: 1.4263539218897197
Energy: 1.4022594536247937
Energy: 1.3570863752371463
Energy: 1.402012483313888
Energy: 1.3859863916089321
Energy: 1.4183833234004524
Energy: 1.3851944629839565
Energy: 1.4022324684245329
Energy: 1.2335940798738199
Energy: 1.4019417373871668
Energy: 1.3912238784087718
Energy: 1.410855665890457
Energy: 1.3926273726917782
Energy: 1.1791978491785426
Energy: 1.284550669873055
Energy: 1.4429383087462528
Energy: 1.2629839427367624
Energy: 1.419298860995011
Energy: 1.4070054307817852
Energy: 1.4022673018382494
Energy: 1.1468858637519153
Energy: 1.4019533845924386
Energy: 1.4003800767377874
Energy: 1.2626063867354205
Energy: 1.4054667831892333
Energy: 1.4032168080538958
Energy: 1.1451171162309393
Energy: 1.4030779660185715
Energy: 1.4073646035233442
Energy: 1.3218975656964844
Energy: 1.3498573235856612
Energy: 1.1806426457055905
Energy: 1.1966458362023837
Energy: 1.1804764798239857
Energy: 1.3500927530022502
Energy: 1.3727545744359952
Energy: 1.2436745667391313
Energy: 1.163053903918235
Energy: 1.1630769822845626
Energy: 1.2266691433592978
Energy: 1.3898808107410798

minimum gb energy = 1.1451171162309393 eV
minimum distance =  2.27152759802737 Angstroms
sigma value = 51


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

Energy: 1.9999583289709375
Energy: 1.5399878599333
Energy: 1.3444369210237108
Energy: 1.2943839246312976
Energy: 1.3689323890886218
Energy: 1.5402298008822635
Energy: 1.1451160281316421
Energy: 1.456624282702332
Energy: 1.3227127455087562
Energy: 1.3179019180557705
Energy: 1.3221476102897174
Energy: 1.6438940780460187
Energy: 1.3406471215409275
Energy: 1.3298824625666972
Energy: 1.3218642309961963
Energy: 1.4121576108205218
Energy: 1.3215456791034028
Energy: 1.3298484495640412
Energy: 1.2582353112121758
Energy: 1.3298910238942152
Energy: 1.3532112053098375
Energy: 1.6664124997992964
Energy: 1.3531961129268446
Energy: 1.3298723073950494
Energy: 1.2536515958894614
Energy: 1.3377186823436154
Energy: 1.351597121902547
Energy: 1.4121426485338462
Energy: 1.4944819148404382
Energy: 1.3375655002573228
Energy: 1.2699162321427282
Energy: 1.453487567116007
Energy: 1.3182012683340187
Energy: 1.3177579214330746
Energy: 1.4465615106748297
Energy: 1.453085388174447
Energy: 1.270478565422303
Energy: 1.4536933736923627
Energy: 1.5097292171761274
Energy: 1.3494116774089822
Energy: 1.4538997363240063
Energy: 1.4534523604464649
Energy: 1.4083650772893592
Energy: 1.5350110964133703
Energy: 1.318158927851721
Energy: 1.3178397792679941
Energy: 1.4915864951932793
Energy: 1.5351126331081524
Energy: 1.1436417743559086
Energy: 1.3227455990909822
Energy: 1.2519702448954664
Energy: 1.2574347874466751
Energy: 1.3219090045603556
Energy: 1.814566641703179
Energy: 1.1450682015592801
Energy: 1.3217362633032306
Energy: 1.3180728437909273
Energy: 1.3176684711447437
Energy: 1.321604948561086
Energy: 1.4365972523384665
Energy: 1.397027901429916
Energy: 1.6436954813543327
Energy: 1.3218111181867045
Energy: 1.3178455888550575
Energy: 1.5310607548830923
Energy: 1.3375438808361768
Energy: 1.3404102610793338
Energy: 1.3298656308866355
Energy: 1.3218564059676625
Energy: 1.614146615638778
Energy: 1.3217912088938362
Energy: 1.3298252905700776
Energy: 1.256720582108578
Energy: 1.3297809830946608
Energy: 1.3218591005686287
Energy: 1.614088962906029
Energy: 1.3217803170503217
Energy: 1.3297381557502994
Energy: 1.2951516355965293
Energy: 1.643911180495723
Energy: 1.5310640614219677
Energy: 1.3866395400897802
Energy: 1.5311059678553536
Energy: 1.2541363761491258
Energy: 1.2704393615632246
Energy: 1.4534790856576836
Energy: 1.4918039071404876
Energy: 1.350167841100727
Energy: 1.4863760274692388
Energy: 1.4533832500256285
Energy: 1.2699936486930095
Energy: 1.453571307550861
Energy: 1.4913043261643926
Energy: 1.3508160573853176
Energy: 1.4464951211255368
Energy: 1.6417829170067961
Energy: 1.4118574974131488
Energy: 1.5309446588407776
Energy: 1.329327506920874
Energy: 1.250449991313307
Energy: 1.3296523145357915
Energy: 1.5352259375234651
Energy: 1.142376698340681
Energy: 1.3222302749539547
Energy: 1.2576321151402419
Energy: 1.2500207465948845
Energy: 1.3219303750391564
Energy: 1.4367650877742757

minimum gb energy = 1.142376698340681 eV
minimum distance =  2.27600060133051 Angstroms
sigma value = 19


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

Energy: 1.8272523960691398
Energy: 1.4605185596158117
Energy: 1.3562865178054462
Energy: 1.290546216509561
Energy: 1.4060190583985326
Energy: 1.4605713443390993
Energy: 1.3683132875118504
Energy: 1.653302063692245
Energy: 1.3360299090884962
Energy: 1.3348952523829685
Energy: 1.3364815212022632
Energy: 1.4873921024343757
Energy: 1.4589358975783753
Energy: 1.4871012089194597
Energy: 1.5493401553863466
Energy: 1.4363252167996314
Energy: 1.4871175268769956
Energy: 1.5160408013556745
Energy: 1.4028121182992386
Energy: 1.4612042963250302
Energy: 1.4870879261811696
Energy: 1.4063035242553439
Energy: 1.4872453734282833
Energy: 1.459639258868686
Energy: 1.4347741917403474
Energy: 1.4703205208659131
Energy: 1.5274533467028988
Energy: 1.3675383189806278
Energy: 1.6436822378988138
Energy: 1.489394968103243
Energy: 1.4028533277559825
Energy: 1.491222403185294
Energy: 1.3465076108600997
Energy: 1.2846904826403533
Energy: 1.487227332591823
Energy: 1.4795224516027985
Energy: 1.402319191061695
Energy: 1.5260210405206125
Energy: 1.674768521326927
Energy: 1.8666484109036703
Energy: 1.5081068363469152
Energy: 1.5468693579446695
Energy: 1.4599149240643923
Energy: 1.519530295476679
Energy: 1.3454161542033671
Energy: 1.3253132748057226
Energy: 1.487102118555569
Energy: 1.5098321062466522
Energy: 1.2771522121162788
Energy: 1.3358130117762115
Energy: 1.3355333821521502
Energy: 1.328820502079647
Energy: 1.3358530689498855
Energy: 1.4956590468122073
Energy: 1.3983995923795713
Energy: 1.335823771149611
Energy: 1.344965415890391
Energy: 1.26721178179658
Energy: 1.3445430514355015
Energy: 1.5479125866376666
Energy: 1.3506755937211326
Energy: 1.4955544492527597
Energy: 1.3382725731401162
Energy: 1.265446280489991
Energy: 1.3449327582602568
Energy: 1.572692085523803
Energy: 1.4141868033641862
Energy: 1.554874857101198
Energy: 1.6072699641473454
Energy: 1.3498337055669951
Energy: 1.5279187179968594
Energy: 1.5396472530444474
Energy: 1.4741930235398455
Energy: 1.5742250198706134
Energy: 1.612804701956299
Energy: 1.4867683685278479
Energy: 1.527358140010341
Energy: 1.6202300772117717
Energy: 1.3470738860055111
Energy: 1.550794128569061
Energy: 1.5735173827616653
Energy: 1.4134804071757143
Energy: 1.4869760368294436
Energy: 1.5025514187107292
Energy: 1.2656051629411693
Energy: 1.3360441275555286
Energy: 1.4872441710907167
Energy: 1.4371409882690123
Energy: 1.335751317768842
Energy: 1.2647404721834266
Energy: 1.3240151483070208
Energy: 1.3285441191152003
Energy: 1.4285567542299247
Energy: 1.2079253268666856
Energy: 1.3358076521226685
Energy: 1.3289099884895321
Energy: 1.3289652252828958
Energy: 1.4121172051121647
Energy: 1.4873592949689722
Energy: 1.4657104094644304
Energy: 1.487074892445519
Energy: 1.3465720560592314
Energy: 1.43626626726687
Energy: 1.4872594470555525
Energy: 1.5277834303788322
Energy: 1.5290784326921798
Energy: 1.4871628661364733
Energy: 1.487160596871596
Energy: 1.4361259302911777
Energy: 1.4870646025393814
Energy: 1.4619241426310627
Energy: 1.3998282860445481
Energy: 1.4870509731431032
Energy: 1.54943192265551
Energy: 1.3724606697861836
Energy: 1.5275115978358729
Energy: 1.4066121838759773
Energy: 1.4461979023166769
Energy: 1.4690792958003216
Energy: 1.5378767734854686
Energy: 1.3435374952502182
Energy: 1.5492668229160091
Energy: 1.4871337050930638
Energy: 1.3996835367244422
Energy: 1.4783174470066294
Energy: 1.5999493127061304
Energy: 1.3407838100465814
Energy: 1.4873248165519741
Energy: 1.5388506551614316
Energy: 1.46479854349423
Energy: 1.507920720690224
Energy: 1.6504180819967291
Energy: 1.3286142024449585
Energy: 1.346834265863042
Energy: 1.500302470420201
Energy: 1.460428844917778
Energy: 1.5494714112743813
Energy: 1.3477306985183963
Energy: 1.324321004117848
Energy: 1.3445632846345505
Energy: 1.5477975706352536
Energy: 1.226844544721756
Energy: 1.3357599092829324
Energy: 1.3291856764626908
Energy: 1.2662079047723105
Energy: 1.3357820264156968
Energy: 1.3357763344638771
Energy: 1.4274108827749792
Energy: 1.3357395128104896
Energy: 1.3356832268490484
Energy: 1.3355019244919821
Energy: 1.2641288041924608
Energy: 1.5888394182934418
Energy: 1.3503226300829783
Energy: 1.5675228697071475
Energy: 1.3953146470257687
Energy: 1.4165825729217605
Energy: 1.5491426153396541
Energy: 1.5504132291367294
Energy: 1.48845347854339
Energy: 1.5519359792173821
Energy: 1.606697897633314
Energy: 1.4145200102346416
Energy: 1.612756912057212
Energy: 1.5507382626492483
Energy: 1.4789405906760453
Energy: 1.543957980951123
Energy: 1.6797170070352525
Energy: 1.423424803599444
Energy: 1.4869837912010497
Energy: 1.3494231129905405
Energy: 1.2643699945802103
Energy: 1.2641582535736204
Energy: 1.5498503855315844
Energy: 1.3380914147916716
Energy: 1.3357094817374109
Energy: 1.2643434381939784
Energy: 1.2649933796285215
Energy: 1.3357986595820448
Energy: 1.4286894275658022

minimum gb energy = 1.2079253268666856 eV
minimum distance =  2.26369943663848 Angstroms
sigma value = 27


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

Energy: 1.5580775341746387
Energy: 1.536190993397253
Energy: 1.423324970165136
Energy: 1.1656201253721978
Energy: 1.4459775906099213
Energy: 1.5631715677502036
Energy: 1.1295519984994398
Energy: 1.578172299085663
Energy: 1.378950674285342
Energy: 1.1595792323824108
Energy: 1.3731980369700598
Energy: 1.374335292511138
Energy: 1.1588447677856772
Energy: 1.3733283179720592
Energy: 1.3845202047691565
Energy: 1.1559605458543163
Energy: 1.3734386440035076
Energy: 1.3789739611717768
Energy: 1.2080491336888937
Energy: 1.3735419154783568
Energy: 1.3738978506495658
Energy: 1.46111715324629
Energy: 1.3738481099071118
Energy: 1.3839777715318304
Energy: 1.15333553959012
Energy: 1.3860930694291236
Energy: 1.5252081441539171
Energy: 1.1614173443568099
Energy: 1.5914238025441714
Energy: 1.399106247781722
Energy: 1.3409107723039544
Energy: 1.3977616077335426
Energy: 1.5781806369723728
Energy: 1.3871455815281568
Energy: 1.5910964531389122
Energy: 1.3962353746504306
Energy: 1.208203770961891
Energy: 1.4234813077600081
Energy: 1.6426407490793657
Energy: 1.5630290493875507
Energy: 1.4209682804419934
Energy: 1.4230311097661352
Energy: 1.1451073195854207
Energy: 1.3780389166883256
Energy: 1.5784146072997025
Energy: 1.1656537306888761
Energy: 1.5910015815098926
Energy: 1.1652839761319487
Energy: 1.1449378272650237
Energy: 1.384152251385095
Energy: 1.3734281510772768
Energy: 1.1662074670003932
Energy: 1.3733669366720915
Energy: 1.4513294205917702
Energy: 1.1530440262251573
Energy: 1.3736709047524547
Energy: 1.3735821205818293
Energy: 1.3959834257280246
Energy: 1.3735892201911921
Energy: 1.3841573897351724
Energy: 1.1650192384882545
Energy: 1.5094225117168412
Energy: 1.3861795479457102
Energy: 1.1609912207183704
Energy: 1.3740576958527542
Energy: 1.377656874624219
Energy: 1.1539501912021657
Energy: 1.5781844551475608
Energy: 1.3956908769187037
Energy: 1.37012549463043
Energy: 1.3732044955275948
Energy: 1.578099082392629

minimum gb energy = 1.1295519984994398 eV
minimum distance =  2.2674785177513 Angstroms
sigma value = 9


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

Energy: 2.116764024941979
Energy: 1.4395918636175813
Energy: 1.2829955672578017
Energy: 1.2698831270478481
Energy: 1.397958757059081
Energy: 1.5307722934951966
Energy: 1.3160980104181546
Energy: 1.4969611369879492
Energy: 1.3084919618993647
Energy: 1.3013017954636192
Energy: 1.3074521993066908
Energy: 1.374018397776534
Energy: 1.3639167319108483
Energy: 1.629457421594597
Energy: 1.6550724027777355
Energy: 1.3015424920744705
Energy: 1.6531643821946433
Energy: 1.4276085441635942
Energy: 1.490798216297029
Energy: 1.6558336878430526
Energy: 1.661655882041906
Energy: 1.3028891328403829
Energy: 1.6464536937435814
Energy: 1.4621551696343358
Energy: 1.2931168570227238
Energy: 1.650984097840021
Energy: 1.604955317192713
Energy: 1.3669600915464242
Energy: 1.6481540041279918
Energy: 1.4617590788176251
Energy: 1.2971438398513364
Energy: 1.3090924169990945
Energy: 1.6498396003257352
Energy: 1.3669540052309073
Energy: 1.3074163680397228
Energy: 1.3198905623123458
Energy: 1.2847990974364816
Energy: 1.3947546898896843
Energy: 1.4813211130997104
Energy: 1.9597809669273232
Energy: 1.398113701233908
Energy: 1.2156606573920963
Energy: 1.2130952959765837
Energy: 1.3085714348146715
Energy: 1.661848025028237
Energy: 1.367073980942862
Energy: 1.3076185850853632
Energy: 1.214156328808471
Energy: 1.2150942735236996
Energy: 1.563727106492198
Energy: 1.7053308503874163
Energy: 1.367120308648111
Energy: 1.5912536323387805
Energy: 1.3216441300789694
Energy: 1.42230710880706
Energy: 1.5787840285393715
Energy: 1.6516369231204906
Energy: 1.412986256717402
Energy: 1.6093527224493742
Energy: 1.3217387337165827
Energy: 1.3180867903938136
Energy: 1.5645738845149346
Energy: 1.6559162318590972
Energy: 1.414088054597346
Energy: 1.60548480995738
Energy: 1.25516660574439
Energy: 1.318486978233636
Energy: 1.512176339654658
Energy: 1.5009327104945716
Energy: 1.3667542052199715
Energy: 1.478578012106098
Energy: 1.3182011613890012
Energy: 1.3611999418965102
Energy: 1.480505039236824
Energy: 1.4534576330193705
Energy: 1.3087908257185246
Energy: 1.5037394999048537
Energy: 1.654668120086537
Energy: 1.3188242485919464
Energy: 1.5118621264449497
Energy: 1.3914447352117172
Energy: 1.2931072898597955
Energy: 1.479364135128609
Energy: 1.456333318008483
Energy: 1.3183277914856149
Energy: 1.75138723946119
Energy: 1.340288806993403
Energy: 1.3081160904534006
Energy: 1.4688301834285526
Energy: 1.465913194959037
Energy: 1.811227525957474
Energy: 1.512895377730549
Energy: 1.3403215920330787
Energy: 1.293678274290492
Energy: 1.472345844050093
Energy: 1.596153694317755
Energy: 1.316666160680491
Energy: 1.5119394374578545
Energy: 1.391042066730865
Energy: 1.365633339899838
Energy: 1.4834399746818279
Energy: 1.6108822543206665
Energy: 1.316712728030162
Energy: 1.5088306384145895
Energy: 1.5128052623488781
Energy: 1.366822699262839
Energy: 1.6616237656742663
Energy: 1.3180946614633984
Energy: 1.3039103012103352
Energy: 1.5879493959370432
Energy: 1.6430690396482015
Energy: 1.649637217059079
Energy: 1.5842457968349735
Energy: 1.3219749937713523
Energy: 1.4204961797151137
Energy: 1.5708809638851204
Energy: 1.654018045827957
Energy: 1.367503195008442
Energy: 1.6432099054168594
Energy: 1.4784887953018198
Energy: 1.2144639210627561
Energy: 1.2143236755099687
Energy: 1.707828867243412
Energy: 1.3666440283547914
Energy: 1.6461233861295343
Energy: 1.2144273488701725
Energy: 1.214382507311858
Energy: 1.2139177980967306
Energy: 1.4185718846643258
Energy: 1.3152836105489727
Energy: 1.307684218176932
Energy: 1.2144168155657216
Energy: 1.2972600233084572
Energy: 1.3084571330446981
Energy: 1.307658762397215
Energy: 1.3140828977194425
Energy: 1.3076992350699528
Energy: 1.318697087202237
Energy: 1.2991126762497223
Energy: 1.462194377790589
Energy: 1.4984694534509275
Energy: 1.3666753129593854
Energy: 1.6608662804051428
Energy: 1.3085735943541794
Energy: 1.6574045908589854
Energy: 1.6474990179796518
Energy: 1.4614915827895545
Energy: 1.301862531789638
Energy: 1.6651448355391736
Energy: 1.600200949574715
Energy: 1.2998241766933927
Energy: 1.6649123248669506
Energy: 1.6264185012100834
Energy: 1.3649880597414943
Energy: 1.6374125418381535
Energy: 1.4621703063426585
Energy: 1.3629219125606191
Energy: 1.626801101339325
Energy: 1.3092476618332751
Energy: 1.3035997806287123
Energy: 1.308360691179224
Energy: 1.4458091097758228
Energy: 1.358722033056597
Energy: 1.3077268318020392
Energy: 1.3192247415866112
Energy: 1.3120834076759187
Energy: 1.3091082237966556
Energy: 1.5106513365914986
Energy: 1.3155391151826878
Energy: 1.3083197492371186
Energy: 1.3083336656153157
Energy: 1.211211573008861
Energy: 1.3076385754750015
Energy: 1.5106331746850374
Energy: 1.3636469619496812
Energy: 1.6125276347463031
Energy: 1.2146489967136116
Energy: 1.2153714317421642
Energy: 1.2146576893618428
Energy: 1.4455557118897369
Energy: 1.4083119166946332
Energy: 1.655908055415432
Energy: 1.5494257531436046
Energy: 1.4166701478460224
Energy: 1.5755460729317694
Energy: 1.6557807464279763
Energy: 1.4071827986662986
Energy: 1.6083152632936573
Energy: 1.3541084970868738
Energy: 1.2934646246008807
Energy: 1.5992745221811142
Energy: 1.6898065283668549
Energy: 1.3641037983550042
Energy: 1.479738746996596
Energy: 1.318405850107361
Energy: 1.3185250746359898
Energy: 1.6234282535558104
Energy: 1.3747272274126918
Energy: 1.410227448740818
Energy: 1.4761644360158839
Energy: 1.4788901187532448
Energy: 1.3642461086963367
Energy: 1.4788854766969417
Energy: 1.4686674740738366
Energy: 1.2930094598136999
Energy: 1.4838019462371876
Energy: 1.5117564470926328
Energy: 1.3642509230071889
Energy: 1.4783282536700828
Energy: 1.3737819237267492
Energy: 1.3096205318369865
Energy: 1.2741976982364427
Energy: 1.6845494023735603
Energy: 1.317966929405573
Energy: 1.5468495243207905
Energy: 1.2703761574830057
Energy: 1.2943115247297854
Energy: 1.4592252523464595
Energy: 1.512029627956047
Energy: 1.31688964625431
Energy: 1.5120034064966354
Energy: 1.2939731930922036
Energy: 1.4122187188029474
Energy: 1.3753102156380468
Energy: 1.5963576500060228
Energy: 1.4113649766498324
Energy: 1.47816654874678
Energy: 1.4689824555213475
Energy: 1.3638283091518149
Energy: 1.4814811879103773
Energy: 1.5087329008060704
Energy: 1.3184862503132564
Energy: 1.6388980319918975
Energy: 1.3740222032324672
Energy: 1.6498421514517512
Energy: 1.6428975804750574
Energy: 1.5668086742255207
Energy: 1.295331306914883
Energy: 1.590442698385881
Energy: 1.656444595592271
Energy: 1.3568467024600244
Energy: 1.639084588646867
Energy: 1.557981774212458
Energy: 1.4167800323403974
Energy: 1.5749427777023213
Energy: 1.655782867722353
Energy: 1.3642191009916391
Energy: 1.6888997997829722
Energy: 1.3200107152854472
Energy: 1.2131671506442607
Energy: 1.5372507881758328
Energy: 1.3741778782496499
Energy: 1.3142017746204697
Energy: 1.3083241587080088
Energy: 1.2145392465296097
Energy: 1.212346380027535
Energy: 1.3079964550384902
Energy: 1.6788471984852902

minimum gb energy = 1.211211573008861 eV
minimum distance =  2.25809973643234 Angstroms
sigma value = 57


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

Energy: 1.9947933462509864
Energy: 1.1054946910249193
Energy: 1.1711424546838676
Energy: 1.170569682777695
Energy: 1.1710558646299258
Energy: 1.6713263960037428
Energy: 1.600219816853832
Energy: 1.5717342721906027
Energy: 1.0766091758001033
Energy: 1.076894003345821
Energy: 1.076548480396076
Energy: 1.616999814079743
Energy: 1.0787687216187993
Energy: 1.3804131999119413
Energy: 1.3899694113945424
Energy: 1.0791304560590793
Energy: 1.5940027537736265
Energy: 1.3479660300107867
Energy: 1.2562148499891828
Energy: 1.380506335256745
Energy: 1.602545689695999
Energy: 1.0776477166251
Energy: 1.5939639916611357
Energy: 1.0745645037692357
Energy: 1.2614779427960965
Energy: 1.3802588816123151
Energy: 1.5927352131293238
Energy: 1.078771745976021
Energy: 1.598692353470427
Energy: 1.348101394180032
Energy: 1.0756695271443872
Energy: 1.347306010562947
Energy: 1.6328476968459598
Energy: 1.076426003096769
Energy: 1.4183615436842059
Energy: 1.346817096372475
Energy: 1.1715008541953162
Energy: 1.4249406953164314
Energy: 1.3528998323870587
Energy: 1.6111185244405875
Energy: 1.3526234061333549
Energy: 1.1710362986477147
Energy: 1.1682035386821406
Energy: 1.3475924430482888
Energy: 1.5793681883506518
Energy: 1.0766935006286433
Energy: 1.3477046767542336
Energy: 1.3472854274323511
Energy: 1.1830184273503932
Energy: 1.109023862118547
Energy: 1.6630569388835748
Energy: 1.0777552450512398
Energy: 1.601014022142019
Energy: 1.1090000253954815
Energy: 1.1808377015328413
Energy: 1.1092873210552285
Energy: 1.6115230729513361
Energy: 1.0743457509170011
Energy: 1.3474098630356999
Energy: 1.1088895749225465
Energy: 1.0767664929886638
Energy: 1.076576203810221
Energy: 1.348026156872683
Energy: 1.0745127563757257
Energy: 1.3479648240062139
Energy: 1.0765286035256987
Energy: 1.3426003185939108
Energy: 1.3807853669734536
Energy: 1.3475739205613675
Energy: 1.0785005782944317
Energy: 1.6244788474592093
Energy: 1.0765802384077399
Energy: 1.0805230957983458
Energy: 1.5814719857758865
Energy: 1.3798779841578492
Energy: 1.0764189215618967
Energy: 1.3799975044916777
Energy: 1.5813205056617925
Energy: 1.3424612294365466
Energy: 1.5929650368326973
Energy: 1.380173819618494
Energy: 1.2429974269528048
Energy: 1.5846668427793675
Energy: 1.390340787425976
Energy: 1.078202531058901
Energy: 1.599348114648066
Energy: 1.347833377768551
Energy: 1.0774504177600837
Energy: 1.4180850123263207
Energy: 1.3478731463906035
Energy: 1.6064948214247043
Energy: 1.3479103328454467
Energy: 1.3520152177139368
Energy: 1.0762679249327405
Energy: 1.3518075574918862
Energy: 1.3822025168333214
Energy: 1.3369314076362824
Energy: 1.3476878671542045
Energy: 1.3477478340431002
Energy: 1.171370034329189
Energy: 1.3475023511468114
Energy: 1.3475191412423082
Energy: 1.3429600836004016
Energy: 1.6158651018138122
Energy: 1.1093234635244449
Energy: 1.108166009153463
Energy: 1.3518979809452487
Energy: 1.3481291152817454
Energy: 1.6010899386968698
Energy: 1.3488520089055054
Energy: 1.16159200852813
Energy: 1.162957530186803
Energy: 1.34760683956685
Energy: 1.5981831582215345

minimum gb energy = 1.0743457509170011 eV
minimum distance =  2.23944536573577 Angstroms
sigma value = 11


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

Energy: 1.7711843735619197
Energy: 1.0316224802512048
Energy: 1.0938450566622717
Energy: 1.0930282990766391
Energy: 1.0389184593472283
Energy: 1.0352298330291334
Energy: 1.8077190735716355
Energy: 1.2377943663242899
Energy: 1.2622793068685503
Energy: 1.2182353992554138
Energy: 1.2863825512408498
Energy: 1.377903290770656
Energy: 1.492015321244742
Energy: 1.4973493994244695
Energy: 1.2949289636141876
Energy: 1.2187780446249967
Energy: 1.4134317221847845
Energy: 1.5182399000517328
Energy: 1.4899082993172033
Energy: 1.4186069456316701
Energy: 1.2837191075813252
Energy: 1.218529846031337
Energy: 1.408008035703516
Energy: 1.5059366249114663
Energy: 1.4901236790894354
Energy: 1.498038309014138
Energy: 1.339964867776158
Energy: 1.269692908634029
Energy: 1.42122082389577
Energy: 1.5155322693570714
Energy: 1.490545475306312
Energy: 1.5088479586339674
Energy: 1.497873361392141
Energy: 1.0687061209886535
Energy: 1.4809537995417696
Energy: 1.5085222842337227
Energy: 1.2157186648685951
Energy: 1.173632883028645
Energy: 1.1682458279520394
Energy: 1.2961856218759162
Energy: 1.2688168416835297
Energy: 1.167413733139258
Energy: 1.225339826679155
Energy: 1.458558144806709
Energy: 1.484605399660978
Energy: 1.0676231902067876
Energy: 1.457191867200532
Energy: 1.2567502860242568
Energy: 1.2154867578851822
Energy: 1.1673053686793398
Energy: 1.4980788708314268
Energy: 1.4337754761257357
Energy: 1.1678825655089207
Energy: 1.1699778046328737
Energy: 1.2439417285409111
Energy: 1.186988213200691
Energy: 1.1622055265248543
Energy: 1.5178018203039778
Energy: 1.163208307991026
Energy: 1.1935286115305035
Energy: 1.1605372037227593
Energy: 1.148688340040568
Energy: 1.1637392276453997
Energy: 1.4936681784735673
Energy: 1.1624572125295503
Energy: 1.1485045900801023
Energy: 1.1606229102416596
Energy: 1.150042349610666
Energy: 1.4725365177554588
Energy: 1.4769956383493508
Energy: 1.4446171511534434
Energy: 1.150092069493517
Energy: 1.1715558833901285
Energy: 1.1245464327005132
Energy: 1.4368593032046777
Energy: 1.4785385005424527
Energy: 1.4202571110753452
Energy: 1.1734978864127426
Energy: 1.1439786715677027
Energy: 1.1200344300651857
Energy: 0.9902564972817175
Energy: 1.3858377239361312
Energy: 0.9919424685610271
Energy: 1.1119096476678207
Energy: 1.3202820050582331
Energy: 1.4284950659488886
Energy: 1.4779839723603778
Energy: 1.476269319781885
Energy: 1.472413339797062
Energy: 1.3696927405110941
Energy: 1.3797644687785413
Energy: 1.4065421180198214
Energy: 1.5243561683830764
Energy: 1.395495724832523
Energy: 1.426979479429064
Energy: 1.4102304845940081
Energy: 1.3230609461026461
Energy: 1.4032048820154672
Energy: 1.4325064458518568
Energy: 1.398032571425008
Energy: 1.4224376202131912
Energy: 1.4028016527742555
Energy: 1.4155863879504536
Energy: 1.4194992017270411
Energy: 1.4172205458647158
Energy: 1.492088982274875
Energy: 1.4211322039501937
Energy: 1.4226347554348184
Energy: 1.617208708213313
Energy: 1.4124693932963204
Energy: 1.4923561819138025
Energy: 1.4977010323662485
Energy: 1.497864581637522
Energy: 1.4005501921471262
Energy: 1.2959321299486257
Energy: 1.2460151468320386
Energy: 1.2656885032029643
Energy: 1.2087827642872107
Energy: 1.2806205674072073
Energy: 1.41251492102133
Energy: 1.415445445555426
Energy: 1.39765643611926
Energy: 1.269117658118984
Energy: 1.229116139493062
Energy: 1.457178710860074
Energy: 1.3914450994825378
Energy: 1.490745541726791
Energy: 1.2841251632276791
Energy: 1.2357611851838763
Energy: 1.0670623486128161
Energy: 1.2401131397073817
Energy: 1.5111251663789758
Energy: 1.6903720718650128
Energy: 1.03410251092495
Energy: 1.044013657584524
Energy: 1.0668776284552
Energy: 1.1671950473168546
Energy: 1.145177430884076
Energy: 1.6907207067303955
Energy: 1.229038397372274
Energy: 1.1447816893228735
Energy: 1.0596202523040563
Energy: 1.1449040987791255
Energy: 1.256923678729844
Energy: 1.4909867501456104
Energy: 1.4671380051130873
Energy: 1.0326782090613789
Energy: 1.0324604105386006
Energy: 1.0328124673536543
Energy: 1.5148231817012785
Energy: 1.7147252086476288
Energy: 1.2403699848908005
Energy: 1.0328399627126943
Energy: 1.063648321646931
Energy: 1.2394001354969804
Energy: 1.332376113692222

minimum gb energy = 0.9902564972817175 eV
minimum distance =  2.21201740828214 Angstroms
sigma value = 41


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

Energy: 1.7220038431217695
Energy: 0.9268112774086714
Energy: 0.9491336266833313
Energy: 0.9491799950170936
Energy: 0.9472678259938897
Energy: 1.3932161085568637
Energy: 1.559783682126505
Energy: 1.1394813876534964
Energy: 1.119074154498094
Energy: 1.0816585114110069
Energy: 1.140755719864888
Energy: 1.3720750708322378
Energy: 1.5679649931061166
Energy: 1.3591487799452677
Energy: 1.1511965079875275
Energy: 1.1202576844640553
Energy: 1.3126294559960174
Energy: 1.3778080951886387
Energy: 1.560561458717234
Energy: 1.3213151723499723
Energy: 1.1534405100719618
Energy: 1.081982318596326
Energy: 1.1534201881720254
Energy: 1.375247676257565
Energy: 1.5599327325712982
Energy: 1.3365581789062666
Energy: 1.3019627586586187
Energy: 1.3131712824255937
Energy: 1.1711337381619524
Energy: 1.3709417823634573
Energy: 1.6007122277758763
Energy: 1.366014965615782
Energy: 1.3606695059823322
Energy: 1.3130775547175437
Energy: 1.358061360760968
Energy: 1.3565479426054503
Energy: 1.4256358871486183
Energy: 1.3677005586185162
Energy: 1.364315661476544
Energy: 1.357003669073094
Energy: 1.3837912325044301
Energy: 1.364469753400121
Energy: 1.3882389228321756
Energy: 1.364314868522867
Energy: 1.3668320116041766
Energy: 1.338749166190706
Energy: 1.371741741777845
Energy: 1.3383144775895612
Energy: 1.4258243136568665
Energy: 1.3641831283431218
Energy: 1.3564746346918874
Energy: 1.3741469141960259
Energy: 1.3515672375067196
Energy: 1.3381246509536107
Energy: 1.238563721027795
Energy: 1.3338888001462939
Energy: 1.1712293370262539
Energy: 1.3349990835859267
Energy: 1.170932889487663
Energy: 1.303878515450377
Energy: 1.0798244627279994
Energy: 1.1533838523899456
Energy: 1.321619408415057
Energy: 1.3330799369250275
Energy: 1.3211680806907742
Energy: 1.1535672091111806
Energy: 1.0802345272182667
Energy: 1.1535320724883102
Energy: 1.3590085405099854
Energy: 1.3625644333509266
Energy: 1.3215907630318593
Energy: 1.1400991108952738
Energy: 1.0779963877205023
Energy: 1.119689125510705
Energy: 1.145408952080028
Energy: 1.36563939417603
Energy: 1.1452804942767718
Energy: 1.0815091870078501
Energy: 0.9471655026748227
Energy: 0.9454585212246905
Energy: 1.167550529757974
Energy: 1.3656584929804003
Energy: 0.9468717876658205
Energy: 0.9527640783309396
Energy: 0.9554291503760673
Energy: 1.109673636592847
Energy: 1.3375482323914323
Energy: 1.3564681096051026
Energy: 1.1097913519255231
Energy: 0.9470977172791466
Energy: 0.9560613904622722
Energy: 0.9462866045988408
Energy: 1.3206475431317404
Energy: 1.4029038353387389
Energy: 0.9461069374657657
Energy: 0.9465769647823724
Energy: 0.9465403411048369
Energy: 0.948670002056924
Energy: 0.914996390987788
Energy: 1.3770629914781005
Energy: 0.9465604860369659
Energy: 0.9461924169998701
Energy: 1.077953346369648
Energy: 1.1203393229112233
Energy: 1.1452450521069533
Energy: 1.3518093207887143
Energy: 1.1059239364734323
Energy: 1.1199045775102654
Energy: 1.0807830890286414
Energy: 1.153447336141328
Energy: 1.3777501759328161
Energy: 1.3820023994990571
Energy: 1.338601056124834
Energy: 1.1399480011134655
Energy: 1.079134569394426
Energy: 1.3090580764914534
Energy: 1.3384774277915101
Energy: 1.3676734944178315
Energy: 1.3364773852147884
Energy: 1.1535081712455615
Energy: 1.2385873266665064
Energy: 1.3034014900437128
Energy: 1.3755904641444892
Energy: 1.370732959606732
Energy: 1.1709733560469435
Energy: 1.3041009941772743
Energy: 1.396616888289352
Energy: 1.3577688990897916
Energy: 1.3654374083422331
Energy: 1.3557672454897598
Energy: 1.3532548441275611
Energy: 1.3607621941574275
Energy: 1.3965728737299228
Energy: 1.3642996131142568
Energy: 1.3677889524033975
Energy: 1.3128832329935483
Energy: 1.3713436542021131
Energy: 1.3642545216379018
Energy: 1.3966220704971388
Energy: 1.3671766585222027
Energy: 1.3643663504168022
Energy: 1.2322175383971385
Energy: 1.3573030121612695
Energy: 1.3600820978416284
Energy: 1.5913287493654293
Energy: 1.356483813622114
Energy: 1.3561193076952107
Energy: 1.3130017540048422
Energy: 1.3684223192481697
Energy: 1.3564281430837983
Energy: 1.3935928679400194
Energy: 1.3211093545151964
Energy: 1.3384904126608137
Energy: 1.3131350252156249
Energy: 1.3383186531244298
Energy: 1.3406423093398678
Energy: 1.3929794078441766
Energy: 1.3213742810930083
Energy: 1.1535660322933197
Energy: 1.0818176026178876
Energy: 1.1710616849636577
Energy: 1.3215752281358975
Energy: 1.592334117279547
Energy: 1.3351928243292106
Energy: 1.1535180793905235
Energy: 1.0819342089392276
Energy: 1.1536417970205615
Energy: 1.3577518392148376
Energy: 1.568204974482122
Energy: 1.1454170456931527
Energy: 1.1187807509664525
Energy: 1.0816056187966998
Energy: 1.1392147118882636
Energy: 1.3422543550832184
Energy: 1.721460786586579
Energy: 0.9466464080249529
Energy: 0.9197054448453793
Energy: 0.9197500992387104
Energy: 0.9493853852913376
Energy: 1.1667298409105744
Energy: 1.568293411696876
Energy: 1.1087226172658733
Energy: 1.1063108274691624
Energy: 0.951825024799151
Energy: 1.106221128805656
Energy: 1.3376402538941572
Energy: 1.5927241318846066
Energy: 1.3120686468898308
Energy: 0.9463248797928299
Energy: 0.9601668145160276
Energy: 0.9467986580913049
Energy: 1.354925022120753
Energy: 1.5542152171496177
Energy: 1.1057400972623286
Energy: 0.9484053280195709
Energy: 0.9601387895898965
Energy: 0.9463357840718943
Energy: 1.3084896807113164

minimum gb energy = 0.914996390987788 eV
minimum distance =  2.21561404519261 Angstroms
sigma value = 33


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

Energy: 1.5928737369655586
Energy: 0.8076367950727098
Energy: 0.8243288321087717
Energy: 0.8241781214918305
Energy: 0.8221031505575138
Energy: 1.1835867367731692
Energy: 1.7435327538129612
Energy: 0.966126221905241
Energy: 0.9466268956653503
Energy: 0.9258758275177169
Energy: 0.9670007958133158
Energy: 1.1425277079680365
Energy: 1.7661551543894058
Energy: 1.1416170042522253
Energy: 0.9736273475518421
Energy: 0.9237062586433414
Energy: 0.9735878954837673
Energy: 1.141165005366973
Energy: 1.4968043632659886
Energy: 0.9736278802888989
Energy: 0.9734406698012195
Energy: 0.9255706294123474
Energy: 0.9771524938315457
Energy: 1.1680636631304637
Energy: 1.4964349727304391
Energy: 0.9669160310958304
Energy: 1.1356436520188908
Energy: 1.1012178800725658
Energy: 1.1331649774778032
Energy: 1.1575908461788524
Energy: 1.8396643681688656
Energy: 1.1386235154186855
Energy: 1.130848780846707
Energy: 1.1009534948462858
Energy: 1.1320370206071726
Energy: 1.1668476381073072
Energy: 1.6435423344307505
Energy: 1.1659203020230153
Energy: 1.1402864924583853
Energy: 1.1091994812785257
Energy: 1.1546537979824552
Energy: 1.1657166664929983
Energy: 1.2570169271071205
Energy: 1.180633096186102
Energy: 1.1603760482673706
Energy: 1.1005136609902788
Energy: 1.1791391418675412
Energy: 1.1783868764660546
Energy: 1.6859351636918585
Energy: 1.1655804304941866
Energy: 1.1629099153546252
Energy: 1.1706143599528953
Energy: 1.1615706263468033
Energy: 1.1685978943470472
Energy: 1.520287865255339
Energy: 1.1915212325758608
Energy: 1.1703564039327607
Energy: 1.160268847201011
Energy: 1.1717069335753758
Energy: 1.1648186875418576
Energy: 1.258460328133762
Energy: 1.1713132519781952
Energy: 1.1598020151407311
Energy: 1.1679049204970977
Energy: 1.165990301412886
Energy: 1.1707447237117012
Energy: 1.2580385393876568
Energy: 1.1607251007767247
Energy: 1.1679040211926233
Energy: 1.1668081557121976
Energy: 1.1673669424341657
Energy: 1.1602414587165115
Energy: 1.3980026204112364
Energy: 1.1725878454069896
Energy: 1.1665570606412559
Energy: 1.166349034078645
Energy: 1.165516086837468
Energy: 1.164125281207627
Energy: 1.148126809555845
Energy: 1.1356388798395392
Energy: 1.1658866368499592
Energy: 1.162961416220747
Energy: 1.1652421840689868
Energy: 1.1321197435801642
Energy: 1.1337073820708228
Energy: 1.1399458689103605
Energy: 1.1733920537843132
Energy: 1.1648588348726538
Energy: 1.1723859632619125
Energy: 1.1403669558854017
Energy: 1.1467540519493797
Energy: 1.14056404507274
Energy: 1.1383052420944382
Energy: 1.1671470008116398
Energy: 1.1334475377410747
Energy: 1.1085982307306852
Energy: 1.146531581827331
Energy: 1.0779901512702852
Energy: 1.1785074565628064
Energy: 1.1677268189944707
Energy: 0.9925805139645092
Energy: 1.1017561826280997
Energy: 0.9921058380865496
Energy: 0.9766842415110593
Energy: 1.024235391193004
Energy: 1.1638724366279847
Energy: 0.9743212838693908
Energy: 0.9791805854569584
Energy: 0.9238628254247577
Energy: 0.9718387273857801
Energy: 1.1419203220990368
Energy: 1.1427903668233068
Energy: 1.1114360966364945
Energy: 0.9720676259446244
Energy: 0.9249276828408103
Energy: 0.9460375622473606
Energy: 0.971105282659473
Energy: 1.1327708046161669
Energy: 0.9722015320391977
Energy: 0.9462818809357695
Energy: 0.8235871021606096
Energy: 0.8245326165573051
Energy: 0.9757956369257801
Energy: 1.1646092981016427
Energy: 0.8246205022542962
Energy: 0.8244254350775947
Energy: 0.8301471257150396
Energy: 0.822722692177517
Energy: 1.1121980819753536
Energy: 1.143752579824803
Energy: 0.9704577175197545
Energy: 0.8247061880573048
Energy: 0.8299674395705748
Energy: 0.9439725526392644
Energy: 1.1131099453134776
Energy: 1.1431621292200846
Energy: 0.9714637505995107
Energy: 0.8319522899797623
Energy: 0.8251114409031616
Energy: 0.8250239799365586
Energy: 1.1756987838236554
Energy: 1.157031328448966
Energy: 0.8244532526908029
Energy: 0.8239234411475874
Energy: 0.92193436839442
Energy: 0.9511751432050273
Energy: 0.9658614758804351
Energy: 1.1593837672269651
Energy: 0.8259873466801793
Energy: 0.9471997056829059
Energy: 0.9303960368189663
Energy: 0.9752363540195799
Energy: 1.1418595316416842
Energy: 1.1382822734506188
Energy: 1.141397731778874
Energy: 0.9723631084042564
Energy: 0.9919162858612629
Energy: 0.9785241785216945
Energy: 0.9727620708945708
Energy: 1.1654681531393902
Energy: 0.9726843826310829
Energy: 0.9734435693287259
Energy: 1.1456256237956222
Energy: 1.1347278205335714
Energy: 1.174329483764167
Energy: 1.1657367571558102
Energy: 0.97235391074755
Energy: 1.1012205436148186
Energy: 1.147177552425549
Energy: 1.1413183893966934
Energy: 1.138202132233878
Energy: 1.1625498811325938
Energy: 1.1339749840115925
Energy: 1.1095878217287733
Energy: 1.1467633889574143
Energy: 1.1702494142139637
Energy: 1.1643172727909616
Energy: 1.1676765759388616
Energy: 1.1757361996972218
Energy: 1.1402135526662553
Energy: 1.1470866815108707
Energy: 1.140748208342603
Energy: 1.1785259911469932
Energy: 1.2559790458079887
Energy: 1.1806101382024672
Energy: 1.140885238940981
Energy: 1.3793433926404748
Energy: 1.1632294554212363
Energy: 1.1670632090436759
Energy: 1.167031864177146
Energy: 1.1659096182795605
Energy: 1.163601566222622
Energy: 1.3801450859339943
Energy: 1.171092389238438
Energy: 1.1682893905659755
Energy: 1.1655521535472775
Energy: 1.1697205898597758
Energy: 1.1598304154429715
Energy: 1.380439539541357
Energy: 1.1710975925727696
Energy: 1.1704605955589344
Energy: 1.1596458699157934
Energy: 1.170656281377618
Energy: 1.165748021742138
Energy: 1.5202894887735983
Energy: 1.1681760857970998
Energy: 1.1649641647529034
Energy: 1.1596183820747255
Energy: 1.1665024294326154
Energy: 1.168540936755461
Energy: 1.64155981063004
Energy: 1.164520156407067
Energy: 1.1680223945384691
Energy: 1.1682224472252767
Energy: 1.1642985738345026
Energy: 1.1658202100152129
Energy: 1.3774753562158455
Energy: 1.165251512377285
Energy: 1.1404667895394054
Energy: 1.099093122853039
Energy: 1.136794960602881
Energy: 1.1724271225009748
Energy: 1.6621965530330487
Energy: 1.173149666876273
Energy: 1.1531978191896923
Energy: 1.1333723408675436
Energy: 1.1703068994837982
Energy: 1.1667166943120997
Energy: 1.7959792142397564
Energy: 1.1385406498255508
Energy: 1.1116626747894995
Energy: 1.0988709359055167
Energy: 1.1410012363748647
Energy: 1.1382833029298731
Energy: 1.6201835770609854
Energy: 0.9724360172735032
Energy: 1.0780792410281157
Energy: 1.1023522693391934
Energy: 1.0959867744501024
Energy: 1.174432540741717
Energy: 1.6212044699922727
Energy: 0.9720195186455186
Energy: 0.978945340161189
Energy: 0.9234894084779482
Energy: 0.9727254014543721
Energy: 1.1368070044514296
Energy: 1.79486404638751
Energy: 1.1415225011190582
Energy: 0.9730092194384199
Energy: 0.9222926173083607
Energy: 0.9731417059518016
Energy: 1.1386448345886253
Energy: 1.7437690515563369
Energy: 0.9715763982589722
Energy: 0.9466757719027215
Energy: 0.9248498731387883
Energy: 0.9671486629126189
Energy: 0.9712745242643307
Energy: 1.618513182731306
Energy: 0.8250632985765866
Energy: 0.825202659107306
Energy: 0.8250163084295092
Energy: 0.8244477110144182
Energy: 1.179230776084749
Energy: 1.7867322751787844
Energy: 0.9714326127719594
Energy: 0.8259871969707939
Energy: 0.8303075133458035
Energy: 0.82573076969553
Energy: 1.127722578646804
Energy: 1.796502232858257
Energy: 1.1166394999277174
Energy: 0.824242901114661
Energy: 0.8303414899355224
Energy: 0.8240924233469472
Energy: 1.1403570591018681
Energy: 1.7414656802804536
Energy: 0.8242810856895626
Energy: 0.8240924776326445
Energy: 0.8243525140812449
Energy: 0.82414187960875
Energy: 1.1753512986007524

minimum gb energy = 0.8076367950727098 eV
minimum distance =  2.29303407409734 Angstroms
sigma value = 67


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

Energy: 0.26851751641170857
Energy: 0.26884321113097975
Energy: 0.5184074584799829
Energy: 0.5186996052452404
Energy: 0.5181037022583914
Energy: 0.26862589799905695
Energy: 0.2773889250037178
Energy: 0.38804212160379414
Energy: 0.39563100438401494
Energy: 0.3961391662721804
Energy: 0.387733888065442
Energy: 0.39594012652306804
Energy: 1.5389569506447192
Energy: 0.3956824886986495
Energy: 0.3955574400887971
Energy: 0.41065740050218524
Energy: 0.39567013912631666
Energy: 0.39558024199399155
Energy: 0.2776397576854423
Energy: 0.3955409101374711
Energy: 0.3956861085349619
Energy: 0.41072086864930357
Energy: 0.39554768787830935
Energy: 0.27716852233792394
Energy: 0.2772176186276844
Energy: 0.39546916907430324
Energy: 0.3955483935167208
Energy: 0.3957924306452479
Energy: 0.3951561281112417
Energy: 0.2771700831825676
Energy: 1.5389490894675866
Energy: 0.3956076911846201
Energy: 0.3955836805740855
Energy: 0.40991545495288195
Energy: 0.3952678285224713
Energy: 0.395538904167851
Energy: 0.27698555525355745
Energy: 0.39562765780724984
Energy: 0.39562689020822345
Energy: 0.410666721979095
Energy: 0.3958268842382533
Energy: 0.40978847249164324

minimum gb energy = 0.26851751641170857 eV
minimum distance =  2.42195822523057 Angstroms
sigma value = 3


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

Energy: 1.7769447130504712
Energy: 0.9917903990331224
Energy: 0.9728799009876251
Energy: 0.9730371072796298
Energy: 0.9731582594368753
Energy: 1.0514267191630724
Energy: 1.7832997669831787
Energy: 0.809103609442955
Energy: 0.8084165795876631
Energy: 0.8080163784723767
Energy: 0.8088494329965553
Energy: 0.9346346005008738
Energy: 1.689170817727017
Energy: 0.8078200598488605
Energy: 0.8081635268583778
Energy: 0.8078002217959406
Energy: 0.8080492104547449
Energy: 0.9930568106337028
Energy: 1.7944834471478215
Energy: 0.8981054203927054
Energy: 0.8137685498523891
Energy: 0.8137610217411374
Energy: 0.8137502757796675
Energy: 0.9422580323078885
Energy: 1.7953413765129305
Energy: 0.8987124347552644
Energy: 0.8979917763358976
Energy: 0.9050547006426477
Energy: 0.8976544865646796
Energy: 0.9393755327765703
Energy: 1.689113301486961
Energy: 0.9010503841025883
Energy: 0.8077719966970154
Energy: 0.9054816099753796
Energy: 0.8074014380597393
Energy: 0.9922280337285124
Energy: 1.7591262178018792
Energy: 0.9345660915521833
Energy: 0.8973211941537693
Energy: 0.9016989127268502
Energy: 0.8981001612227737
Energy: 0.9346858891045111
Energy: 1.6214905193777185
Energy: 1.0194446967129873
Energy: 1.0193534172044383
Energy: 0.9252994549013344
Energy: 1.0195856180637923
Energy: 1.0611225344657447
Energy: 1.7487929187991604
Energy: 0.9341019227981058
Energy: 0.9341257668728224
Energy: 1.0505348788222475
Energy: 0.9340776478802567
Energy: 0.9344267529072432
Energy: 1.8492200850325506
Energy: 1.0397648622998275
Energy: 1.018091977794078
Energy: 1.030739505372772
Energy: 1.0180590776792646
Energy: 1.064892230361548
Energy: 1.5672309295286846
Energy: 1.061158701302556
Energy: 1.0733187814987843
Energy: 1.0319998971052997
Energy: 1.0610059026416547
Energy: 1.061591341796812
Energy: 1.5669776726757552
Energy: 1.0593756755929913
Energy: 1.0601887227688414
Energy: 1.1637593447045615
Energy: 1.061005865413415
Energy: 1.0602227624579406
Energy: 1.5705236632768167
Energy: 1.059577717966345
Energy: 1.0624899899605715
Energy: 1.2260520406979423
Energy: 1.0621629155397825
Energy: 1.075836033638878
Energy: 1.6529005852025163
Energy: 1.0727845441305106
Energy: 1.0610509753200228
Energy: 1.0619814936142633
Energy: 1.1001833503136802
Energy: 1.0721392370791782
Energy: 1.3393649195377102
Energy: 1.0733613840122298
Energy: 1.0736417800040725
Energy: 1.0955878422899124
Energy: 1.0735181235430493
Energy: 1.0733020820885357
Energy: 1.3406307103514399
Energy: 1.0826568850516134
Energy: 1.0741672068138501
Energy: 1.069729186235079
Energy: 1.0732075399657701
Energy: 1.0739058864494817
Energy: 1.3400180699110973
Energy: 1.1004786831105846
Energy: 1.0718067655439467
Energy: 1.0720507202396878
Energy: 1.0744908197919374
Energy: 1.0611046598225229
Energy: 1.340701703665454
Energy: 1.063411570595117
Energy: 1.0597698995265055
Energy: 1.0740886713258393
Energy: 1.0602502076604439
Energy: 1.0599191144010938
Energy: 1.3401936396558214
Energy: 1.0607016601489503
Energy: 1.0596338632665803
Energy: 1.0700507314383305
Energy: 1.0602599225205478
Energy: 1.0593695761323587
Energy: 1.1137115472521244
Energy: 1.0602635011118111
Energy: 1.06156629606953
Energy: 1.0698966331192907
Energy: 1.0611167673011281
Energy: 1.0193626721851041
Energy: 1.113050089929729
Energy: 1.018129007374459
Energy: 1.0657782010054706
Energy: 1.1010598020080042
Energy: 1.0572399792582332
Energy: 1.017775367845327
Energy: 1.1135724400847913
Energy: 0.9342732668405319
Energy: 0.9340390932547545
Energy: 1.1010405070613087
Energy: 0.934155489148728
Energy: 0.9346979507347324
Energy: 0.9477707212216345
Energy: 0.9435378915142993
Energy: 1.048167560449831
Energy: 1.077700557048913
Energy: 1.0196335423314609
Energy: 0.942826988361339
Energy: 0.901897283327327
Energy: 0.897359162774759
Energy: 0.9340531902511767
Energy: 1.1023584997368292
Energy: 0.934627064009977
Energy: 0.8973685511273379
Energy: 0.9242527671387892
Energy: 0.8078212441267478
Energy: 1.0057248941585413
Energy: 1.06111000149506
Energy: 0.8078678015146488
Energy: 0.8077270020885003
Energy: 0.9223978086202884
Energy: 0.8974194814487105
Energy: 0.9897094707717343
Energy: 1.0448031577463575
Energy: 0.897975958148806
Energy: 0.8975480144522974
Energy: 0.8145508674731954
Energy: 0.8138686995443646
Energy: 0.9891619321394027
Energy: 1.0452465667364292
Energy: 0.8991475611524659
Energy: 0.8140143528448975
Energy: 0.809881548625659
Energy: 0.8074135872227434
Energy: 0.922811653954133
Energy: 1.0797346736329827
Energy: 0.8080612745584316
Energy: 0.8083216732857067
Energy: 0.8079952822982758
Energy: 0.8082296858539642
Energy: 0.8097822263885682
Energy: 1.10128552855084
Energy: 0.8084204346490551
Energy: 0.8080707410934799
Energy: 0.9403701602694905
Energy: 0.8975468056818532
Energy: 1.0192120409408831
Energy: 1.0587077796606543
Energy: 0.897298626108661
Energy: 0.8976251739507259
Energy: 0.9041055514570379
Energy: 0.8088197509604712
Energy: 0.8977263806033985
Energy: 1.060655068883898
Energy: 0.808811109907424
Energy: 0.8078710675795305
Energy: 0.9016531687740797
Energy: 0.8971015475168468
Energy: 0.9361328243334858
Energy: 1.0614227596350436
Energy: 0.9221988628205201
Energy: 0.8976185379609095
Energy: 0.9251368241975111
Energy: 0.9409838031742536
Energy: 1.019659854949155
Energy: 1.5667848944012202
Energy: 1.0192098531314358
Energy: 0.9103269603018889
Energy: 1.1335078052279681
Energy: 1.0186717951513065
Energy: 1.0186519690190323
Energy: 1.0596984298758843
Energy: 1.020655647458518
Energy: 1.0192253131200535
Energy: 1.1336842744862423
Energy: 0.9403723380896942
Energy: 1.0193559681716609
Energy: 1.1022078560119484
Energy: 1.0192503810514038
Energy: 0.9346211554704605
Energy: 1.1348997594118055
Energy: 1.0600329640810888
Energy: 1.060908712987417
Energy: 1.0730733729008477
Energy: 1.0607417741581142
Energy: 1.01870759277562
Energy: 1.3849356128299968
Energy: 1.0623186805461386
Energy: 1.0608413297445103
Energy: 1.0713874250309146
Energy: 1.0611049526547474
Energy: 1.061088697391901
Energy: 1.2757735937983186
Energy: 1.0614936400635013
Energy: 1.0610456088796165
Energy: 1.0742720667569416
Energy: 1.0663525180661286
Energy: 1.0611273826492482
Energy: 1.3858315578750897
Energy: 1.0610388145438006
Energy: 1.0743373311386004
Energy: 1.0751075563093153
Energy: 1.1022991973963572
Energy: 1.0585179306339754
Energy: 1.3397333620672658
Energy: 1.0723464855452047
Energy: 1.0726570609708184
Energy: 1.339658937064146
Energy: 1.0747168296881335
Energy: 1.0614350763420077
Energy: 1.4546335423750871
Energy: 1.0717544601389088
Energy: 1.0717539109295398
Energy: 1.0726691642870714
Energy: 1.0723773474911629
Energy: 1.0718242785667063
Energy: 1.4549253476105535
Energy: 1.0725807430580367
Energy: 1.0982039271245472
Energy: 1.061193853127111
Energy: 1.0722915347633128
Energy: 1.0726044518467088
Energy: 1.5994936151060777
Energy: 1.0740441244465038
Energy: 1.0593937024381073
Energy: 1.0592054830890074
Energy: 1.0592127444700299
Energy: 1.0742407153413507
Energy: 1.748964685529243
Energy: 1.061006152802482
Energy: 1.0603437413146655
Energy: 1.0591028014541815
Energy: 1.0608952870580908
Energy: 1.0737537520376041
Energy: 1.538262041762041
Energy: 1.0615126113591788
Energy: 1.0613313774307953
Energy: 1.0313971481353126
Energy: 1.0614477499769943
Energy: 1.072395928874902
Energy: 1.7489567589519346
Energy: 1.0611836793990512
Energy: 1.0195664711872827
Energy: 1.1135747456226457
Energy: 1.0193949932614754
Energy: 1.0606695750068897
Energy: 1.7438844249479988
Energy: 0.9343788398577878
Energy: 0.9340592053342521
Energy: 1.0312236842179796
Energy: 0.9340342735605945
Energy: 1.0260776303726475
Energy: 1.6787931280504602
Energy: 1.0193967378347444
Energy: 1.0197472148897355
Energy: 1.1431519583967693
Energy: 1.0194102408256962
Energy: 1.046983376484596
Energy: 1.6787417007917262
Energy: 1.0198800734951974
Energy: 0.9120503902739681
Energy: 0.9145969976112667
Energy: 0.9422089864384077
Energy: 1.0454615654054709
Energy: 1.948896878015547
Energy: 0.8993729878299294
Energy: 0.8981193331353876
Energy: 0.9020540936370829
Energy: 0.8980639572516953
Energy: 1.0350329962036346
Energy: 1.7835507094920324
Energy: 0.809059859730231
Energy: 0.8076112932499306
Energy: 0.9034763402115186
Energy: 0.8080063306229173
Energy: 0.934863769556568

minimum gb energy = 0.8074014380597393 eV
minimum distance =  2.28659009729011 Angstroms
sigma value = 81


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

Energy: 1.9440863187848112
Energy: 1.1644451992045848
Energy: 1.0792690153609241
Energy: 0.9098815932949017
Energy: 0.9089022856252947
Energy: 1.2335697274612847
Energy: 1.8456952751624198
Energy: 0.9036310940855294
Energy: 0.9018870902853975
Energy: 0.9018172856779159
Energy: 0.9022190071701985
Energy: 1.0913544477154595
Energy: 1.6736655173083084
Energy: 0.9021843407873058
Energy: 0.9034579999520785
Energy: 0.9035136475209545
Energy: 0.9035742160531058
Energy: 1.0708169081587824
Energy: 1.8326012303930483
Energy: 1.0328725922547088
Energy: 0.908974826672065
Energy: 0.905160982630693
Energy: 0.9091790637269765
Energy: 1.193947767968101
Energy: 1.8329021494912812
Energy: 1.0326367461688226
Energy: 0.9090211303944442
Energy: 1.0402719261011515
Energy: 1.0324956911100145
Energy: 1.0896294782801634
Energy: 1.6766481160263296
Energy: 0.9093093737603439
Energy: 0.9024487820208074
Energy: 1.0737258253563817
Energy: 0.9095928817741019
Energy: 1.246089819520026
Energy: 1.6818455968082744
Energy: 1.195849100555354
Energy: 1.032473625476579
Energy: 1.0394607011107238
Energy: 1.0322228262679087
Energy: 1.195573432358425
Energy: 1.6640943083596493
Energy: 1.196471165771885
Energy: 1.1959252382265504
Energy: 1.054167811054025
Energy: 1.1960017345885725
Energy: 1.2297527699875463
Energy: 1.6829193012142571
Energy: 1.0814005504127024
Energy: 1.0811450678828773
Energy: 1.1823082149399533
Energy: 1.0809747055132193
Energy: 1.196028490139347
Energy: 1.6793861001085353
Energy: 1.269376778642808
Energy: 1.1939940221355476
Energy: 1.2221363655916586
Energy: 1.1941751335236
Energy: 1.2303812540307402
Energy: 1.3419937050292756
Energy: 1.2292760023999438
Energy: 1.2732151848990922
Energy: 1.223602304851895
Energy: 1.2558126823884377
Energy: 1.2289323187759003
Energy: 1.5795730138282191
Energy: 1.2285118625585076
Energy: 1.2562614441198992
Energy: 1.5034027467093363
Energy: 1.228644663297778
Energy: 1.2564006635120977
Energy: 1.3448615692062333
Energy: 1.2852683378216023
Energy: 1.2304273878509566
Energy: 1.5035818398036935
Energy: 1.228925023476127
Energy: 1.195925693894767
Energy: 1.3441457631424452
Energy: 1.1946024673800024
Energy: 1.2303818965527362
Energy: 1.4019801315347646
Energy: 1.2407037960408502
Energy: 1.1940336857998264
Energy: 1.3445564374128258
Energy: 1.0808440169003952
Energy: 1.0813195476311535
Energy: 1.2552096200087561
Energy: 1.0813841586120743
Energy: 1.0809595526437203
Energy: 1.0710790064543716
Energy: 1.1960249355907682
Energy: 1.2259386801794578
Energy: 1.5009009526740973
Energy: 1.1962217268760849
Energy: 1.1961301340538548
Energy: 1.0444361903659396
Energy: 1.0331135223163752
Energy: 1.19611351078012
Energy: 1.2644794066002236
Energy: 1.1959149312538444
Energy: 1.0322168176542674
Energy: 1.0402760814670344
Energy: 0.9011080264533036
Energy: 1.16343975874179
Energy: 1.2304727963648094
Energy: 0.9091861435606042
Energy: 0.9022804688998228
Energy: 1.0404239346244546
Energy: 1.0324690960073448
Energy: 1.157438539753436
Energy: 1.823674329415036
Energy: 1.0328007563829327
Energy: 1.03272161725682
Energy: 0.9087935944966904
Energy: 0.9088761459459122
Energy: 1.158343106594308
Energy: 1.824289056662275
Energy: 1.032655042796388
Energy: 0.9090951775827265
Energy: 0.9028129624748118
Energy: 0.9044264342389632
Energy: 1.0324304977927852
Energy: 1.2643854870339701
Energy: 0.9038413683037091
Energy: 0.9036777443816776
Energy: 0.9066255631500051
Energy: 0.9023210727011017
Energy: 0.9039420547704156
Energy: 1.2310004338795097
Energy: 0.9039796312188932
Energy: 0.9020519930868726
Energy: 0.9115931454630077
Energy: 0.9183146844162919
Energy: 1.2024357263145722
Energy: 1.2396575076043348
Energy: 1.0390844804305148
Energy: 0.913097248724205
Energy: 1.0399931325337803
Energy: 0.9013360215260868
Energy: 0.9022469488967524
Energy: 1.229838308922417
Energy: 0.9036224395676402
Energy: 0.9022684043237899
Energy: 1.0408567535802697
Energy: 1.0324892694028278
Energy: 1.0808937761000317
Energy: 1.2303901566559716
Energy: 1.03240265838823
Energy: 1.032389830443145
Energy: 1.0398128518626981
Energy: 1.0909265181279835
Energy: 1.1951160762872906
Energy: 1.6645271134853448
Energy: 1.1948835680113592
Energy: 1.0325661837833202
Energy: 1.4048962008806556
Energy: 1.1950425858749847
Energy: 1.19531548492424
Energy: 1.6644991491100887
Energy: 1.194986190308526
Energy: 1.2223010481446743
Energy: 1.181760860114681
Energy: 1.0813095856789474
Energy: 1.2574882927943303
Energy: 1.2549694365848176
Energy: 1.2269498873532227
Energy: 1.08089105775267
Energy: 1.343816722611932
Energy: 1.1958713764850801
Energy: 1.2285453310824421
Energy: 1.2285432666885854
Energy: 1.2284394858818555
Energy: 1.1960323109364872
Energy: 1.3445587221783455
Energy: 1.2398261837021476
Energy: 1.2305653763994875
Energy: 1.3414306225972756
Energy: 1.2302523455407481
Energy: 1.2677070340164562
Energy: 1.5040061463857233
Energy: 1.230812282727853
Energy: 1.2594870831427154
Energy: 1.2240153104867981
Energy: 1.2304369726268591
Energy: 1.2253974868594029
Energy: 1.5204191173500583
Energy: 1.2284103024185622
Energy: 1.1960296769140448
Energy: 1.343936629023773
Energy: 1.2411733824501163
Energy: 1.2285427581306085
Energy: 1.5188446059876626
Energy: 1.2276654696990763
Energy: 1.089889747613386
Energy: 1.3441925986285843
Energy: 1.090455627611265
Energy: 1.230496987089314
Energy: 1.678594727724674
Energy: 1.1951708681822313
Energy: 1.1949437748394833
Energy: 1.3442752192403586
Energy: 1.1954977009545844
Energy: 1.224271519067216
Energy: 1.500748743670751
Energy: 1.1952086877526453
Energy: 1.0323270326892338
Energy: 1.0448163659103562
Energy: 1.091203101239863
Energy: 1.2238032722233991
Energy: 1.6735777292068106
Energy: 1.0800829771909153
Energy: 1.0319899270833894
Energy: 1.0432383250317359
Energy: 1.032244143290648
Energy: 1.0815158030649095
Energy: 1.6823506377815642
Energy: 0.9019620507016817
Energy: 0.9019594698856503
Energy: 1.040192574363014
Energy: 0.9011755006312228
Energy: 1.0814525056559754
Energy: 1.8235817821238567
Energy: 1.0326652472865374
Energy: 1.0326085415713406
Energy: 0.9187804299336896
Energy: 1.032658567350333
Energy: 1.223539819503418

minimum gb energy = 0.9011080264533036 eV
minimum distance =  2.30396992350458 Angstroms
sigma value = 43


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

Energy: 1.8042213452603357
Energy: 1.2962610265520098
Energy: 0.9714238361060166
Energy: 0.976240884816611
Energy: 0.9712440225311404
Energy: 1.3620361291883418
Energy: 1.751443353722264
Energy: 0.96565890565445
Energy: 0.964137941694743
Energy: 0.9643123272530578
Energy: 0.9649220443715731
Energy: 1.2934014836191865
Energy: 1.7673179660530396
Energy: 0.9699385178287446
Energy: 0.9671951896238026
Energy: 0.978544195337061
Energy: 0.9668422421861588
Energy: 1.2938807964676926
Energy: 1.747002095836119
Energy: 1.1312207683789468
Energy: 0.9713530699553758
Energy: 0.9709751026438437
Energy: 0.9715664428535067
Energy: 1.3187292800211974
Energy: 1.7468991923276351
Energy: 1.1313164191782583
Energy: 0.9713542030676271
Energy: 1.145199629970054
Energy: 1.131193114064155
Energy: 1.1841427328956986
Energy: 1.7663638917017803
Energy: 1.1313812163139423
Energy: 0.9701866970733679
Energy: 1.1836901927084624
Energy: 0.9709509370870028
Energy: 1.3792569265045171
Energy: 1.5445733830073531
Energy: 1.320109433876568
Energy: 1.1313635056975113
Energy: 1.1449191519819397
Energy: 1.1310546425158743
Energy: 1.3197725562886398
Energy: 1.6061831453074142
Energy: 1.3207626381633326
Energy: 1.3608145497753905
Energy: 1.1456856560156923
Energy: 1.3202581817636814
Energy: 1.3200300056537877
Energy: 1.5439710799020272
Energy: 1.4029514002722157
Energy: 1.1859875411094314
Energy: 1.328929294087599
Energy: 1.320359370448341
Energy: 1.3729646878150037
Energy: 1.5416081297211996
Energy: 1.3266628355930767
Energy: 1.3197523475276185
Energy: 1.3936743101236657
Energy: 1.319799457303512
Energy: 1.320095539514794
Energy: 1.5426466438320052
Energy: 1.3200770664087862
Energy: 1.3152411635178693
Energy: 1.394968746983685
Energy: 1.3575511594656025
Energy: 1.187370369774369
Energy: 1.54359671499389
Energy: 1.3200871151103597
Energy: 1.3199855809169394
Energy: 1.6000078451663162
Energy: 1.3198162444418846
Energy: 1.2225030891403115
Energy: 1.1531159891741103
Energy: 1.1311041494231726
Energy: 1.3395785166790974
Energy: 1.3729862131775037
Energy: 1.320178548842255
Energy: 1.1310910981384072
Energy: 1.1527982958057896
Energy: 1.1310302148317175
Energy: 1.3751255540870035
Energy: 1.6003140982408648
Energy: 1.1310139165466147
Energy: 1.1416236420745656
Energy: 1.1450693216642145
Energy: 0.9707329674114037
Energy: 0.9622964747112229
Energy: 1.4134659573806037
Energy: 0.9672637319159584
Energy: 0.9645411587850953
Energy: 0.9654719837297772
Energy: 1.1313296969221422
Energy: 1.2852043387525451
Energy: 1.3392717675698225
Energy: 1.1312238504160002
Energy: 0.985098501276851
Energy: 0.9636094233819774
Energy: 0.9637641097982412
Energy: 1.2931177822208777
Energy: 1.3395026238928243
Energy: 0.9642902977373637
Energy: 0.963705729230011
Energy: 0.9667044976277552
Energy: 0.9655583939507892
Energy: 1.1315344295782348
Energy: 1.3819370224716587
Energy: 0.9653699995934679
Energy: 0.9774461412318831
Energy: 0.9708033981835278
Energy: 0.9716964568093543
Energy: 1.131290087994945
Energy: 1.6125251752046044
Energy: 1.131252356338034
Energy: 0.9715468306277705
Energy: 1.1448536410488996
Energy: 1.131283335403024
Energy: 1.13138730740213
Energy: 1.1843624155561812
Energy: 1.1312564928542557
Energy: 0.970905800841672
Energy: 1.1459820504020761
Energy: 0.963219706874914
Energy: 1.130832414950979
Energy: 1.3896388488723626
Energy: 0.9710585674192844
Energy: 0.9647256265733678
Energy: 1.145117412456718
Energy: 1.1312079112984426
Energy: 1.3200195762766407
Energy: 1.3733804254065323
Energy: 1.1857650882678645
Energy: 1.131431637465041
Energy: 1.179917724068546
Energy: 1.2218720220738024
Energy: 1.3346130679873829
Energy: 1.367747336709552
Energy: 1.3240871567945613
Energy: 1.131313061076058
Energy: 1.3286335095116855
Energy: 1.3202357117311403
Energy: 1.4044901939244938
Energy: 1.3735911590502008
Energy: 1.3583637651678198
Energy: 1.1858887180567863
Energy: 1.3500225121204206
Energy: 1.3196734666637548
Energy: 1.3265484652852708
Energy: 1.5426852213038764
Energy: 1.3197828092243582
Energy: 1.3196889938362166
Energy: 1.5437361343313527
Energy: 1.3145803431327512
Energy: 1.320204903282563
Energy: 1.3936858346056458
Energy: 1.320496471815292
Energy: 1.3203745294987868
Energy: 1.749357000623013
Energy: 1.3198031100070224
Energy: 1.3199994281507876
Energy: 1.5421712310149216
Energy: 1.3201538978845588
Energy: 1.357396132243421
Energy: 1.7479567138485588
Energy: 1.3204131590067882
Energy: 1.1314870252120326
Energy: 1.1530186765066799
Energy: 1.2218573995238322
Energy: 1.3394626495858795
Energy: 1.7676414564532854
Energy: 1.32046421593497
Energy: 1.131125353477362
Energy: 1.1525205022195815
Energy: 1.1312832627105216
Energy: 1.3750651209173963
Energy: 1.7675167655673905
Energy: 0.9633870303549988
Energy: 0.9633498937504281
Energy: 1.145752767932826
Energy: 0.9634445604812805
Energy: 1.3303487219436265
Energy: 1.8131634549343552
Energy: 1.1319626723629028
Energy: 1.131204320663793
Energy: 1.1910283465673783
Energy: 1.131570430060616
Energy: 1.284983364078669

minimum gb energy = 0.9622964747112229 eV
minimum distance =  2.29247918427285 Angstroms
sigma value = 57


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

Energy: 1.6531950873003316
Energy: 1.4769560092312108
Energy: 1.0365115539685914
Energy: 1.0588566417424006
Energy: 1.036587129844088
Energy: 1.477163222487364
Energy: 1.5671423433813227
Energy: 1.036393755063864
Energy: 1.0363825830264624
Energy: 1.0361701000199042
Energy: 1.0363621718596165
Energy: 1.506248607591001
Energy: 1.5916585445357787
Energy: 1.3224526029993409
Energy: 1.037238897751293
Energy: 1.0382458144798712
Energy: 1.0381764834987293
Energy: 1.539542102666531
Energy: 1.5833505761007367
Energy: 1.2658867797260587
Energy: 1.0366656561163436
Energy: 1.0539089871441405
Energy: 1.0361846471162888
Energy: 1.295017434817966
Energy: 1.583645912240204
Energy: 1.305533476857183
Energy: 1.037059142389582
Energy: 1.070418735892973
Energy: 1.037014636955855
Energy: 1.1467360131992916
Energy: 1.5912512763694533
Energy: 1.3060231342105109
Energy: 1.3051779451428775
Energy: 1.3409408133851237
Energy: 1.305904272263154
Energy: 1.5198064023531752
Energy: 1.5917053967794066
Energy: 1.296977716365974
Energy: 1.2657835568514373
Energy: 1.0755650884636843
Energy: 1.3196627288539615
Energy: 1.3250493550895512
Energy: 1.3286473561366077
Energy: 1.4748322021463236
Energy: 1.3461655090773037
Energy: 1.3379822671863424
Energy: 1.5199882462813776
Energy: 1.478393205774192
Energy: 1.3274402817738946
Energy: 1.2967125719363408
Energy: 1.2706515902590663
Energy: 1.6164227696237392
Energy: 1.474804983257254
Energy: 1.3566663939917507
Energy: 1.325098535979617
Energy: 1.2658820618351734
Energy: 1.5096184142120181
Energy: 1.5918645109047458
Energy: 1.4750938877538884
Energy: 1.059176791143104
Energy: 1.3022132956131511
Energy: 1.036764043231924
Energy: 1.5548481859380583
Energy: 1.302804686390127
Energy: 1.306370265310878
Energy: 1.0364723559654423
Energy: 1.3195970390652862
Energy: 1.2856545063700846
Energy: 1.3056542039736243
Energy: 1.532440913120188
Energy: 1.2661336166925083
Energy: 1.0596396058730968
Energy: 1.0362379840261655
Energy: 1.0591296607288754
Energy: 1.4658152673771612
Energy: 1.5354792222602582
Energy: 1.286448936804167
Energy: 1.0590628084974072
Energy: 1.0413945059336969
Energy: 1.0379431683894966
Energy: 1.3058809431600498
Energy: 1.3536627174588822
Energy: 1.0374544842587132
Energy: 1.037590208961273
Energy: 1.0531413119214423
Energy: 1.036308844345499
Energy: 1.3241822970024553
Energy: 1.5916992025358583
Energy: 1.0377604279832084
Energy: 1.0529850894572934
Energy: 1.0535811900766867
Energy: 1.0542658506400409
Energy: 1.2942540098580164
Energy: 1.5713349888590205
Energy: 1.2665073676169254
Energy: 1.0539989447475993
Energy: 1.302322789101201
Energy: 1.305488610847161
Energy: 1.3053390617902745
Energy: 1.5920631107112038
Energy: 1.306242105455936
Energy: 1.0365805498276255
Energy: 1.3022332492572695
Energy: 1.3052335250699114
Energy: 1.2968485590118555
Energy: 1.5911997027553109
Energy: 1.3054587672377906
Energy: 1.2657723123215465
Energy: 1.3091604319456063
Energy: 1.3251596670034855
Energy: 1.5064013115971995
Energy: 1.3250772507368176
Energy: 1.5060817739874879
Energy: 1.0368837355819676
Energy: 1.5919984831829472
Energy: 1.50633481661288
Energy: 1.4750818611163856
Energy: 1.324997836764415
Energy: 1.5061209094480652
Energy: 1.3562769813321156
Energy: 1.6072620086231928
Energy: 1.4784371657570505
Energy: 1.3249837370731432
Energy: 1.3270823161519743
Energy: 1.3256236996302335
Energy: 1.270217015979712
Energy: 1.591966695795405
Energy: 1.5061722097538084
Energy: 1.2854864123259022
Energy: 1.3190374187515954
Energy: 1.2659807294618965
Energy: 1.3574039483683584
Energy: 1.5915479124739769
Energy: 1.3059189889731788
Energy: 1.2898232118365418
Energy: 1.3409191532223288
Energy: 1.2675585479722828
Energy: 1.5194561694867783
Energy: 1.566859914574651
Energy: 1.2659661766610288
Energy: 1.0602758073556557
Energy: 1.0523871023149
Energy: 1.2859050264601841
Energy: 1.4660810425631872

minimum gb energy = 1.0361701000199042 eV
minimum distance =  2.30533033167077 Angstroms
sigma value = 17


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

Energy: 2.170143987105157
Energy: 1.737993702135229
Energy: 1.1249747160960348
Energy: 1.3792853502330342
Energy: 1.1250429352670621
Energy: 1.119233676431379
Energy: 1.2027519809411746
Energy: 1.1254682325896739
Energy: 1.12484917402504
Energy: 1.1389359075495962
Energy: 1.125156355925624
Energy: 1.4540429893773228
Energy: 1.2117929118565847
Energy: 1.1255267018336734
Energy: 1.1250238707501463
Energy: 1.1395838886972027
Energy: 1.1260330632039977
Energy: 1.2697880901588046
Energy: 1.5713152967733692
Energy: 1.1253004097480805
Energy: 1.1251734773947872
Energy: 1.1651299645860322
Energy: 1.1258951283997165
Energy: 1.1253567060627616
Energy: 1.571498131946931
Energy: 1.2348498212460082
Energy: 1.4538258718445183
Energy: 1.177694719634843
Energy: 1.4541455494673765
Energy: 1.2348567704412952
Energy: 1.2120466085406647
Energy: 1.246135669226593
Energy: 1.4747855360307993
Energy: 1.1185576552446275
Energy: 1.4749296811564856
Energy: 1.4994932127231044
Energy: 1.1784028009867118
Energy: 1.2491987243444282
Energy: 1.4539369016337607
Energy: 1.1785608566798353
Energy: 1.2346997728464018
Energy: 1.1253106208640837
Energy: 1.566992457214043
Energy: 1.4690552564151358
Energy: 1.2350232878058716
Energy: 1.1773739151046165
Energy: 1.484028255036239
Energy: 1.1393703744771908
Energy: 1.21270227150155
Energy: 1.4933810732863853
Energy: 1.7097700175099255
Energy: 1.1193814237883355
Energy: 1.454037421041364
Energy: 1.1831686157723835
Energy: 1.1716815210098037
Energy: 1.1252215272593828
Energy: 1.2349504042339425
Energy: 1.2028994680806955
Energy: 1.128432297916894
Energy: 1.1249177915706032
Energy: 1.1388715643419627
Energy: 1.1250448418067007
Energy: 1.483717868856997
Energy: 1.2071958032706027
Energy: 1.1401388664601757
Energy: 1.1354586249441192
Energy: 1.165195630629341
Energy: 1.1254147008056672
Energy: 1.2349458854397466
Energy: 1.5724548898451713
Energy: 1.1401416096293324
Energy: 1.1253843230450964
Energy: 1.1783473582280486
Energy: 1.4542929227182262
Energy: 1.1255462135695173
Energy: 1.5714509860269692
Energy: 1.1255794762601279
Energy: 1.182344080075266
Energy: 1.1184886432471033
Energy: 1.4752669431444527
Energy: 1.2706945600236723
Energy: 1.2117362069803395
Energy: 1.475210677210658
Energy: 1.1189955175667567
Energy: 1.1789897060372352
Energy: 1.4539323019642378
Energy: 1.4595215626831792
Energy: 1.1899098421487562
Energy: 1.2499792677151667
Energy: 1.4544006296489616
Energy: 1.2117857772472125
Energy: 1.24976779664261
Energy: 1.4878031058942238
Energy: 1.13943728361895
Energy: 1.487570320084727
Energy: 1.1824749720955958
Energy: 1.2029145376156607
Energy: 1.4690624572735778
Energy: 1.4930915979434314
Energy: 1.212899536266203
Energy: 1.454163292874931
Energy: 1.1184886201626325

minimum gb energy = 1.1184886201626325 eV
minimum distance =  2.31496886376925 Angstroms
sigma value = 17


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

Energy: 2.306379796249538
Energy: 1.2131990821287544
Energy: 1.1954981015703767
Energy: 1.1979327165130045
Energy: 1.1954003595863556
Energy: 1.2258584985559708
Energy: 1.4466015728566173
Energy: 1.196031566403941
Energy: 1.1954896369880752
Energy: 1.1962351677281728
Energy: 1.1962933428280675
Energy: 1.4624493978644386
Energy: 1.4269914409836515
Energy: 1.1978650005498994
Energy: 1.1949883636166103
Energy: 1.1962628867850167
Energy: 1.1954096827548728
Energy: 1.261062835173093
Energy: 1.731991784564202
Energy: 1.511510311435546
Energy: 1.197653408120909
Energy: 1.1972341504196613
Energy: 1.1978528893199352
Energy: 1.6980607603969329
Energy: 1.7392279214754316
Energy: 1.4419246033876105
Energy: 1.4975905262734415
Energy: 1.2353881214962026
Energy: 1.4169975393881693
Energy: 1.4557548409141687
Energy: 1.2089814967046302
Energy: 1.1974070446080607
Energy: 1.767633934992021
Energy: 1.7585817256055567
Energy: 1.496872950216915
Energy: 1.195373081229678
Energy: 1.2029544985195153
Energy: 1.1961999318315175
Energy: 1.6630376824295556
Energy: 1.5427923756580928
Energy: 1.1955645848824243
Energy: 1.1954083894635614
Energy: 1.1989001552296008
Energy: 1.1953873192153
Energy: 1.1935400653595778
Energy: 1.1979474894278224
Energy: 1.1950165667479462
Energy: 1.1950461713193599
Energy: 1.2070193423780191
Energy: 1.217608965679377
Energy: 1.6605085894004246
Energy: 1.9037526916550218
Energy: 1.2022305309556571
Energy: 1.1996815598949353
Energy: 1.3967626992443996
Energy: 1.198354929984824
Energy: 1.4014988629190435
Energy: 1.4088382999743903
Energy: 1.4010439270383626
Energy: 1.1957435454624183
Energy: 1.3999639357031646
Energy: 1.400294717966777
Energy: 1.471011444146763
Energy: 1.426963394444298
Energy: 1.4623744525392293
Energy: 1.4002407418510696
Energy: 1.3973123726832424
Energy: 1.4529839496493977
Energy: 1.665219648791063
Energy: 1.7612676891926111
Energy: 1.6545318693277178
Energy: 1.4010867301904362
Energy: 1.29793520907614
Energy: 1.6973220529219792
Energy: 1.6652403677360692
Energy: 1.7794718750749317
Energy: 1.6713912474305934
Energy: 1.4772601491888637
Energy: 1.9058710653109807
Energy: 1.1733230665402914
Energy: 1.4135352610706269
Energy: 1.2002621499120782
Energy: 1.5174319531191556
Energy: 1.161775613232227
Energy: 1.5924216480438818
Energy: 1.1641087753312633
Energy: 1.1636375925204026
Energy: 1.1727270077512324
Energy: 1.1637099056055993
Energy: 1.6230392877305584
Energy: 1.2756608886911023
Energy: 1.159733080288841
Energy: 1.1594893298217666
Energy: 1.1662320921969098
Energy: 1.1603324730676452
Energy: 1.4771743968079656
Energy: 1.7245259719901518
Energy: 1.3706604151573227
Energy: 1.1779141417619794
Energy: 1.2047183255345342
Energy: 1.1782012641248116
Energy: 1.6233723261432993
Energy: 1.7243655811661285
Energy: 1.6181915935821862
Energy: 1.1641091290531878
Energy: 1.4313033093838472
Energy: 1.17391459965786
Energy: 1.4133346575884138
Energy: 1.4128417612896218
Energy: 1.477283715457287
Energy: 1.6942591285771254
Energy: 1.6038474474966447
Energy: 1.6990573698068354
Energy: 1.4027920877078555
Energy: 1.3984311197911643
Energy: 1.397187176860521
Energy: 1.367786203686725
Energy: 1.7593964554774992
Energy: 1.4715560612566423
Energy: 1.401163900171459
Energy: 1.3995083248797138
Energy: 1.4129611316919846
Energy: 1.4624650568074093
Energy: 1.4157409082407082
Energy: 1.40088892910178
Energy: 1.39862055133407
Energy: 1.4283558488798567
Energy: 1.198531413662355
Energy: 1.5621104763429485
Energy: 1.6418208656629367
Energy: 1.4094243797249397
Energy: 1.4462828462868382
Energy: 1.2026217751206398
Energy: 1.2052421099537851
Energy: 1.4008962184613631
Energy: 1.5695064803949532
Energy: 1.1963601781114526
Energy: 1.196494264971912
Energy: 1.194060622381872
Energy: 1.193867604003272
Energy: 1.193928276043699
Energy: 1.2178264011902888
Energy: 1.1938824476149992
Energy: 1.194126438770539
Energy: 1.1976976916849205
Energy: 1.1976804234069764
Energy: 1.667902995493655
Energy: 1.5522129195918914
Energy: 1.1954654571682322
Energy: 1.1961714069176435
Energy: 1.2360188213687544
Energy: 1.8183332029903487
Energy: 1.7611399386812607
Energy: 1.774814093227821
Energy: 1.5035142491117282
Energy: 1.2364370586873816
Energy: 1.8891343889316752
Energy: 1.4968191627778407
Energy: 1.2355428372697832
Energy: 1.235833020174674
Energy: 1.8170049794188616
Energy: 1.757987706721672
Energy: 1.8894949841240387
Energy: 1.1955241807999122
Energy: 1.1957608376019588
Energy: 1.1972153705998905
Energy: 1.2007108866889475
Energy: 1.416390931237063
Energy: 1.235069732515303
Energy: 1.1941549473018824
Energy: 1.1937014597290214
Energy: 1.193803277926888
Energy: 1.1938646620551763
Energy: 1.6757617847368829
Energy: 1.7219357272203355
Energy: 1.4139445422021317
Energy: 1.209136913659098
Energy: 1.2076252474854363
Energy: 1.2075205636384154
Energy: 1.6212773324584238
Energy: 1.7473332193260211
Energy: 1.4091864977022783
Energy: 1.1987644137678553
Energy: 1.4528384006871637
Energy: 1.2072739532318624
Energy: 1.6271143453501509
Energy: 1.4044741728953443
Energy: 1.4629256282474188
Energy: 1.4114468654674033
Energy: 1.418034266358273
Energy: 1.4120330079793277
Energy: 1.4497172710380417
Energy: 1.734389403931728
Energy: 1.6374906482123373
Energy: 1.4019668926626976
Energy: 1.3983856604382148
Energy: 1.4623790711457925
Energy: 1.3703377799788083
Energy: 1.7484885475989664
Energy: 1.6951521743679356
Energy: 1.4781244413162733
Energy: 1.4126285345536236
Energy: 1.4473056202402046
Energy: 1.6708876005810152
Energy: 1.4315868310509021
Energy: 1.1741448403820305
Energy: 1.6208807790318274
Energy: 1.9381252564360663
Energy: 1.1740390107882497
Energy: 1.2263103751983127
Energy: 1.1730725194411908
Energy: 1.1734131414352507
Energy: 1.6233612159082274
Energy: 1.9382529199756489
Energy: 1.163257947425561
Energy: 1.1639124166662576
Energy: 1.1637345566075616
Energy: 1.1594512444068052
Energy: 1.1610550454387998
Energy: 1.4133727535028426
Energy: 1.1607333010349314
Energy: 1.1601476958079442
Energy: 1.1738189740018345
Energy: 1.1692589284392458
Energy: 1.6236219966033072
Energy: 1.4119529411180485
Energy: 1.1635623324623583
Energy: 1.1641518072919133
Energy: 1.1748844091115616
Energy: 1.226019296265702
Energy: 1.4931725580354487
Energy: 1.9074484669668998
Energy: 1.1634515314390754
Energy: 1.437232926229459
Energy: 1.5715136971752632
Energy: 1.6702848362003906
Energy: 1.6521652604955606
Energy: 1.4124049611998817
Energy: 1.6671876445547338
Energy: 1.6629277542819632
Energy: 1.7259831209232264
Energy: 1.670174268996174
Energy: 1.4010831385855371
Energy: 1.3969155728329623
Energy: 1.4526116101247868
Energy: 1.369896892449789
Energy: 1.4220027781520972
Energy: 1.4625703430848433
Energy: 1.4002966922543008
Energy: 1.417568680283075
Energy: 1.4004027039588662
Energy: 1.368445318832574
Energy: 1.5584089443754319
Energy: 1.4006726683465731
Energy: 1.1962553465051695
Energy: 1.3985798248632169
Energy: 1.1961779056151307
Energy: 1.5625722949012135

minimum gb energy = 1.1594512444068052 eV
minimum distance =  2.26601559757799 Angstroms
sigma value = 57


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

Energy: 1.889011593010464
Energy: 1.8713104614182179
Energy: 1.2025566717796805
Energy: 1.2488541013971368
Energy: 1.2020241701910857
Energy: 1.871413442277546
Energy: 1.3467913208902327
Energy: 1.2020577533675199
Energy: 1.2019491181691468
Energy: 1.206021831925593
Energy: 1.2018803374686682
Energy: 1.547585580513342
Energy: 1.538947070479413
Energy: 1.2001083328222064
Energy: 1.2012325123649745
Energy: 1.202628347989145
Energy: 1.2017364993812945
Energy: 1.2790381480810273
Energy: 1.551816120430955
Energy: 1.493785478406061
Energy: 1.203884132003512
Energy: 1.236613416357642
Energy: 1.2026064216502494
Energy: 1.7484539059746897
Energy: 1.6082029200959138
Energy: 1.7555141511454198
Energy: 1.494201402268501
Energy: 1.8226536097175554
Energy: 1.4942322578455
Energy: 1.4977040097447358
Energy: 1.2520677447730504
Energy: 1.2147403866518771
Energy: 1.7686162660629927
Energy: 1.8474067936680356
Energy: 1.4999715070611215
Energy: 1.2085770849813038
Energy: 1.2168195136876603
Energy: 1.207156860346917
Energy: 1.7613716897184446
Energy: 1.5384964835779809
Energy: 1.2023863499771312
Energy: 1.2064021677797077
Energy: 1.2132028385760218
Energy: 1.2076051181140424
Energy: 1.1968750483148183
Energy: 1.2087678498969119
Energy: 1.1980105408751485
Energy: 1.2136044981515177
Energy: 1.2367828929772646
Energy: 1.2436198847523547
Energy: 1.7525038907351327
Energy: 1.5437293266762113
Energy: 1.237574629467166
Energy: 1.2365171715016356
Energy: 1.537684956572964
Energy: 1.2015146878624854
Energy: 1.5298510789332274
Energy: 1.528660411417038
Energy: 1.5283646495889749
Energy: 1.201500371927553
Energy: 1.2503943491987481
Energy: 1.5249581143902697
Energy: 1.3281594182940306
Energy: 1.5387799013390249
Energy: 1.3273913067822962
Energy: 1.5259952308986051
Energy: 1.537705997502518
Energy: 1.328111685301087
Energy: 1.5140735700804555
Energy: 1.5467765872976986
Energy: 1.52041693352187
Energy: 1.228268195938377
Energy: 1.3130743211584064
Energy: 1.5242578194415042
Energy: 1.513269846421382
Energy: 1.5469911945892423
Energy: 1.5109804584756141
Energy: 1.3286932977320054
Energy: 1.8553591993118186
Energy: 1.585901655608461
Energy: 1.260006521600899
Energy: 1.2608489131765448
Energy: 1.2110168526849014
Energy: 1.1495510410241003
Energy: 1.3484096154003582
Energy: 1.201965392894746
Energy: 1.2033129737878971
Energy: 1.2121701248105585
Energy: 1.2015318329513103
Energy: 1.3318030325228687
Energy: 1.5380648042810556
Energy: 1.2004659179689354
Energy: 1.2007950754710643
Energy: 1.20107614733346
Energy: 1.19980361640602
Energy: 1.286960572005311
Energy: 1.5276395560899858
Energy: 1.4935940833185806
Energy: 1.202597831474446
Energy: 1.236691246729339
Energy: 1.201900267103309
Energy: 1.4785876195996857
Energy: 1.5372945137367782
Energy: 1.7624323796963521
Energy: 1.4962348452158742
Energy: 1.26618104217682
Energy: 1.4930565660865145
Energy: 1.4788784605583285
Energy: 1.236880977363122
Energy: 1.2017139497815856
Energy: 1.7653962084367971
Energy: 1.8454317479383424
Energy: 1.8229044204413942
Energy: 1.2091716730850053
Energy: 1.2238454947692696
Energy: 1.212515539622313
Energy: 1.768215730584663
Energy: 1.5410302106006868
Energy: 1.2022100347182954
Energy: 1.2127377165560194
Energy: 1.2110937231719463
Energy: 1.2083999729822952
Energy: 1.1957878070669452
Energy: 1.2098706682218592
Energy: 1.208715062662573
Energy: 1.2095231974297602
Energy: 1.2406723965736655
Energy: 1.2423503475838567
Energy: 1.7512330046678044
Energy: 1.5960928591408299
Energy: 1.2026493425310922
Energy: 1.2405397432420122
Energy: 1.5597208726499499
Energy: 1.2017543051661397
Energy: 1.530040360333622
Energy: 1.5281751487253867
Energy: 1.5129271989306585
Energy: 1.2139891212568343
Energy: 1.247448489041894
Energy: 1.5218199212162977
Energy: 1.327270313665562
Energy: 1.5555653335427897
Energy: 1.3272541784544727
Energy: 1.5221227609621577
Energy: 1.5392623999243868
Energy: 1.5281352932597823
Energy: 1.5129282312608063
Energy: 1.5388714833440589
Energy: 1.3287441473534016
Energy: 1.2020830725514773
Energy: 1.3120777666571695
Energy: 1.5470135065523047
Energy: 1.5124819100273024
Energy: 1.5523788449414795
Energy: 1.5235966898573812
Energy: 1.3289389216560703
Energy: 1.8538317690249801
Energy: 1.5199566731191383
Energy: 1.2601894850588233
Energy: 1.261403667927323
Energy: 1.2111030636464792
Energy: 1.7467721598012853

minimum gb energy = 1.1495510410241003 eV
minimum distance =  2.2852183549061 Angstroms
sigma value = 43


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

Energy: 2.189238361381945
Energy: 1.868793892849881
Energy: 1.2309353277123944
Energy: 1.234706658294556
Energy: 1.4809233217663669
Energy: 1.8394554832697645
Energy: 1.2634210682558042
Energy: 1.2394279211623895
Energy: 1.2447530468900982
Energy: 1.2435172556862324
Energy: 1.2389986579095107
Energy: 1.49451753511236
Energy: 1.4972994861052416
Energy: 1.2356476872191116
Energy: 1.2407692057603485
Energy: 1.2449460577190092
Energy: 1.2452987627856045
Energy: 1.7176711179327366
Energy: 1.4914592254277965
Energy: 1.726302034643238
Energy: 1.2382445681937972
Energy: 1.2321338984825736
Energy: 1.2374208199702694
Energy: 1.7378144511653975
Energy: 1.4968660144952395
Energy: 1.4821786693936259
Energy: 1.5093340760037837
Energy: 1.3448052532942816
Energy: 1.7350779361837108
Energy: 1.200654849489009
Energy: 1.1985263796508865
Energy: 1.192450492834265
Energy: 1.8356372408438535
Energy: 1.7293947014814988
Energy: 1.5629708737650818
Energy: 1.1975895706579005
Energy: 1.2046499655265848
Energy: 1.2012100788244466
Energy: 1.4841485252200723
Energy: 1.2325640317243645
Energy: 1.1944634943012984
Energy: 1.2008365203265348
Energy: 1.2046331180440288
Energy: 1.2003648846327892
Energy: 1.4900666808420144
Energy: 1.3672272624687238
Energy: 1.199426326863781
Energy: 1.2050715686769333
Energy: 1.206715461108885
Energy: 1.1926387339850177
Energy: 1.5095282190564208
Energy: 1.6873191977842834
Energy: 1.4984655159290563
Energy: 1.2052541475442848
Energy: 1.497393485629766
Energy: 1.2005113877927838
Energy: 1.4943383676578597
Energy: 1.3672924705333955
Energy: 1.7159654757269425
Energy: 1.2002338178967946
Energy: 1.7119295809199229
Energy: 1.735564767778838
Energy: 1.2403347862241854
Energy: 1.2361925510555976
Energy: 1.2391212626604113
Energy: 1.6708485704794358
Energy: 1.4866703671595896
Energy: 1.2407024225517551
Energy: 1.2463185522298172
Energy: 1.244671248227798
Energy: 1.245220595128951
Energy: 1.4502631742571264
Energy: 1.5328759592913588
Energy: 1.2321574887954896
Energy: 1.2397027471707385
Energy: 1.2430921092322973
Energy: 1.2386438824916055
Energy: 1.3919442463981966
Energy: 1.950497266058972
Energy: 1.234217356570968
Energy: 1.2265071200262643
Energy: 1.2363645445618976
Energy: 1.23014329380065
Energy: 1.1920373497123233
Energy: 1.2860112850269416
Energy: 1.4862710310534546
Energy: 1.2421323235220618
Energy: 1.5126407218819513
Energy: 1.4917081187151966
Energy: 1.4977780073135902
Energy: 1.491111235522545
Energy: 1.3925127639311674
Energy: 1.4947373056064313
Energy: 1.5137271652000506
Energy: 1.49795178875217
Energy: 1.4914626470302894
Energy: 1.503269115057691
Energy: 1.48980868839419
Energy: 1.4867636948120728
Energy: 1.4865307018933942
Energy: 1.3932380119558627
Energy: 1.4913863125090545
Energy: 1.5039879436949564
Energy: 1.2401064245413564
Energy: 1.5029596074574965
Energy: 1.325184709754719
Energy: 1.5031946164064218
Energy: 1.4912313969181608
Energy: 1.2343901905751566
Energy: 1.4848635168819246
Energy: 1.8676169197017047
Energy: 1.190620720495387
Energy: 1.7996087217320944
Energy: 1.2356663775713497
Energy: 1.2432761612203658
Energy: 1.2404091737128675
Energy: 1.2385175853639696
Energy: 1.325278159368991
Energy: 1.239407182881522
Energy: 1.2448443089001244
Energy: 1.249597938224109
Energy: 1.2405374020400537
Energy: 1.4894229988773164
Energy: 1.4912527134234717
Energy: 1.2353437819790627
Energy: 1.2452469961557546
Energy: 1.2364695123973923
Energy: 1.2377673529361461
Energy: 1.7540501307131728
Energy: 1.6907637948610397
Energy: 1.7249078147922994
Energy: 1.2382296058049866
Energy: 1.3436815304002487
Energy: 1.499345249466147
Energy: 1.196578638740314
Energy: 1.501345447753481
Energy: 1.7347231099775406
Energy: 1.5025140919869573
Energy: 1.733369753718747
Energy: 1.5558127036756695
Energy: 1.1971916212364306
Energy: 1.2020364935789964
Energy: 1.1925011610595135
Energy: 1.839885587343109
Energy: 1.2365816489009038
Energy: 1.2003683006290038
Energy: 1.2007527305831385
Energy: 1.204738996686367
Energy: 1.2009209479447844
Energy: 1.3387279217777357
Energy: 1.3676146122767037
Energy: 1.1933160002724676
Energy: 1.2049798964134117
Energy: 1.2047042689470853
Energy: 1.200721337648346
Energy: 1.5524850132081782
Energy: 1.4870843689093656
Energy: 1.4984252724386524
Energy: 1.1973084440726243
Energy: 1.206916388313061
Energy: 1.1993899888862771
Energy: 1.443727925674329
Energy: 1.565028297241477
Energy: 1.4932533030123973
Energy: 1.2004876719985076
Energy: 1.4912446202339658
Energy: 1.5090754136256026
Energy: 1.5033975275777218
Energy: 1.2363317242002914
Energy: 1.2383557102562137
Energy: 1.7684287819836995
Energy: 1.7338617584370224
Energy: 1.736177199742362
Energy: 1.245420041373581
Energy: 1.242974960238624
Energy: 1.2407619779718675
Energy: 1.7233117942973546
Energy: 1.4866412487586322
Energy: 1.2403784047855275
Energy: 1.2465430867779836
Energy: 1.2425390817152113
Energy: 1.239852220226835
Energy: 1.2318497550334289
Energy: 1.5327158131660013
Energy: 1.232618281433773
Energy: 1.239342926610905
Energy: 1.2315940630353515
Energy: 1.22998935866657
Energy: 1.5547796825288918
Energy: 1.7714055606614694
Energy: 1.2386692242712376
Energy: 1.2314373512626022
Energy: 1.4969207575307473
Energy: 1.2387358896129255
Energy: 1.4979854644780628
Energy: 1.2441770325643242
Energy: 1.4854445536935017
Energy: 1.2390177337362924
Energy: 1.279430652930328
Energy: 1.5005362460604599
Energy: 1.548572056074524
Energy: 1.4907494136833566
Energy: 1.3976944342509037
Energy: 1.4928103659979506
Energy: 1.4967470093712958
Energy: 1.3925525784092452
Energy: 1.4900265155878705
Energy: 1.5132396754139805
Energy: 1.4911391273971204
Energy: 1.4915861904567747
Energy: 1.483860149760676
Energy: 1.4979041456365874
Energy: 1.4905939867827602
Energy: 1.513102397440395
Energy: 1.2400690388066231
Energy: 1.3916727590430642

minimum gb energy = 1.190620720495387 eV
minimum distance =  2.28300548700414 Angstroms
sigma value = 81


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

Energy: 1.208144408570712
Energy: 1.2083204977985609
Energy: 1.6756730688171173
Energy: 1.458897112652116
Energy: 1.6757156754999614
Energy: 1.208600572027748
Energy: 1.2083673749948691
Energy: 1.4589151768905577
Energy: 1.2087347832858877
Energy: 1.2093051352176412
Energy: 1.4599725221866386
Energy: 1.3502989334029378
Energy: 1.348873968573345
Energy: 1.34892285224368
Energy: 1.209305644457403
Energy: 1.2094982111306365
Energy: 1.2089877243641793
Energy: 1.5340574790841275
Energy: 1.3493987731564585
Energy: 1.3490098097829566
Energy: 1.2089743148479706
Energy: 1.4582386148623445
Energy: 1.4610952592900914
Energy: 1.3484730670503058
Energy: 1.3489601429576803
Energy: 1.3505513500652813
Energy: 1.350628146956661
Energy: 1.2083000298433093
Energy: 1.3503001639229377
Energy: 1.3506560165456114
Energy: 1.458878865022206
Energy: 1.4585878326058854
Energy: 1.2084111908624129
Energy: 1.2081506684306536
Energy: 1.3504999272554417
Energy: 1.208876975446003
Energy: 1.208883808778591
Energy: 1.2082381195507377
Energy: 1.3504217544709798
Energy: 1.4586654684407745
Energy: 1.460873645308118
Energy: 1.2095494146586598
Energy: 1.209325708010798
Energy: 1.2093641379484004
Energy: 1.3503427213630557
Energy: 1.3489475941768614
Energy: 1.4610190924388158
Energy: 1.2091674895703977
Energy: 1.4582162493557238
Energy: 1.6756611585902732
Energy: 1.3505040458502544
Energy: 1.350814235760096
Energy: 1.3505757571811314
Energy: 1.4583851876615652
Energy: 1.2083838701157061
Energy: 1.4604790380901005
Energy: 1.3502256574494569
Energy: 1.3490645688290905
Energy: 1.3488832192501974
Energy: 1.350751151136289

minimum gb energy = 1.208144408570712 eV
minimum distance =  2.32561429671367 Angstroms
sigma value = 3


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

Energy: 2.1683397486775053
Energy: 1.29712047918229
Energy: 1.5274477923326133
Energy: 1.527260871642707
Energy: 1.526996905822958
Energy: 1.8680155767601128
Energy: 1.1691767425299053
Energy: 1.189739970136576
Energy: 1.4126841009115398
Energy: 1.4461531101429208
Energy: 1.4059255295989819
Energy: 1.4029827945861069
Energy: 1.435314793285721
Energy: 1.3041316867121218
Energy: 1.4044104885868143
Energy: 1.412613099629308
Energy: 1.4366152085073953
Energy: 1.5234768359089461
Energy: 1.4035057177772365
Energy: 1.3997500153684208
Energy: 1.523441714244763
Energy: 1.44649599636896
Energy: 1.3040631358042327
Energy: 1.4045635755747867
Energy: 1.408840379019082
Energy: 1.4047771780054297
Energy: 1.4042704538188735
Energy: 1.6309136550024947
Energy: 1.404039950378101
Energy: 1.3920582020597614
Energy: 1.5470539084512496
Energy: 1.5137336072332055
Energy: 1.5774141232160546
Energy: 1.3097564063775973
Energy: 1.3911444608698327
Energy: 1.5273310414926842
Energy: 1.6062204208986453
Energy: 1.4043999721635774
Energy: 1.4013550726056967
Energy: 1.1902210577449197
Energy: 1.4003237654472496
Energy: 1.4045356897220338
Energy: 1.607462439790186
Energy: 1.400582625681323
Energy: 1.1903661421062415
Energy: 1.190321381232617
Energy: 1.1903721142469874
Energy: 1.4044050686903145
Energy: 1.1898820572079845
Energy: 1.1859540054476867
Energy: 1.1855797379673028
Energy: 1.1861318283098765
Energy: 1.185443948313058
Energy: 1.8371875298643603
Energy: 1.5271151499608846
Energy: 1.3096023746536252
Energy: 1.1897005699441248
Energy: 1.189586970636349
Energy: 1.1894131515840174
Energy: 1.3096934225156738
Energy: 1.809917560833821
Energy: 1.5711998746189886
Energy: 1.1901343012150187
Energy: 1.1898579875112407
Energy: 1.5796778589149254
Energy: 1.7389380388702305
Energy: 1.189702011690581
Energy: 1.5668845173995138
Energy: 1.1873545100111496
Energy: 1.8901589221520854
Energy: 1.5272807626501999
Energy: 1.2793916000859313
Energy: 1.189708571724819
Energy: 1.189644016917738
Energy: 1.187629821389541
Energy: 1.8006191749942966
Energy: 1.191387851375154
Energy: 1.1902937617111775
Energy: 1.1902397994138638
Energy: 1.1856902340204944
Energy: 1.8420388633909683
Energy: 1.5462990280796003
Energy: 1.18563937805324
Energy: 1.1902333191638228
Energy: 1.1899081118245844
Energy: 1.1902533804326192
Energy: 1.5054427309554572
Energy: 1.6322326331018309
Energy: 1.1901270125690173
Energy: 1.19044001546129
Energy: 1.1902079065920002
Energy: 1.4385792137280191
Energy: 1.7572565979352972
Energy: 1.602638897671125
Energy: 1.741120034325718
Energy: 1.1904256233205963
Energy: 1.9933865017420371
Energy: 1.1873853399474132
Energy: 1.3926330825245699
Energy: 1.4680447537392847
Energy: 1.3912394999103672
Energy: 1.2042585264678904
Energy: 1.732382261182853
Energy: 1.192153733374593
Energy: 1.4168582360246147
Energy: 1.4164636356188127
Energy: 1.3970258534521596
Energy: 1.4413580630823892
Energy: 1.1903716603127548
Energy: 1.3043019216149303
Energy: 1.404548481197135
Energy: 1.408439463198904
Energy: 1.3911271307007491
Energy: 1.4091660390617227
Energy: 1.4097421893669602
Energy: 1.5073545012515925
Energy: 1.5052780015099254
Energy: 1.4461109522779643
Energy: 1.3039438322589074
Energy: 1.405776996526634
Energy: 1.4094668022315004
Energy: 1.4042355845838457
Energy: 1.304038030786329
Energy: 1.1909279691974246
Energy: 1.4042173999622776
Energy: 1.4045926526037875
Energy: 1.3928610673428883
Energy: 1.3918086694361331
Energy: 1.5609439439056667
Energy: 1.476264228387614
Energy: 1.3913948153919886
Energy: 1.3923779042334334
Energy: 1.3939016651267182
Energy: 1.4042704015300844
Energy: 1.472614874973744
Energy: 1.6784459883262726
Energy: 1.4728016235856156
Energy: 1.3920514085298925
Energy: 1.600205212170212
Energy: 1.7332338909585456
Energy: 1.1904416114756289
Energy: 1.1905765036305396
Energy: 1.19037532118538
Energy: 1.5936495104620418
Energy: 1.4219168051188378
Energy: 1.1855216116586278
Energy: 1.1902734224131317
Energy: 1.190005612919622
Energy: 1.189857268802092
Energy: 1.4354768423361728
Energy: 1.3092649108593482
Energy: 1.191230846287263
Energy: 1.1895573056334936
Energy: 1.1901066908786544
Energy: 1.1895822921016193
Energy: 1.1900608784795352
Energy: 1.7878577945098955
Energy: 1.5662756135330973
Energy: 1.189946553594698
Energy: 1.1897673850870338
Energy: 1.1898046907972948
Energy: 1.7418074109748192
Energy: 1.511365534340349
Energy: 1.5556558708474257
Energy: 1.1894911255030693
Energy: 1.5707165932774065
Energy: 1.5490306837275785
Energy: 1.3130581112116197
Energy: 1.1896115876162734
Energy: 1.1895009885172778
Energy: 1.8552116979169657
Energy: 1.1975303498789542
Energy: 1.5661335233515967
Energy: 1.1893857453823304
Energy: 1.19004934950248
Energy: 1.189893592246076
Energy: 1.1905635450190108
Energy: 1.5464008780457432
Energy: 1.1904826245235849
Energy: 1.1899614535044036
Energy: 1.1909726554033426
Energy: 1.1907500162103688
Energy: 1.4359736070207307
Energy: 1.603439256729075
Energy: 1.1856331823113506
Energy: 1.1903991719993228
Energy: 1.1901461946708098
Energy: 1.190347204455179
Energy: 1.7398098252515986
Energy: 1.743024154532674
Energy: 1.7244262692993177
Energy: 1.1901656019769278
Energy: 1.6696273660483019
Energy: 1.2786581647699993
Energy: 1.3916804165296757
Energy: 1.602635048720456
Energy: 1.396898273569254
Energy: 1.2893648899085712

minimum gb energy = 1.1691767425299053 eV
minimum distance =  2.30160631981244 Angstroms
sigma value = 67


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

Energy: 1.6773502847267368
Energy: 1.1882735782526073
Energy: 1.4730610074985826
Energy: 1.4731160043482021
Energy: 1.4735059480590482
Energy: 1.1889118875138025
Energy: 1.682810829648368
Energy: 1.4037108667366223
Energy: 1.4637714842732386
Energy: 1.4366285087774453
Energy: 1.4645307541035555
Energy: 1.4200894582721613
Energy: 1.427851757576883
Energy: 1.2192247879733022
Energy: 1.4639418429887219
Energy: 1.4320512902560958
Energy: 1.1364428969648503
Energy: 1.496488771819231
Energy: 1.4124699292589926
Energy: 1.411914049600299
Energy: 1.2049795579550928
Energy: 1.4093291026106265
Energy: 1.2049259479751135
Energy: 1.4112408812555108
Energy: 1.4150571294717933
Energy: 1.4116285292668083
Energy: 1.4646502456060517
Energy: 1.452756122201989
Energy: 1.4232364672908087
Energy: 1.3994187776473561
Energy: 1.5062392383289531
Energy: 1.4739233488838483
Energy: 1.4596467785030618
Energy: 1.4600200364956495
Energy: 1.39937375065939
Energy: 1.47381625740233
Energy: 1.6918611902622849
Energy: 1.411645542283658
Energy: 1.2065627867669346
Energy: 1.136342681605745
Energy: 1.4638359220413473
Energy: 1.4115996485146132
Energy: 1.690023469042094
Energy: 1.411281178387805
Energy: 1.1361682930173551
Energy: 1.1360507570034262
Energy: 1.136600447479498
Energy: 1.6773064034887062
Energy: 1.4763845556729638
Energy: 1.137789893503262
Energy: 1.1383040828057933
Energy: 1.1382763251390915
Energy: 1.1371911349205426
Energy: 1.8346881316086097
Energy: 1.701106367681185
Energy: 1.1383279070632777
Energy: 1.1363844464224335
Energy: 1.137854793578236
Energy: 1.1366102895480565
Energy: 1.397946305538546
Energy: 1.7011035382890622
Energy: 1.4599836677583908
Energy: 1.1368461691343668
Energy: 1.1372798384688667
Energy: 1.5106883110216984
Energy: 1.462022619210253
Energy: 1.4860205827720834
Energy: 1.4001617476520947
Energy: 1.1343473924991925
Energy: 1.636722332243319
Energy: 1.2029615951973711
Energy: 1.4764416424112397
Energy: 1.4345752472829207
Energy: 1.3997759934928429
Energy: 1.134253297117316
Energy: 1.638015338421727
Energy: 1.2030053792027093
Energy: 1.4155085229869395
Energy: 1.4306158206582584
Energy: 1.410609510864583
Energy: 1.4948852691630639
Energy: 1.4299911647048098
Energy: 1.4192082266903208
Energy: 1.4125750097411285
Energy: 1.435956154869345
Energy: 1.2041785729030374
Energy: 1.2086262934479994
Energy: 1.4161634011847128
Energy: 1.2096741510232834
Energy: 1.5005140761894853
Energy: 1.1371504801357926
Energy: 1.207020057809893
Energy: 1.4112737850943262
Energy: 1.4163057324926134
Energy: 1.4111824253147263
Energy: 1.4953031071221137
Energy: 1.7435173801239578
Energy: 1.477382524628449
Energy: 1.3995581339979113
Energy: 1.3996522385357832
Energy: 1.3998485935947764
Energy: 1.4089765354606842
Energy: 1.7438011694667963
Energy: 1.4674865136696915
Energy: 1.4672601438823654
Energy: 1.467761007895816
Energy: 1.4123192712194994
Energy: 1.1363044296156695
Energy: 1.1748147978601318
Energy: 1.13677082056764
Energy: 1.67735661388227
Energy: 1.6825104153922938
Energy: 1.462075452813141
Energy: 1.136573713601132
Energy: 1.1383484944492992
Energy: 1.1368003874294021
Energy: 1.495082923108882
Energy: 1.7288948816126084
Energy: 1.1367280733394896
Energy: 1.13619777517907
Energy: 1.1354153843189478
Energy: 1.1389102556615354
Energy: 1.1337349877597513
Energy: 1.6693476977020463
Energy: 1.1387774765137786
Energy: 1.1361529971207143
Energy: 1.1364390664955821
Energy: 1.1366233816068834
Energy: 1.465219978058074
Energy: 1.4164389452895623
Energy: 1.216798147675764
Energy: 1.1364373484703871
Energy: 1.682716254288246
Energy: 1.4068258216875285
Energy: 1.4640518319964009
Energy: 1.7679060119394996
Energy: 1.4647240790181753
Energy: 1.4648301992630957

minimum gb energy = 1.1337349877597513 eV
minimum distance =  2.26014095091268 Angstroms
sigma value = 33


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

Energy: 2.2437283513476434
Energy: 1.8677167791785707
Energy: 1.510187259524689
Energy: 1.5103497271953297
Energy: 1.5326614749097578
Energy: 1.9224451611812496
Energy: 1.2509442710789234
Energy: 1.5004640740897104
Energy: 1.5995914815943721
Energy: 1.5904495949753126
Energy: 1.5004456141530422
Energy: 1.573309263727887
Energy: 1.2482550852422134
Energy: 1.321439771538842
Energy: 1.6014306093063064
Energy: 1.4029752400095294
Energy: 1.503748464740114
Energy: 1.2484584737986124
Energy: 1.2488164585335293
Energy: 1.2440524866430713
Energy: 1.33508616242926
Energy: 1.5406990865887904
Energy: 1.082577139452207
Energy: 1.2442892321984358
Energy: 1.2491199146237484
Energy: 1.2446617774337672
Energy: 1.327763604814423
Energy: 1.569581409557402
Energy: 1.2442521225105434
Energy: 1.2367831337672952
Energy: 1.2268622861471543
Energy: 1.2270623841880588
Energy: 1.2507443455833864
Energy: 1.5744477080626316
Energy: 1.6965942395259768
Energy: 1.2271223853215678
Energy: 1.420438064115653
Energy: 1.2441031671646476
Energy: 1.2504710097082716
Energy: 1.2505211088339332
Energy: 1.325556206765473
Energy: 1.3973252183343698
Energy: 1.4111195948496909
Energy: 1.325398873115445
Energy: 1.2505321764227173
Energy: 1.2507346038732592
Energy: 1.2506696778907005
Energy: 1.3995736022187997
Energy: 1.585520660355122
Energy: 1.2443621595204535
Energy: 1.2439241197065103
Energy: 1.2437393239167072
Energy: 1.2437338636062234
Energy: 1.6149697970861805
Energy: 1.5823223206684205
Energy: 1.3093432828614289
Energy: 1.286719089234442
Energy: 1.2491628727982251
Energy: 1.2787170203826486
Energy: 1.499682936297028
Energy: 1.576843459185109
Energy: 1.581167832415683
Energy: 1.250580739676725
Energy: 1.2483234830489567
Energy: 1.3025198339418818
Energy: 1.5841000610848346
Energy: 1.5740085604796912
Energy: 1.5393427928244734
Energy: 1.0873478418895697
Energy: 1.4081083135155126
Energy: 1.6248045740660246
Energy: 1.5670359149781936
Energy: 1.5754251153163377
Energy: 1.5393973797153504
Energy: 1.0838227824594948
Energy: 1.408723509309003
Energy: 1.4829023604494727
Energy: 1.4347968586103528
Energy: 1.7460592595011994
Energy: 1.4685598561604947
Energy: 1.0863873690677184
Energy: 1.0827039061786068
Energy: 1.0863397659672052
Energy: 1.7495543993206246
Energy: 1.7517198512548022
Energy: 1.081792312775924
Energy: 1.0856053996574737
Energy: 1.081396753329107
Energy: 1.0816351608507768
Energy: 1.5222073513885788
Energy: 1.774586656037818
Energy: 1.083340480135814
Energy: 1.0834163595650745
Energy: 1.0827883112912502
Energy: 1.0833909577345584
Energy: 1.80254581258014
Energy: 1.5736486095490463
Energy: 1.368927830537921
Energy: 1.0824050404308487
Energy: 1.0823660412934994
Energy: 1.082360402381053
Energy: 1.5979913255962774
Energy: 1.5537055658922376
Energy: 1.5994244413590524
Energy: 1.461919422956136
Energy: 1.086324751537054
Energy: 1.3664508326362705
Energy: 1.572641243390823
Energy: 1.5182976540172624
Energy: 1.5407289567110278
Energy: 1.3919202442367145
Energy: 1.3957483441684029
Energy: 1.549562944436269
Energy: 1.518086488604611
Energy: 1.5893066039557953
Energy: 1.6000983914554634
Energy: 1.5000810149782104
Energy: 1.4149012502720855
Energy: 1.500239919717497
Energy: 1.528829759670263
Energy: 1.4113567046705824
Energy: 1.6005029679213048
Energy: 1.2505500381656565
Energy: 1.248178910680707
Energy: 1.166262444101988
Energy: 1.574108350800522
Energy: 1.5395939493619548
Energy: 1.3617887044710768
Energy: 1.2463372976865659
Energy: 1.247685683550568
Energy: 1.246357311202306
Energy: 1.614954201345841
Energy: 1.524684719694678
Energy: 1.243566379404963
Energy: 1.2440878799231043
Energy: 1.2489892828984157
Energy: 1.2459351381134527
Energy: 1.2437295661016448
Energy: 1.5880658183348184
Energy: 1.706640700845262
Energy: 1.2270686475047614
Energy: 1.226991131244613
Energy: 1.250942572605266
Energy: 1.8413145929288701
Energy: 1.2505367974650983
Energy: 1.2441519752477228
Energy: 1.2441315405939422
Energy: 1.4021977258143938
Energy: 1.2440144459042426
Energy: 1.2905030843329641
Energy: 1.2269189737086161
Energy: 1.2507979455868417
Energy: 1.0826523195281
Energy: 1.7523492274109675
Energy: 1.2505985693973931
Energy: 1.2511394814499783
Energy: 1.2501599192800612
Energy: 1.247377053318783
Energy: 1.3370458380100605
Energy: 1.5450538147337824
Energy: 1.2436927773723132
Energy: 1.2494639839405703
Energy: 1.24842479799168
Energy: 1.2862591496570595
Energy: 1.3075224187136874
Energy: 1.5724188732766275
Energy: 1.2783722790710064
Energy: 1.2443485736788107
Energy: 1.248321448579159
Energy: 1.1697269192822861
Energy: 1.5842200181383268
Energy: 1.5837168897972995
Energy: 1.581439099358605
Energy: 1.2508400934035058
Energy: 1.479979003501403
Energy: 1.079721009429594
Energy: 1.5769759847408478
Energy: 1.574114193426726
Energy: 1.5701113816295431
Energy: 1.2416504585016164
Energy: 1.3836006073053952
Energy: 1.4137910583708428
Energy: 1.7942205093377546
Energy: 1.5754197433971835
Energy: 1.5675787401196157
Energy: 1.4469934046584805
Energy: 1.0825420485875796
Energy: 1.0868315134079245
Energy: 1.583702447434859
Energy: 1.7456383868846252
Energy: 1.8426109867843508
Energy: 1.0863435047227434
Energy: 1.0880264897816745
Energy: 1.0821445496056166
Energy: 1.5313813664745974
Energy: 1.7336188957076675
Energy: 1.081513680294991
Energy: 1.0826950804618996
Energy: 1.0830733323126236
Energy: 1.083085661633884
Energy: 1.0835013216346852
Energy: 1.6795702366765792
Energy: 1.0832157425916331
Energy: 1.0835300227545996
Energy: 1.0826323072422899
Energy: 1.0825845447070845
Energy: 1.5302492023819245
Energy: 1.5945365353031509
Energy: 1.081451386138162
Energy: 1.0825697299625248
Energy: 1.0863507197006994
Energy: 1.4617092145614459
Energy: 1.5995343088570562
Energy: 1.5537124843664911
Energy: 1.4896149158640828
Energy: 1.086126556969303
Energy: 1.3982943787261306
Energy: 1.674124266514653
Energy: 1.5525255929045336
Energy: 1.5181260919750954
Energy: 1.5447994477239781
Energy: 1.6676773430067588

minimum gb energy = 1.079721009429594 eV
minimum distance =  2.25715693685871 Angstroms
sigma value = 41


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

Energy: 1.7626452818064635
Energy: 1.7389989590050468
Energy: 1.2274456020277873
Energy: 1.2286481118404178
Energy: 1.2279969492762477
Energy: 1.746394014996253
Energy: 1.5682818100512341
Energy: 0.9623761618340942
Energy: 0.9613159368733303
Energy: 1.232358276543494
Energy: 0.9512248269169743
Energy: 1.3011647831105428
Energy: 1.2339804366826093
Energy: 0.9627346723423458
Energy: 0.9615138162218647
Energy: 0.8792948832267263
Energy: 0.9521418004078807
Energy: 1.3009161114375827
Energy: 1.3267838761218418
Energy: 1.3252821925072766
Energy: 0.9615058849547354
Energy: 1.2337700673557002
Energy: 0.9623351411588941
Energy: 1.3240437779015555
Energy: 1.2325922048844542
Energy: 1.232739902688932
Energy: 1.3289079649915017
Energy: 1.230019895652459
Energy: 1.3288627257809846
Energy: 1.232749849515596
Energy: 1.2307516921009698
Energy: 1.2278427573926485
Energy: 1.6979237219914527
Energy: 1.3217789779092797
Energy: 1.6883883396479318
Energy: 1.2276720865398238
Energy: 1.5689639435363012
Energy: 1.3320516016397017
Energy: 1.3011538638218823
Energy: 1.2295818924245243
Energy: 1.331781331170293
Energy: 1.7306100537858335
Energy: 1.7229060225004298
Energy: 0.9629120128885496
Energy: 1.227521557267658
Energy: 1.2334358842470308
Energy: 0.9620243793700087
Energy: 1.7458910649206996
Energy: 1.22994649801602
Energy: 1.338037197710492
Energy: 0.9612935486596084
Energy: 0.8790389815255156
Energy: 0.9616313468710475
Energy: 1.3010271686662571
Energy: 1.2462302054986674
Energy: 0.9616287518504488
Energy: 0.961650487642739
Energy: 1.246274839474028
Energy: 0.962116310335091
Energy: 1.3130470072665308
Energy: 1.3088871219799245
Energy: 1.3220392336205036
Energy: 0.9618732791104335
Energy: 1.3010306189964773
Energy: 0.9546554499015089
Energy: 1.323937423138286
Energy: 1.2277054376376724
Energy: 1.2270439335339407
Energy: 0.962279439612588
Energy: 1.3074420103478266
Energy: 1.227283938538331
Energy: 1.2327589900273626
Energy: 1.2289299556199818
Energy: 1.22728677513821
Energy: 0.9609914653554786
Energy: 1.2299662154524722
Energy: 1.2327195624452483
Energy: 1.2269981312112515
Energy: 1.7245143197713115
Energy: 1.3237310483322011
Energy: 1.2295658365828335
Energy: 1.2297828418143053
Energy: 1.230210661961633
Energy: 1.745720849429253

minimum gb energy = 0.8790389815255156 eV
minimum distance =  2.27797921538709 Angstroms
sigma value = 11


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

Energy: 1.8046792338203024
Energy: 1.8992951579312642
Energy: 1.4675247111336385
Energy: 1.4005195204890544
Energy: 1.4827443653585592
Energy: 1.9351395710755626
Energy: 1.213533141213362
Energy: 1.460497598007895
Energy: 1.5665305476362918
Energy: 1.51666650479118
Energy: 1.3530175062571994
Energy: 1.2414019313995088
Energy: 1.2179455893111735
Energy: 1.2124707119153504
Energy: 1.454933991834684
Energy: 1.5744447584911538
Energy: 1.4631804972589006
Energy: 1.2177092108228034
Energy: 1.2082477471126551
Energy: 1.2045924341513268
Energy: 1.2046968203557875
Energy: 1.4683501042645168
Energy: 1.2047361516415191
Energy: 1.2369032064267411
Energy: 1.2122522311725825
Energy: 1.2362146318276628
Energy: 1.2350620737090965
Energy: 1.5170621957062922
Energy: 1.2356541582626444
Energy: 1.2123562176703349
Energy: 1.2249097560084266
Energy: 1.2270859216528047
Energy: 1.7739818956858449
Energy: 1.5163853131210137
Energy: 1.774085197607603
Energy: 1.2247058396625052
Energy: 1.450290066064752
Energy: 1.4416877342578822
Energy: 1.442904899479338
Energy: 1.4427056486582115
Energy: 1.4796757087306602
Energy: 1.3441526649769846
Energy: 1.4501591307986277
Energy: 1.4311136900625754
Energy: 1.4671878091589194
Energy: 1.5436738781318704
Energy: 1.3055905733666453
Energy: 1.7495303587266138
Energy: 1.3153658430776938
Energy: 1.3474856540987388
Energy: 1.5025621307056745
Energy: 1.6724592880525238
Energy: 1.4530348228632868
Energy: 1.3159218426970498
Energy: 1.277635157982423
Energy: 1.277212518186659
Energy: 1.4651627452082254
Energy: 1.6724323134158763
Energy: 1.2365182267416994
Energy: 1.2770796189869207
Energy: 1.3647892315913983
Energy: 1.4303698826070774
Energy: 1.290525816768979
Energy: 1.4016894652159047
Energy: 1.4625046003042899
Energy: 1.3932836904901849
Energy: 1.3646996762129082
Energy: 1.2915276799145714
Energy: 1.4299561129306702
Energy: 1.3645039283881342
Energy: 1.4304680343204859
Energy: 1.2791895187628615
Energy: 1.3854571061048757
Energy: 1.4316260884419776
Energy: 1.2790994496355739
Energy: 1.2887076536628888
Energy: 1.4306808303474756
Energy: 1.2768172522952568
Energy: 1.500048196385837
Energy: 1.2771648789740127
Energy: 1.3030003682511773
Energy: 1.3027403904932906
Energy: 1.30273977493953
Energy: 1.4629693650507918
Energy: 1.4528778713533272
Energy: 1.352992712863536
Energy: 1.2771135607891817
Energy: 1.302630386380077
Energy: 1.2771791816112708
Energy: 1.5167833767993648
Energy: 1.4032019231955748
Energy: 1.4882708226929307
Energy: 1.2919322672625246
Energy: 1.9370388001339731
Energy: 1.3296463483829168
Energy: 1.5211577629360422
Energy: 1.516568378812953
Energy: 1.3706399048374427
Energy: 1.4665039518970515
Energy: 1.2144604509111032
Energy: 1.3574501916826005
Energy: 1.5028145192422073
Energy: 1.5641967114682318
Energy: 1.462803775724599
Energy: 1.2246760642342058
Energy: 1.2174749916792722
Energy: 1.4531502787098962
Energy: 1.5889109227273164
Energy: 1.5166983281238746
Energy: 1.2192365431113263
Energy: 1.2085936066248897
Energy: 1.2081226231472137
Energy: 1.2347516161789824
Energy: 1.351207725470303
Energy: 1.517157849935921
Energy: 1.2361535406558213
Energy: 1.2127032954056796
Energy: 1.2128466850004356
Energy: 1.2361749588396622
Energy: 1.3520424862840308
Energy: 1.5166468080466011
Energy: 1.7734035778995234
Energy: 1.2270396165540904
Energy: 1.2246433430094068
Energy: 1.4531686030406883
Energy: 1.7735483782682682
Energy: 1.5168655421421724
Energy: 1.4795310571492384
Energy: 1.4417087519719245
Energy: 1.5318733676745389
Energy: 1.4664731374432076
Energy: 1.5026465590230118
Energy: 1.5431766562749687
Energy: 1.417871391746379
Energy: 1.7648935430915726
Energy: 1.4995446705939879
Energy: 1.514470887958612
Energy: 1.541698853926565
Energy: 1.6725694249464418
Energy: 1.4595412380870998
Energy: 1.347065548050368
Energy: 1.2247170385992714
Energy: 1.277245043975497
Energy: 1.5246236857972713
Energy: 1.6724922299560994
Energy: 1.4556575615599723
Energy: 1.2771659247230616
Energy: 1.2775708407262771
Energy: 1.277577663743476
Energy: 1.6724443858016338
Energy: 1.3852056820931862
Energy: 1.4606378761884806
Energy: 1.3932798781317122
Energy: 1.3643979582870238
Energy: 1.430390386514728
Energy: 1.4015857142419148
Energy: 1.3648581773803303
Energy: 1.4306296830731309
Energy: 1.2792394412600279
Energy: 1.3644360042322274
Energy: 1.3084285112213083
Energy: 1.3934937434036963
Energy: 1.2886461321600995
Energy: 1.4274819058121206
Energy: 1.2904860897949935
Energy: 1.4016555571240197
Energy: 1.4308369464805268
Energy: 1.3934105859655845
Energy: 1.2768814899766479
Energy: 1.2771116331669525
Energy: 1.2770663647437477
Energy: 1.5133382834466345
Energy: 1.2769329409515267
Energy: 1.2770407167893212
Energy: 1.3027886429437836
Energy: 1.2771095019431187
Energy: 1.697907155263159
Energy: 1.4530577913197047
Energy: 1.4605364762515554
Energy: 1.3155401295728446
Energy: 1.67127368567524
Energy: 1.5847932276216594
Energy: 1.5418036554908487
Energy: 1.5406525626115233
Energy: 1.4194005815823434
Energy: 1.501835755612635

minimum gb energy = 1.2045924341513268 eV
minimum distance =  2.28532596309769 Angstroms
sigma value = 57


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

Energy: 2.1352328930963456
Energy: 1.360288332080039
Energy: 1.5187111594385108
Energy: 1.373757034681503
Energy: 1.5188565441868953
Energy: 1.9497165398550098
Energy: 1.3511618140846995
Energy: 1.408141718978703
Energy: 1.4020419677671034
Energy: 1.3326943849642625
Energy: 1.4574488249657587
Energy: 1.405789144993884
Energy: 1.3254299371423615
Energy: 1.396880432437818
Energy: 1.3953847673260404
Energy: 1.3227021949149786
Energy: 1.3969919521563317
Energy: 1.5176831693231458
Energy: 1.322792979152912
Energy: 1.352184606063046
Energy: 1.391423444908648
Energy: 1.3331382668020046
Energy: 1.3946635394422247
Energy: 1.3531442197648782
Energy: 1.32571430582922
Energy: 1.352476588229745
Energy: 1.4520852423379005
Energy: 1.3327126771052678
Energy: 1.394815717663045
Energy: 1.3535664032324752
Energy: 1.3284434318320362
Energy: 1.403570059290644
Energy: 1.4035831191167936
Energy: 1.3808948556857712
Energy: 1.6712161708598807
Energy: 1.329088305853839
Energy: 1.37936381036529
Energy: 1.3971336126323042
Energy: 1.3739809260085198
Energy: 1.3813205871002985
Energy: 1.3742200550458192
Energy: 1.406106502732545
Energy: 1.519552022351936
Energy: 1.3943017844616719
Energy: 1.4305461533147632
Energy: 1.3348810083534546
Energy: 1.387797540388669
Energy: 1.452087264399284
Energy: 1.3289787516252065
Energy: 1.3291019983148624
Energy: 1.4418612293790767
Energy: 1.3644804757896947
Energy: 1.6710661711591426
Energy: 1.3290306842671917
Energy: 1.3329980068712406
Energy: 1.3356472395486316
Energy: 1.442224335246735
Energy: 1.3285207703445217
Energy: 1.401636323617976
Energy: 1.3327732462184019
Energy: 1.3105834366537017
Energy: 1.396986612384055
Energy: 1.4680381188886635
Energy: 1.3286280719715562
Energy: 1.4581422614784731
Energy: 1.452443900868764
Energy: 1.3101779199879426
Energy: 1.4571579166527842
Energy: 1.3519928869576943
Energy: 1.3267313923412367
Energy: 1.3518894380632822
Energy: 1.4061847924989639
Energy: 1.332845851512799
Energy: 1.4016587810489751
Energy: 1.3897787557710384
Energy: 1.3215910482889792
Energy: 1.394378133497152
Energy: 1.3328392216545188
Energy: 1.380799013601166
Energy: 1.4063325807997078
Energy: 1.354026686915676
Energy: 1.328881089071762
Energy: 1.412842687436684
Energy: 1.6709546193822353
Energy: 1.3806480728949153
Energy: 1.381106624025237
Energy: 1.4176448140767788
Energy: 1.3874909077110527
Energy: 1.4084411387683908
Energy: 1.3816209882855852
Energy: 1.5181662728445326
Energy: 1.5133198959668326
Energy: 1.542600753806138
Energy: 1.654970525344183
Energy: 1.3735250708063538
Energy: 1.518609181377629
Energy: 1.351296692136075
Energy: 1.3810879995685328
Energy: 1.406191604190737
Energy: 1.3875286835767162
Energy: 1.4076652369003038
Energy: 1.3815833277046752

minimum gb energy = 1.3101779199879426 eV
minimum distance =  2.28501419114939 Angstroms
sigma value = 9


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

Energy: 2.2594738154761593
Energy: 1.291417636805757
Energy: 1.3890478613499706
Energy: 1.389031177140045
Energy: 1.3896306571486485
Energy: 1.4044323231147215
Energy: 1.584661113427913
Energy: 1.4702503394058042
Energy: 1.471809541345516
Energy: 1.493673476336286
Energy: 1.472705073892863
Energy: 1.4929533810747961
Energy: 1.380876451743528
Energy: 1.3610802905321995
Energy: 1.488771152143727
Energy: 1.4869014429106804
Energy: 1.4113013281660203
Energy: 1.360341426450479
Energy: 1.3831333142963504
Energy: 1.4160457687084689
Energy: 1.4127325003261784
Energy: 1.3266172541268575
Energy: 1.5432913340340983
Energy: 1.4162721743963347
Energy: 1.420758050858896
Energy: 1.4636285601361616
Energy: 1.516178336364862
Energy: 1.3829816873848342
Energy: 1.5163410271290974
Energy: 1.463936999446488
Energy: 1.3266150665748662
Energy: 1.4989718122547158
Energy: 1.4629148272406742
Energy: 1.3902210884852766
Energy: 1.4636176769512546
Energy: 1.4937118607633484
Energy: 1.492297434857035
Energy: 1.4182676871119813
Energy: 1.417871786783455
Energy: 1.3818715439358942
Energy: 1.4180178762777715
Energy: 1.536784261431022
Energy: 1.4921809469833247
Energy: 1.470001837210591
Energy: 1.3605117443722659
Energy: 1.327527491424985
Energy: 1.4644324523910484
Energy: 1.469862390296452
Energy: 1.4946653418497684
Energy: 1.4915156543862862
Energy: 1.537134893774255
Energy: 1.5149549547785484
Energy: 1.469657698651249
Energy: 1.4922636356526957
Energy: 1.4393434457932837
Energy: 1.5299128166799953
Energy: 1.5365849015875284
Energy: 1.51121786080313
Energy: 1.4111819849131697
Energy: 1.53001709202749
Energy: 1.584822686579574
Energy: 1.4699183677326726
Energy: 1.3274387088573365
Energy: 1.3269827437524864
Energy: 1.3277169097538901
Energy: 1.390023372075049
Energy: 1.58462493037102
Energy: 1.4727766993289941
Energy: 1.3883301177151095
Energy: 1.3847524310268846
Energy: 1.4702838864479517
Energy: 1.487329946626673
Energy: 1.3270418472767573
Energy: 1.502326024253778
Energy: 1.470950892158154
Energy: 1.389996625308348
Energy: 1.469591148652709
Energy: 1.5843009270458812
Energy: 1.3847719069820679
Energy: 1.4157203703512142
Energy: 1.54422619184745
Energy: 1.3897693360580237
Energy: 1.5436232258776337
Energy: 1.4163529522718978
Energy: 1.3875279344367641
Energy: 1.463927651681523
Energy: 1.3825706535669642
Energy: 1.3272924410705924
Energy: 1.5165965559931363
Energy: 1.4630442539008266
Energy: 1.3835068282287242
Energy: 1.458059490644777
Energy: 1.4626522062205811
Energy: 1.442198443643458
Energy: 1.4640919925190339
Energy: 1.3830827707658924
Energy: 1.4929996018856213
Energy: 1.5443502487649883
Energy: 1.4184231668457052
Energy: 1.3837454584692446
Energy: 1.4180759506487244
Energy: 1.4113700109845608
Energy: 1.4936201865359975
Energy: 1.4698524202898282
Energy: 1.3605085702778863
Energy: 1.327169911661726
Energy: 1.3608958021097084
Energy: 1.4113484744136164
Energy: 1.4929693112823963
Energy: 1.4929054611856996
Energy: 1.4721259833149274
Energy: 1.4208661484727743
Energy: 1.4727242834058365
Energy: 1.4925154635701627
Energy: 1.458762830532497
Energy: 1.459312338798193
Energy: 1.4593680303275014
Energy: 1.4651017330999832
Energy: 1.5533054468070873
Energy: 1.460135906455206
Energy: 1.5846903666803935
Energy: 1.5363399458005293
Energy: 1.4642457557325272
Energy: 1.5295022617879594
Energy: 1.4728227039644575
Energy: 1.3876673438915208

minimum gb energy = 1.291417636805757 eV
minimum distance =  2.29005519083623 Angstroms
sigma value = 27


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

Energy: 1.633533373513564
Energy: 1.3627358834832106
Energy: 1.4153327215670186
Energy: 1.414955048180903
Energy: 1.4148615284612611
Energy: 1.3628638278252032
Energy: 1.529175438084558
Energy: 1.4689197623170265
Energy: 1.4086955274965887
Energy: 1.417040230793406
Energy: 1.4689820449310569
Energy: 1.4106120813359222
Energy: 1.383082460353099
Energy: 1.3494502835134745
Energy: 1.563125116931294
Energy: 1.5631766610542541
Energy: 1.4684832351226444
Energy: 1.3491307606286471
Energy: 1.405977369694905
Energy: 1.3497110393823872
Energy: 1.477055866578279
Energy: 1.3741818395101542
Energy: 1.519816601186291
Energy: 1.3484960369697292
Energy: 1.404116411608992
Energy: 1.5194889509022307
Energy: 1.5299978286760019
Energy: 1.4178575443688533
Energy: 1.4749873891778489
Energy: 1.5192739568356126
Energy: 1.3438813530123983
Energy: 1.5771561921912196
Energy: 1.4342087199785467
Energy: 1.40512575384303
Energy: 1.434597638700337
Energy: 1.3087760501932355
Energy: 1.3301246497585906
Energy: 1.569547261874091
Energy: 1.4395708141535792
Energy: 1.440879936989494
Energy: 1.4741417179312986
Energy: 1.5747996520257885
Energy: 1.4130098124216697
Energy: 1.5452491637467904
Energy: 1.4988368220474313
Energy: 1.4313479631154697
Energy: 1.557667985645785
Energy: 1.5450088558898285
Energy: 1.334338311101447
Energy: 1.3747778417496614
Energy: 1.3750544682892136
Energy: 1.5657207701541864
Energy: 1.3744134699177417
Energy: 1.3749273599897525
Energy: 1.2888490707249138
Energy: 1.405649380903221
Energy: 1.4184247228174693
Energy: 1.425987828383759
Energy: 1.418200972769643
Energy: 1.4055200710155864
Energy: 1.5591694000077354
Energy: 1.5541513627631292
Energy: 1.4815946940389093
Energy: 1.551492867786222
Energy: 1.3793818445143042
Energy: 1.4252119394304792
Energy: 1.5100456590318068
Energy: 1.5544512676873414
Energy: 1.4048628042533708
Energy: 1.5520209424021671
Energy: 1.6301760077896394
Energy: 1.2814705585883834
Energy: 1.2905654368717687
Energy: 1.2900597331866754
Energy: 1.2817047543124664
Energy: 1.460893396281103
Energy: 1.4056361542048108
Energy: 1.2901582280684902
Energy: 1.2885764106377897
Energy: 1.3233756805201884
Energy: 1.528404827883017
Energy: 1.5444532413305387
Energy: 1.2806738725918072
Energy: 1.3230952498246689
Energy: 1.3589062545351493
Energy: 1.6173885833645545
Energy: 1.420054185515728
Energy: 1.4375332582390503
Energy: 1.4201095744691126
Energy: 1.5652388582544252
Energy: 1.358246043290884
Energy: 1.4114329325148274
Energy: 1.394438313852036
Energy: 1.4517005494993818
Energy: 1.373345852627147
Energy: 1.2809004644966209
Energy: 1.3616624036900102
Energy: 1.4188600440495016
Energy: 1.4583627536673551
Energy: 1.4043499186870574
Energy: 1.4917641867501337
Energy: 1.417988300250413
Energy: 1.3997832317834853
Energy: 1.4519340787309685
Energy: 1.5571675491679333
Energy: 1.450853284176201
Energy: 1.510513219691461
Energy: 1.450886315943904
Energy: 1.3959167837957638
Energy: 1.45325875853347
Energy: 1.5913619128728413
Energy: 1.4061470486291356
Energy: 1.5954051512636065
Energy: 1.441919013539344
Energy: 1.4056478035846576
Energy: 1.494782113470534
Energy: 1.5278166048538253
Energy: 1.5390348126199687
Energy: 1.5365310136100354
Energy: 1.4898631294760027
Energy: 1.5211786658513033
Energy: 1.4066282320012455
Energy: 1.353437298334719
Energy: 1.4165213002138681
Energy: 1.4069219528069021
Energy: 1.4689090718454596
Energy: 1.433723743393579
Energy: 1.5436044261536168
Energy: 1.3566480981023818
Energy: 1.3565066804473749
Energy: 1.473841897883895
Energy: 1.469218262198817
Energy: 1.4977868628659805
Energy: 1.4625285609356673
Energy: 1.4689999431558025
Energy: 1.510038368533844
Energy: 1.5056477779605788
Energy: 1.3818662957298409
Energy: 1.497903354156281
Energy: 1.50421669750752
Energy: 1.4256843553546261
Energy: 1.510384771456955
Energy: 1.4825600695670886
Energy: 1.4624387022447913
Energy: 1.5067936519466403
Energy: 1.4691039861146906
Energy: 1.4876528474126183
Energy: 1.408404521578663
Energy: 1.4945923150782345
Energy: 1.5639825039231048

minimum gb energy = 1.2806738725918072 eV
minimum distance =  2.26554802104292 Angstroms
sigma value = 19


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

Energy: 1.5670739494956862
Energy: 1.2534422440968025
Energy: 1.3397909720476469
Energy: 1.3394503696175446
Energy: 1.3394266841464755
Energy: 1.2534506564213235
Energy: 1.4505223759211467
Energy: 1.4354729715628847
Energy: 1.312314284354881
Energy: 1.384524461583445
Energy: 1.4353458209332546
Energy: 1.3127054868970838
Energy: 1.2970478880472944
Energy: 1.2971852459338549
Energy: 1.566970973058665
Energy: 1.5674856100744194
Energy: 1.296702326714285
Energy: 1.296845067679053
Energy: 1.295373601605713
Energy: 1.2966942318520043
Energy: 1.312359502855971
Energy: 1.3913975460732273
Energy: 1.529336554089052
Energy: 1.2963776020725957
Energy: 1.3401827137390534
Energy: 1.4228536268769707
Energy: 1.3765400724869767
Energy: 1.3336107164742428
Energy: 1.3778721702874452
Energy: 1.5012500340353954
Energy: 1.2616584201640786
Energy: 1.5080287762542703
Energy: 1.376110193253964
Energy: 1.3289455102251861
Energy: 1.3769353378820253
Energy: 1.2617472077885166
Energy: 1.32716283928522
Energy: 1.4185072308690994
Energy: 1.4185161128806003
Energy: 1.418521423496484
Energy: 1.4185262077045455
Energy: 1.4679381705497818
Energy: 1.3274434161209845
Energy: 1.418537816294938
Energy: 1.2619839336573277
Energy: 1.2618635260008264
Energy: 1.490099461887162
Energy: 1.3947315330061574
Energy: 1.3325567334586133
Energy: 1.3762072877411122
Energy: 1.4242035691829664
Energy: 1.2617776337603022
Energy: 1.379999755305883
Energy: 1.3764418151644657
Energy: 1.311971264943825
Energy: 1.4302594571040508
Energy: 1.501060297307867
Energy: 1.3325663007736082
Energy: 1.5012809937307152
Energy: 1.3125560980284425
Energy: 1.3664322177399086
Energy: 1.2971034389881817
Energy: 1.2967855552573235
Energy: 1.297099797419678
Energy: 1.2966274565971128
Energy: 1.2970096846950592
Energy: 1.3119761871925324
Energy: 1.435228027587708
Energy: 1.384527389468041
Energy: 1.2954438140207643
Energy: 1.3846447714764976
Energy: 1.4353559595575998
Energy: 1.3988908727591824
Energy: 1.3989652809198512
Energy: 1.4322951889785331
Energy: 1.4717123557778593
Energy: 1.3124128848561931
Energy: 1.4018466697216205
Energy: 1.4308613509746237
Energy: 1.2688772958469334
Energy: 1.639764142402407
Energy: 1.4712540840725057
Energy: 1.4356214164322645
Energy: 1.3457712797169594
Energy: 1.3893049203520196
Energy: 1.3124704500192383
Energy: 1.2592925842874398
Energy: 1.3234166865401744
Energy: 1.2966487182015927
Energy: 1.2463150192659012
Energy: 1.3295750302941365
Energy: 1.6394881661869682
Energy: 1.312271434878181
Energy: 1.384449492494251
Energy: 1.3122137564109495
Energy: 1.5671714804724821
Energy: 1.2913527632595103
Energy: 1.3844515631632148
Energy: 1.5672829791601675
Energy: 1.246396420852383
Energy: 1.4355744020696526
Energy: 1.2969656971753944
Energy: 1.2955366863542321
Energy: 1.296749715513069
Energy: 1.5351421811407922
Energy: 1.391167294453231
Energy: 1.297235121230476
Energy: 1.2972177252564625
Energy: 1.33998931693066
Energy: 1.4234330880360198
Energy: 1.4305021379625236
Energy: 1.3278156867892976
Energy: 1.4305399129554905
Energy: 1.5014936122274587
Energy: 1.2619525630200912
Energy: 1.4760463671644268
Energy: 1.3767456174547243
Energy: 1.32352298577432
Energy: 1.3771063184635837
Energy: 1.4001887261946018
Energy: 1.327958838851141
Energy: 1.4984110058877353
Energy: 1.4184790713724698
Energy: 1.3943063879120925
Energy: 1.418614754068527
Energy: 1.4987396297506332
Energy: 1.3267218943040544
Energy: 1.418371728786034
Energy: 1.4958049669006142
Energy: 1.3284840179553292
Energy: 1.472649139457436
Energy: 1.4187119272626472
Energy: 1.3237147884662002
Energy: 1.3761540827883891
Energy: 1.3942770720716307
Energy: 1.3324467782538718
Energy: 1.3797620718678592
Energy: 1.3763871976751265
Energy: 1.3324216020861404
Energy: 1.43008085668127
Energy: 1.5016103465958057
Energy: 1.2617688988562044
Energy: 1.5010778440986579
Energy: 1.4302698938335432
Energy: 1.3120522368630572
Energy: 1.2618094191175224
Energy: 1.2968838413016883
Energy: 1.2958734585476133
Energy: 1.2968602906133673
Energy: 1.5357128877998047
Energy: 1.3663286073364034
Energy: 1.4353637641644834
Energy: 1.2960999912904392
Energy: 1.2886696740774573
Energy: 1.384479064054953
Energy: 1.4353004806900813
Energy: 1.4281574637968155
Energy: 1.3060004424469882
Energy: 1.4355086012087357
Energy: 1.497508304063348
Energy: 1.4356269258205185
Energy: 1.4427254476452593
Energy: 1.4306918321152802
Energy: 1.351420976336099
Energy: 1.4323444955549556
Energy: 1.4976867820516728
Energy: 1.3122909006431664
Energy: 1.4106087541102572
Energy: 1.3891911049322392
Energy: 1.4353598952359674
Energy: 1.3848249768874048
Energy: 1.3233305250722873
Energy: 1.384240767356718
Energy: 1.5669532294242752

minimum gb energy = 1.2463150192659012 eV
minimum distance =  2.26535725897189 Angstroms
sigma value = 101


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

Energy: 1.5237057220499575
Energy: 1.225847389816545
Energy: 1.3081198180933715
Energy: 1.3775110301176843
Energy: 1.3082446516545023
Energy: 1.5749734454634046
Energy: 1.3622044313786188
Energy: 1.414950801040732
Energy: 1.2276779720275386
Energy: 1.2985677042460064
Energy: 1.4149307297097289
Energy: 1.2276425060909284
Energy: 1.2195451630603842
Energy: 1.2200641723401262
Energy: 1.5627488971713375
Energy: 1.5636259269140043
Energy: 1.2200267808926293
Energy: 1.2200483762675893
Energy: 1.2200804609604363
Energy: 1.2199140044871344
Energy: 1.2282041556479946
Energy: 1.2981173039341438
Energy: 1.3438719433101516
Energy: 1.219777898053574
Energy: 1.210187509895136
Energy: 1.3440066261431876
Energy: 1.2926687544928757
Energy: 1.2419705282320188
Energy: 1.2926512254890588
Energy: 1.4196383795977507
Energy: 1.2821387483903735
Energy: 1.439377529094946
Energy: 1.2374127721212083
Energy: 1.2380367788744766
Energy: 1.2938425909257334
Energy: 1.2194315240095295
Energy: 1.2554204317755602
Energy: 1.4072173677382418
Energy: 1.402060922742983
Energy: 1.404441624256196
Energy: 1.4180383565278862
Energy: 1.3946524821802266
Energy: 1.2558672997175737
Energy: 1.3726091105103495
Energy: 1.214619456589033
Energy: 1.214737007848204
Energy: 1.4454793309459146
Energy: 1.2557735701712407
Energy: 1.293257301450476
Energy: 1.3747027337881739
Energy: 1.4200290266400573
Energy: 1.2374998771958037
Energy: 1.4179928208494639
Energy: 1.3776429450191527
Energy: 1.3018583593570763
Energy: 1.4420708533864612
Energy: 1.3722420232927284
Energy: 1.2375193939048938
Energy: 1.3999223437704384
Energy: 1.2200193918275333
Energy: 1.2822644496545366
Energy: 1.2926183768223176
Energy: 1.2939268440929677
Energy: 1.2922014674494922
Energy: 1.2938484218077093
Energy: 1.3444238961849564
Energy: 1.2821047324246775
Energy: 1.4932705565950815
Energy: 1.2295638668549402
Energy: 1.2290356204412587
Energy: 1.2287588408937642
Energy: 1.2199536165338252
Energy: 1.2867937085380916
Energy: 1.220033046681011
Energy: 1.2199191347321525
Energy: 1.278119497726458
Energy: 1.2199844540182263
Energy: 1.2198545509973215
Energy: 1.2624154333301818
Energy: 1.3020584768152756
Energy: 1.5085439429622158
Energy: 1.2782454477913474
Energy: 1.2197721041078697
Energy: 1.3022094885913669
Energy: 1.3908446660325922
Energy: 1.2277346362028354
Energy: 1.3649216302174834
Energy: 1.3652076871966887
Energy: 1.3651284439135967
Energy: 1.4129132399006683
Energy: 1.4277506448653081
Energy: 1.628883543128733
Energy: 1.2997984378547123
Energy: 1.3909490611123578
Energy: 1.2282494153094148
Energy: 1.425330804564667
Energy: 1.3905002106725188
Energy: 1.218765452421027
Energy: 1.2217123264337657
Energy: 1.5252712283486638
Energy: 1.3024813404596602
Energy: 1.2183988494070948
Energy: 1.2981699602613315
Energy: 1.2278163982263528
Energy: 1.4148280681298095
Energy: 1.3630844441550318
Energy: 1.4147097425804749
Energy: 1.2966339808622696
Energy: 1.3485644202503977
Energy: 1.4143851871835826
Energy: 1.2202330926872478
Energy: 1.2195902540131685
Energy: 1.2202440162281536
Energy: 1.5631534932197733
Energy: 1.3491205452993957
Energy: 1.4921016921342989
Energy: 1.219895015432839
Energy: 1.2201429232036478
Energy: 1.2198769403851948
Energy: 1.2278536067382901
Energy: 1.2387687278597281
Energy: 1.2923129573444903
Energy: 1.4932268950042704
Energy: 1.4197752976764602
Energy: 1.3443356364321677
Energy: 1.3343861387178904
Energy: 1.240292386016782
Energy: 1.2927780394351738
Energy: 1.2199613967687406
Energy: 1.2200760293048334
Energy: 1.2923946965914908
Energy: 1.2924958276502108
Energy: 1.2375761024950558
Energy: 1.4013072855414541
Energy: 1.4431946012726682
Energy: 1.2560741835886842
Energy: 1.4205272927103343
Energy: 1.4040762014709902
Energy: 1.2375883914105128
Energy: 1.4639052390714615
Energy: 1.374674165131294
Energy: 1.2558056790881338
Energy: 1.3728604123822328
Energy: 1.3413495041877082
Energy: 1.2376432241981281
Energy: 1.414306654732008
Energy: 1.375383331770527
Energy: 1.3391801344485785
Energy: 1.3937328397209716
Energy: 1.467459494786701
Energy: 1.2374680929901687
Energy: 1.4017640337556112
Energy: 1.4417291319146865
Energy: 1.2555728263134678
Energy: 1.439313284100637
Energy: 1.4044994967012938
Energy: 1.2404714445690246
Energy: 1.2937151977980663
Energy: 1.3646911642905066
Energy: 1.2825072651414804
Energy: 1.31880314158795
Energy: 1.2938954521357509
Energy: 1.2409321694133228
Energy: 1.2294690239400223
Energy: 1.4933346189441759
Energy: 1.2824655852420994
Energy: 1.492748102989186
Energy: 1.2290513894865052
Energy: 1.2780328598982027
Energy: 1.219918643571794
Energy: 1.2197166318199877
Energy: 1.2827263586885795
Energy: 1.2203241141072947
Energy: 1.5032328938630328
Energy: 1.2782115673844592
Energy: 1.4148110493308212
Energy: 1.3020865810828353
Energy: 1.2197971370251157
Energy: 1.3019322342144308
Energy: 1.2200143768261285
Energy: 1.3893909210496365
Energy: 1.2251441337595481
Energy: 1.4145516138365068
Energy: 1.4511990845416443
Energy: 1.2278864680388275
Energy: 1.2287928428475237
Energy: 1.3908174534101194
Energy: 1.2995865287495418
Energy: 1.414666825775195
Energy: 1.4275212218488138
Energy: 1.2285627763278102
Energy: 1.302256229091482
Energy: 1.3480755662967934
Energy: 1.4146376662516376
Energy: 1.299757638405022
Energy: 1.3904284508579174
Energy: 1.3019669694575815
Energy: 1.2217612564608022

minimum gb energy = 1.210187509895136 eV
minimum distance =  2.28312080132255 Angstroms
sigma value = 33


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

Energy: 0.005358238838037478
Energy: 0.005446713328286241
Energy: 0.07910876598891352
Energy: 0.07903119958909295
Energy: 0.07910418005138277
Energy: 0.005647278375838501
Energy: 0.005530359791333015
Energy: 0.07943426128253206
Energy: 0.07954743368434614
Energy: 0.07939292419295661
Energy: 0.07937998093512837
Energy: 0.0796022297267431
Energy: 0.8616933816402101
Energy: 0.07907730596308286
Energy: 0.005708795506793238
Energy: 0.005472807704211983
Energy: 0.07952569330484321
Energy: 0.07904537053535705
Energy: 0.07963380007496769
Energy: 0.07943426128323079
Energy: 0.07954743368434614
Energy: 0.07939292419295661
Energy: 0.07937998093512837
Energy: 0.079602229727432

minimum gb energy = 0.005358238838037478 eV
minimum distance =  2.45042431905589 Angstroms
sigma value = 1