Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003_Fe__MO_807997826449_000
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=2.855324894189835
cohesive_energy=4.1227593179916635
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.3390607784579838e-19, 2.2042425695245197e-19, 2.91573716915124e-19, 3.54379040967924e-19, 4.05180857678796e-19, 4.455653219154e-19, 4.77759459198996e-19, 5.04128082241368e-19, 5.267876663760299e-19, 5.469991246139399e-19, 5.6516620546686595e-19, 5.81332167703926e-19, 5.955242483278979e-19, 6.0783377140692e-19, 6.184209546043919e-19, 6.275293287686819e-19, 6.35365574685576e-19, 6.420979209016439e-19, 6.478000675420499e-19, 6.524607993703559e-19, 6.560544815604179e-19, 6.585731032290661e-19, 6.600262774361039e-19, 6.604877043066959e-19, 6.60013460023032e-19, 6.585314466365819e-19, 6.5595514660911e-19, 6.52183622812674e-19, 6.47067872820312e-19, 6.403851940798979e-19, 6.31856807857116e-19, 6.211783005915059e-19, 6.080580761356799e-19, 5.919481900808099e-19, 5.71885734269862e-19, 5.4678283076835e-19, 5.15146250953386e-19, 4.758624820643399e-19, 4.2867838019304e-19, 3.7387913278033796e-19, 3.1210881483310196e-19, 2.4415409507862597e-19, 1.7058855275188197e-19, 7.56140853709764e-20, -6.34449129650928e-20, -2.67952826800062e-19, -5.565961626516e-19, -9.45904256417358e-19, -1.4631445522313819e-18, -2.2322165735541596e-18, -3.51796332233916e-18, -5.870647557003779e-18]
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: 0.012742791837842195
Energy: 0.012999361253729518
Energy: 0.21446289716536013
Energy: 0.2144209100726999
Energy: 0.21551954182995053
Energy: 0.012913990669325994
Energy: 0.012999361255712317
Energy: 0.9278154702022872
Energy: 0.9278344011331483
Energy: 0.2144549276850175
Energy: 0.9274125115440579
Energy: 0.214420518677052
Energy: 0.2144628971624278
Energy: 0.9278344013384938
Energy: 0.9279254370993325
Energy: 0.012958622828942166
Energy: 0.21441918630814868
Energy: 0.9278053165336545
Energy: 0.2144209106450587
Energy: 0.21445492768306262
Energy: 0.012958622821094749
Energy: 0.012873855096476703
Energy: 0.21489194891819505
Energy: 0.2144833250093571
Energy: 0.21551954183143066
Energy: 0.9274122891054046
Energy: 0.21441918630814868
Energy: 0.21489194891327995
Energy: 0.9272166498538593
Energy: 0.21447905978358975
Energy: 0.012913990670303431
Energy: 0.21442051867853215
Energy: 0.9278053165341292
Energy: 0.21448330038086544
Energy: 0.21447905978163487
Energy: 0.012893758589241633

minimum gb energy = 0.012742791837842195 eV
minimum distance =  2.47169191496468 Angstroms
sigma value = 1


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

Energy: 1.8118586496183677
Energy: 1.2640352328553563
Energy: 1.3199008814963147
Energy: 1.2262434430921865
Energy: 1.2694100333714964
Energy: 1.2624733014310834
Energy: 1.1216484359667043
Energy: 1.319848739647494
Energy: 1.2140283732585606
Energy: 1.200723947588315
Energy: 1.2414362228336113
Energy: 1.3207389188538101
Energy: 1.1341814035737705
Energy: 1.230455704141045
Energy: 1.354584980816414
Energy: 1.2618036828568464
Energy: 1.235527688335102
Energy: 1.2215644960045082
Energy: 1.1920755481429273
Energy: 1.2155140165719693
Energy: 1.2853621786851521
Energy: 1.3852182368939394
Energy: 1.2397075895281104
Energy: 1.2054286763940503
Energy: 1.2423660910001786
Energy: 1.2190367733060725
Energy: 1.325769329158354
Energy: 1.2000577453604122
Energy: 1.2922621173177538
Energy: 1.2798524473790756
Energy: 1.2709568273176435
Energy: 1.286759207666249
Energy: 1.2862248784324248
Energy: 1.1991599988319066
Energy: 1.2846229596621737
Energy: 1.2863833548777486
Energy: 1.2647963614522952
Energy: 1.2849845037377436
Energy: 1.284336133334323
Energy: 1.325490253588269
Energy: 1.2846256614238931
Energy: 1.2857356487310196
Energy: 1.1549910519025592
Energy: 1.1554605718918538
Energy: 1.1991576378203372
Energy: 1.130255547677189
Energy: 1.3594734762872334
Energy: 1.1561338292529793
Energy: 1.1155544136892899
Energy: 1.2848014702793118
Energy: 1.2848539570146678
Energy: 1.2007568609838912
Energy: 1.2878755195451514
Energy: 1.2847918866337555
Energy: 1.1205946236426587
Energy: 1.2844306754249157
Energy: 1.2855320207081211
Energy: 1.2005445534456585
Energy: 1.284365411096973
Energy: 1.3007460403382427
Energy: 1.1550074232474363
Energy: 1.1562355978611605
Energy: 1.2046367849786601
Energy: 1.2254213885550687
Energy: 1.2039182203449925
Energy: 1.1581559486711674
Energy: 1.1940262795413898
Energy: 1.2116382839802424
Energy: 1.2747899764021946
Energy: 1.116482802336704
Energy: 1.2360076705668006
Energy: 1.1930614644642465
Energy: 1.1994823736832827
Energy: 1.2119297528007804
Energy: 1.2704736744330982
Energy: 1.3532277704593498
Energy: 1.197343315207114
Energy: 1.2686592972933608
Energy: 1.1981117058400128
Energy: 1.205587514665859
Energy: 1.2125028311378638
Energy: 1.1322453349837653
Energy: 1.2139598474184898
Energy: 1.2031256805340214
Energy: 1.1285049005688688
Energy: 1.2062862120588338
Energy: 1.2097710862328952
Energy: 1.200099055380346
Energy: 1.2098071258894585
Energy: 1.2853144267256793
Energy: 1.1301096124998438
Energy: 1.1988782389081634
Energy: 1.204141772322257
Energy: 1.1942251873263086
Energy: 1.2330676938738003
Energy: 1.326941973057873
Energy: 1.1988844247683719
Energy: 1.2212072718850222
Energy: 1.2499549760394864
Energy: 1.246011677825015
Energy: 1.2884500593451433
Energy: 1.22210322039257
Energy: 1.198188728954788
Energy: 1.2879423962087813
Energy: 1.2843474714922343
Energy: 1.2841904630046903
Energy: 1.2888510328546279
Energy: 1.3703165148490275
Energy: 1.2000669652442826
Energy: 1.288818781817998
Energy: 1.3598052422423386
Energy: 1.2555515399962591
Energy: 1.2882882921049728
Energy: 1.3189712638672595
Energy: 1.224364081596704
Energy: 1.2850641209028428
Energy: 1.156111284428063
Energy: 1.2443053334743777
Energy: 1.284868233274912
Energy: 1.3812517447063413
Energy: 1.1980848991176736
Energy: 1.284842457820723
Energy: 1.299873813745823
Energy: 1.3011182782230968
Energy: 1.2883646880783746
Energy: 1.284968172210095
Energy: 1.1312729162916506
Energy: 1.2852870112685657
Energy: 1.2855461095426515
Energy: 1.1185928684484627
Energy: 1.2881257986018275
Energy: 1.209347854303138
Energy: 1.1195839112861674
Energy: 1.322775968016106
Energy: 1.1937537145971864
Energy: 1.1930458872946057
Energy: 1.2348326355252124
Energy: 1.309244356942904

minimum gb energy = 1.1155544136892899 eV
minimum distance =  2.19372130504427 Angstroms
sigma value = 33


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

Energy: 2.3222991071801005
Energy: 1.2863863243155678
Energy: 1.2053398143640108
Energy: 1.2473871061799324
Energy: 1.2780694890013857
Energy: 1.3434362518759042
Energy: 1.4447146655666732
Energy: 1.490509490891952
Energy: 1.2551956962914788
Energy: 1.2282653309686657
Energy: 1.2229594825121526
Energy: 1.3197795439849183
Energy: 1.3658886826985053
Energy: 1.3038901170751973
Energy: 1.2992837408755367
Energy: 1.2458180761193622
Energy: 1.2993330112028518
Energy: 1.374156000984296
Energy: 1.3015052416100623
Energy: 1.2937118841264477
Energy: 1.2958230756241702
Energy: 1.4460387016043696
Energy: 1.2957353690991418
Energy: 1.3043636462076538
Energy: 1.3518800625219334
Energy: 1.293189114865522
Energy: 1.339188251070482
Energy: 1.4174794409711673
Energy: 1.5037928596491341
Energy: 1.3423840218125065
Energy: 1.2278404074454752
Energy: 1.3633795696272555
Energy: 1.3605618078492476
Energy: 1.227776441314754
Energy: 1.3615147927456555
Energy: 1.3652474962734589
Energy: 1.2266216722787326
Energy: 1.3632303420758378
Energy: 1.3607279714321718
Energy: 1.4935766228718117
Energy: 1.3618317376749824
Energy: 1.3630854070093794
Energy: 1.2276204886568867
Energy: 1.2180365631574332
Energy: 1.260244737000566
Energy: 1.2285786679880215
Energy: 1.3596510636517873
Energy: 1.2238753889497798
Energy: 1.3246363603721627
Energy: 1.2959517301139762
Energy: 1.3118297601999593
Energy: 1.3026645095702662
Energy: 1.2963032617094943
Energy: 1.4396856529612754
Energy: 1.1675057440655245
Energy: 1.2984922849533873
Energy: 1.3337318561196496
Energy: 1.3598156179457734
Energy: 1.2954377794285028
Energy: 1.3350015257332164
Energy: 1.318797123796381
Energy: 1.3411080240061912
Energy: 1.3099545047240402
Energy: 1.318502624208155
Energy: 1.3041443569637645
Energy: 1.2402531359308975
Energy: 1.2277363608308518
Energy: 1.219634389730613
Energy: 1.221136063260386
Energy: 1.1977494356313152
Energy: 1.2200692773062212
Energy: 1.2217461968551544
Energy: 1.2018170234589995
Energy: 1.2208278504535373
Energy: 1.241298408306621
Energy: 1.1982797598420203
Energy: 1.2402902072053823
Energy: 1.2233978611787604
Energy: 1.2881601929512652
Energy: 1.2872479234233307
Energy: 1.3078380128236136
Energy: 1.3669863160295226
Energy: 1.3176197073147777
Energy: 1.200764875892154
Energy: 1.2252626466200358
Energy: 1.345570677727676
Energy: 1.3841680254154693
Energy: 1.328940111039884
Energy: 1.347570712186403
Energy: 1.344433244435642
Energy: 1.2479350391396302
Energy: 1.346789114195276
Energy: 1.3568456893608878
Energy: 1.4387561724079667
Energy: 1.3447835252336127
Energy: 1.4183004661122878
Energy: 1.2836132869039596
Energy: 1.1989859571051502
Energy: 1.4851194423591783
Energy: 1.3662907783791591
Energy: 1.3843839654677967
Energy: 1.288046588027302
Energy: 1.1653861794772122
Energy: 1.347335999403
Energy: 1.3448824150084457
Energy: 1.4381909778855821
Energy: 1.3479019807905461
Energy: 1.3599696745092265
Energy: 1.165329045392981
Energy: 1.3453326669889443
Energy: 1.3457673783709454
Energy: 1.3633174394985281
Energy: 1.345631747457189
Energy: 1.347198120355965
Energy: 1.2021278205384422
Energy: 1.2034972640548958
Energy: 1.3235703727762624
Energy: 1.3697805660634916
Energy: 1.501008138119871
Energy: 1.203051821920436
Energy: 1.203466775427404
Energy: 1.2448733614409526
Energy: 1.2639608295414178
Energy: 1.4267217746519039
Energy: 1.250422403970907
Energy: 1.202215524046796
Energy: 1.2291547791139106
Energy: 1.2468179722140802
Energy: 1.360394747087463
Energy: 1.2669153578843682
Energy: 1.2247753861427226
Energy: 1.2535081583697025
Energy: 1.4172558495223422
Energy: 1.502163784815652
Energy: 1.312132943420059
Energy: 1.3202411928077376
Energy: 1.3001673634280908
Energy: 1.3502907521287073
Energy: 1.1985680327338024
Energy: 1.2979430271750485
Energy: 1.3773831076682532
Energy: 1.3042900344340618
Energy: 1.2992075842225663
Energy: 1.3497959413574265
Energy: 1.41758640535944
Energy: 1.500991117230761
Energy: 1.3000708766153355
Energy: 1.3401877057846077
Energy: 1.3032231130079592
Energy: 1.3475768344762964
Energy: 1.2268563169649584
Energy: 1.3622713051757636
Energy: 1.3628380621846408
Energy: 1.227164752249136
Energy: 1.3624653998396008
Energy: 1.2638794047176574
Energy: 1.2841810570973105
Energy: 1.3600502796181113
Energy: 1.3613410853666528
Energy: 1.435400978709538
Energy: 1.3642579380271032
Energy: 1.362132390545128
Energy: 1.226795126702943
Energy: 1.3686292398940627
Energy: 1.2264255833086442
Energy: 1.2267128182835862
Energy: 1.3620520621013774
Energy: 1.397324930020309
Energy: 1.304539174986928
Energy: 1.323425049131721
Energy: 1.4231184032929143
Energy: 1.3572875333491505
Energy: 1.3010596717265495
Energy: 1.3917676241131203
Energy: 1.3279685956785634
Energy: 1.3376583046882562
Energy: 1.3324342035225203
Energy: 1.40194898235752
Energy: 1.2995648946021352
Energy: 1.389154346779994
Energy: 1.3180804954983305
Energy: 1.299785863809865
Energy: 1.350969939776132
Energy: 1.3229625269880132
Energy: 1.2979738879586284
Energy: 1.344946587784052
Energy: 1.3919824768801046
Energy: 1.2467202488470142
Energy: 1.2516750265714753
Energy: 1.2488710404542998
Energy: 1.2242118223863316
Energy: 1.5515733360919621
Energy: 1.2939256136346766
Energy: 1.232547755387171
Energy: 1.2334089783292412
Energy: 1.2015844550802226
Energy: 1.2208120047847717
Energy: 1.297722342221129
Energy: 1.3686686069704372
Energy: 1.305947156932109
Energy: 1.2687910252735837
Energy: 1.2014218579990372
Energy: 1.2220214511420648
Energy: 1.3211727908517943
Energy: 1.3289024631733732
Energy: 1.385122914565091
Energy: 1.3493574380881765
Energy: 1.2256896860179567
Energy: 1.3469111434589507
Energy: 1.4247821197994763
Energy: 1.3265434262241373
Energy: 1.346182229644115
Energy: 1.344864933682399
Energy: 1.2464477178104398
Energy: 1.3441378251279297
Energy: 1.3563168943028998
Energy: 1.3194888469104396
Energy: 1.3349701222516546
Energy: 1.19906090394503
Energy: 1.3812493287006231
Energy: 1.1996327631445751
Energy: 1.3423431217880126
Energy: 1.3291483958094625
Energy: 1.3458786941475789
Energy: 1.3462558381121534
Energy: 1.1669967325702937
Energy: 1.3450939043493289
Energy: 1.4149279533374477
Energy: 1.3304650764890495
Energy: 1.344192015139682
Energy: 1.3445482756030032
Energy: 1.2987183693193136
Energy: 1.3475898445955734
Energy: 1.445822972183382
Energy: 1.3679242561303055
Energy: 1.3025101118094957
Energy: 1.2031312406550254
Energy: 1.2043236609168262
Energy: 1.2025905509162114
Energy: 1.3083327701436762
Energy: 1.1639076207068868
Energy: 1.2486848117955567
Energy: 1.2422393295774312
Energy: 1.2027047102802821
Energy: 1.2473913133119336
Energy: 1.334533411657661

minimum gb energy = 1.1639076207068868 eV
minimum distance =  2.19355958513845 Angstroms
sigma value = 51


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

Energy: 2.165701304199333
Energy: 1.360441093817039
Energy: 1.422116552508465
Energy: 1.315732736512993
Energy: 1.3453169797558622
Energy: 1.3595323913993045
Energy: 1.1849199971429565
Energy: 1.3814033642963948
Energy: 1.2907430141764131
Energy: 1.3637244610129975
Energy: 1.2805404322431793
Energy: 1.280189659371022
Energy: 1.3191625110126954
Energy: 1.2795991784199414
Energy: 1.2736416250396283
Energy: 1.3089406696438886
Energy: 1.2955285459837653
Energy: 1.281953497333841
Energy: 1.327934793203186
Energy: 1.2736243540690786
Energy: 1.2716368063102765
Energy: 1.3075375242334983
Energy: 1.27548644733373
Energy: 1.2794824205586641
Energy: 1.3323860107340926
Energy: 1.282798078281935
Energy: 1.304162754203522
Energy: 1.3102595021589114
Energy: 1.4183606385381362
Energy: 1.2872272141655794
Energy: 1.3353511285700868
Energy: 1.3715782188749532
Energy: 1.3658089614769018
Energy: 1.3595512645478212
Energy: 1.3704292812720076
Energy: 1.369970906014692
Energy: 1.3957757314003085
Energy: 1.3714513881030606
Energy: 1.3704671227165093
Energy: 1.4472428847563572
Energy: 1.3720686959332216
Energy: 1.3698290486306288
Energy: 1.4350416093288836
Energy: 1.4330101945981542
Energy: 1.3744253845707668
Energy: 1.323888415054646
Energy: 1.3701240540307824
Energy: 1.2745611032359445
Energy: 1.185191391106629
Energy: 1.2861697188265064
Energy: 1.2764962392914927
Energy: 1.3096199554019101
Energy: 1.3049111092350638
Energy: 1.3467543830024407
Energy: 1.1582677790252245
Energy: 1.2726356344862455
Energy: 1.3733925276191838
Energy: 1.3542849262509296
Energy: 1.275163203333434
Energy: 1.3470716873342516
Energy: 1.337773620937119
Energy: 1.3066193613962878
Energy: 1.3035217195100064
Energy: 1.3340728405226232
Energy: 1.306847487737555
Energy: 1.2890416596639325
Energy: 1.3490705078046665
Energy: 1.277406376254355
Energy: 1.2870668460833374
Energy: 1.372577996998094
Energy: 1.2839400468680515
Energy: 1.2790099332338751
Energy: 1.3407912928428272
Energy: 1.2794232258334137
Energy: 1.2869485816489792
Energy: 1.3712527887793513
Energy: 1.2982896559596377
Energy: 1.27894728336417
Energy: 1.3109031612787152
Energy: 1.2897670366380132
Energy: 1.3021988251353271
Energy: 1.4355786646563446
Energy: 1.3068234771932543
Energy: 1.3883906438745781
Energy: 1.382156891918924
Energy: 1.3710729738012726
Energy: 1.4751981437657038
Energy: 1.5042046412410313
Energy: 1.3704709917463893
Energy: 1.370802323136403
Energy: 1.3380687282521295
Energy: 1.3714247661966026
Energy: 1.3697192466934176
Energy: 1.447716674218828
Energy: 1.3731765136715637
Energy: 1.3717828043827809
Energy: 1.3108852160710813
Energy: 1.3177411622692106
Energy: 1.3782016307317972
Energy: 1.309492784293247
Energy: 1.3026460296155298
Energy: 1.3031490543598168
Energy: 1.157867559772349
Energy: 1.2762001904427984
Energy: 1.2780318023779222
Energy: 1.3095955287246759
Energy: 1.2727857654110284
Energy: 1.347022480574097

minimum gb energy = 1.157867559772349 eV
minimum distance =  2.20601252675042 Angstroms
sigma value = 19


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

Energy: 2.002572857458356
Energy: 1.3744022061693133
Energy: 1.42970120173378
Energy: 1.2998933841859204
Energy: 1.3956005125691826
Energy: 1.3867736828922823
Energy: 1.2820624323395828
Energy: 1.5435967982960686
Energy: 1.3014223941410792
Energy: 1.340889292008022
Energy: 1.3621926472306563
Energy: 1.4775179252982964
Energy: 1.4438185237809735
Energy: 1.4132018486824278
Energy: 1.4649044257472246
Energy: 1.4144051519661598
Energy: 1.4137825470382326
Energy: 1.4915106711888626
Energy: 1.4729459463046088
Energy: 1.4168829209724472
Energy: 1.4142951589090325
Energy: 1.449691573140118
Energy: 1.413572621140871
Energy: 1.5003285298518874
Energy: 1.4911877744870343
Energy: 1.4306135430376177
Energy: 1.4819815160874232
Energy: 1.3378936024584724
Energy: 1.5191198353386575
Energy: 1.530751369196759
Energy: 1.4803319655803906
Energy: 1.4474629607562997
Energy: 1.4895640007866318
Energy: 1.2792981130330707
Energy: 1.4648017157724855
Energy: 1.481181974577653
Energy: 1.5190722850548015
Energy: 1.4397786340081387
Energy: 1.4705682449542146
Energy: 1.4574169394879664
Energy: 1.4169759258045636
Energy: 1.5244315722937156
Energy: 1.3648908364422305
Energy: 1.414485098047346
Energy: 1.4781646657844334
Energy: 1.3379022999181784
Energy: 1.464707466824609
Energy: 1.450711765514487
Energy: 1.3335077238049542
Energy: 1.3654403668416866
Energy: 1.2978895582239607
Energy: 1.3373073404439442
Energy: 1.306850816099187
Energy: 1.4769540714109446
Energy: 1.3375626015866022
Energy: 1.3106494170841152
Energy: 1.3153550855380545
Energy: 1.300447458869203
Energy: 1.296885833454581
Energy: 1.4179467724099615
Energy: 1.3658056847787285
Energy: 1.469738794820931
Energy: 1.3628151287329648
Energy: 1.3422112292993102
Energy: 1.361811478200864
Energy: 1.4448978078697141
Energy: 1.4430012720222734
Energy: 1.5030944348641155
Energy: 1.4649161359762937
Energy: 1.4841585718415502
Energy: 1.4594486798560502
Energy: 1.475431202972483
Energy: 1.560461149996836
Energy: 1.4652719252110826
Energy: 1.4930759528060022
Energy: 1.4808191883714485
Energy: 1.4732560326970823
Energy: 1.5278974219394246
Energy: 1.3643949482654225
Energy: 1.470442795627443
Energy: 1.469759241466878
Energy: 1.3655058236966673
Energy: 1.4695569254266259
Energy: 1.4835157111665211
Energy: 1.2988815736776367
Energy: 1.3193038700538608
Energy: 1.4339411549757226
Energy: 1.4446724229091261
Energy: 1.3658469323459395
Energy: 1.35007220701284
Energy: 1.340326398893909
Energy: 1.3006148285867905
Energy: 1.3598349910650929
Energy: 1.3289006662327125
Energy: 1.295602485076685
Energy: 1.3440944430211592
Energy: 1.2787989593830837
Energy: 1.3623386068457604
Energy: 1.4690165939584567
Energy: 1.36545250115751
Energy: 1.4693343835650596
Energy: 1.2998021624016027
Energy: 1.4846730142988807
Energy: 1.4190601619666232
Energy: 1.4910945683140526
Energy: 1.5074070647369693
Energy: 1.4157973116700027
Energy: 1.4132157272968928
Energy: 1.4487731888437385
Energy: 1.4135300103333268
Energy: 1.4127863507312604
Energy: 1.469675545123184
Energy: 1.4151545682257212
Energy: 1.46510613938452
Energy: 1.3371309714425579
Energy: 1.4710851180398608
Energy: 1.4329532244664218
Energy: 1.4718007807153564
Energy: 1.4703573568486856
Energy: 1.3774437763435199
Energy: 1.3309153313188697
Energy: 1.4135963836169694
Energy: 1.449128573917711
Energy: 1.4700085111054078
Energy: 1.4130762999490496
Energy: 1.4892946937720843
Energy: 1.2145272781132739
Energy: 1.413492128003048
Energy: 1.4385729727667014
Energy: 1.5293570059124806
Energy: 1.4427406161458538
Energy: 1.4572529764085507
Energy: 1.3441776661805236
Energy: 1.4220890622208187
Energy: 1.508960541564389
Energy: 1.364439703716074
Energy: 1.4653006213061626
Energy: 1.3674529657902763
Energy: 1.340654175462499
Energy: 1.297350364824119
Energy: 1.4170098225422756
Energy: 1.408573307370499
Energy: 1.3045707344234012
Energy: 1.3405333104287318
Energy: 1.2993424537267442
Energy: 1.2958308681644173
Energy: 1.2990328975223753
Energy: 1.3322509721000608
Energy: 1.3015335560990433
Energy: 1.2999701157021093
Energy: 1.301719503911009
Energy: 1.4894229022797154
Energy: 1.5048917241603224
Energy: 1.3639294747602295
Energy: 1.4653798440274564
Energy: 1.3685864645949144
Energy: 1.4774085483055615
Energy: 1.4610217350216101
Energy: 1.4888157670553113
Energy: 1.4807952102037796
Energy: 1.4886247696501755
Energy: 1.4649824048500724
Energy: 1.4412488896683302
Energy: 1.4591174071233883
Energy: 1.4703716677823158
Energy: 1.5617092017856158
Energy: 1.45301121537368
Energy: 1.491032756011666
Energy: 1.3641980314077977
Energy: 1.4691207292810853
Energy: 1.4048084074916043
Energy: 1.3020223602594725
Energy: 1.4810976103054758
Energy: 1.4130797574745717
Energy: 1.211772771516276
Energy: 1.3089688885986681
Energy: 1.3082168116136947
Energy: 1.2994863962769398
Energy: 1.2980174615405855
Energy: 1.3589343522004071

minimum gb energy = 1.211772771516276 eV
minimum distance =  2.18637446234941 Angstroms
sigma value = 27


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

Energy: 1.6379273140461825
Energy: 1.3575948125595712
Energy: 1.4930962608623806
Energy: 1.2249599683616041
Energy: 1.4323241967478741
Energy: 1.5458357473688904
Energy: 1.16723018310221
Energy: 1.451257959691473
Energy: 1.364416884261567
Energy: 1.1889448740007584
Energy: 1.311485248936361
Energy: 1.4623943851697034
Energy: 1.1903365871854787
Energy: 1.3336293859940886
Energy: 1.3563524242330147
Energy: 1.184492309574742
Energy: 1.3150719261752275
Energy: 1.3643665975223993
Energy: 1.3194402059605534
Energy: 1.3124475906513542
Energy: 1.3158918830383188
Energy: 1.370726169230389
Energy: 1.3149748192131816
Energy: 1.3093523309670356
Energy: 1.1874845821730178
Energy: 1.3054164136141375
Energy: 1.4828782829635023
Energy: 1.1870414940580059
Energy: 1.3737146062632895
Energy: 1.3051781266221096
Energy: 1.2243139638009246
Energy: 1.3139045111593788
Energy: 1.4509710718995716
Energy: 1.1892950743745812
Energy: 1.3787290484524795
Energy: 1.3738128735414452
Energy: 1.2269004661144551
Energy: 1.3095280449765483
Energy: 1.3578282996067719
Energy: 1.6357194518341274
Energy: 1.311770785900233
Energy: 1.4910548027738766
Energy: 1.1878865758272368
Energy: 1.3643240302354247
Energy: 1.4534850898626124
Energy: 1.188911167655268
Energy: 1.381025071550325
Energy: 1.365483237171058
Energy: 1.1881361909364918
Energy: 1.3130410881710688
Energy: 1.3315754324828453
Energy: 1.1891809373374411
Energy: 1.316916886256558
Energy: 1.379553818955447
Energy: 1.3353898215028701
Energy: 1.3145513229485308
Energy: 1.3109415751558868
Energy: 1.3712276723092285
Energy: 1.3146319261407344
Energy: 1.3135243048395415
Energy: 1.1879288913760049
Energy: 1.3793530503426046
Energy: 1.3059944166699133
Energy: 1.1876595874207672
Energy: 1.4492410942182439
Energy: 1.5419453539470684
Energy: 1.1892016451689285
Energy: 1.3826010150227692
Energy: 1.3079794794291433
Energy: 1.219977413311865
Energy: 1.3101376167162961
Energy: 1.4507686211141468

minimum gb energy = 1.16723018310221 eV
minimum distance =  2.23282249983792 Angstroms
sigma value = 9


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

Energy: 1.3527082271402167
Energy: 1.3817461606060342
Energy: 1.259156493276076
Energy: 1.3831507996429602
Energy: 1.2981070135039978
Energy: 1.444755241146557
Energy: 1.3699557714897839
Energy: 1.505211392791629
Energy: 1.2968929617637655
Energy: 1.2976473022388557
Energy: 1.2961016510489631
Energy: 1.3705054104334289
Energy: 1.4207755780762132
Energy: 1.4862400279022403
Energy: 1.483535408323538
Energy: 1.2985803821487414
Energy: 1.4931827371123305
Energy: 1.544046492908318
Energy: 1.2213671949322462
Energy: 1.4855645709868472
Energy: 1.484983831650844
Energy: 1.3013418924149058
Energy: 1.480492509498299
Energy: 1.4842017747782477
Energy: 1.3431050975070986
Energy: 1.4840495464474504
Energy: 1.4840532973335778
Energy: 1.418090797925126
Energy: 1.4842637679248751
Energy: 1.5101340051356562
Energy: 1.3414254144694202
Energy: 1.2964728333284306
Energy: 1.5334927035064552
Energy: 1.3748511086399688
Energy: 1.2996879115986686
Energy: 1.2975899375171331
Energy: 1.2743983763848192
Energy: 1.298840464518965
Energy: 1.3971964636327983
Energy: 1.4494834075119207
Energy: 1.2984919882929862
Energy: 1.272254705829234
Energy: 1.2539990415011353
Energy: 1.2965425517903442
Energy: 1.5345973991430548
Energy: 1.3738655039605603
Energy: 1.2972458977101626
Energy: 1.2587864408929177
Energy: 1.273407491972267
Energy: 1.4634077144808013
Energy: 1.5206282793619124
Energy: 1.3710660304166682
Energy: 1.45188986803573
Energy: 1.4956450360386766
Energy: 1.2745227292509695
Energy: 1.4642900546227389
Energy: 1.4493722405832439
Energy: 1.362950783984442
Energy: 1.4527990656310943
Energy: 1.4721521325474727
Energy: 1.3742681977110414
Energy: 1.4857714631473375
Energy: 1.4495598861293182
Energy: 1.3659271168335059
Energy: 1.4501171801466126
Energy: 1.4764281762741294
Energy: 1.3749731101397364
Energy: 1.5433561492348713
Energy: 1.3993711687786015
Energy: 1.3708117796844868
Energy: 1.3992027668307876
Energy: 1.3730842286507958
Energy: 1.3392072732265972
Energy: 1.3985558927287594
Energy: 1.395338661102381
Energy: 1.3257924419383373
Energy: 1.4007827926498098
Energy: 1.4887312396640133
Energy: 1.3767856611703393
Energy: 1.3964434705352635
Energy: 1.3721028203415002
Energy: 1.3543351283493068
Energy: 1.3989398117841807
Energy: 1.4642732447059976
Energy: 1.3787666531192306
Energy: 1.573278148718203
Energy: 1.3841143506104685
Energy: 1.3262395085472016
Energy: 1.3998264973297319
Energy: 1.4948600197150896
Energy: 1.4585599770322546
Energy: 1.395577355182035
Energy: 1.4072659460652983
Energy: 1.3550530547928985
Energy: 1.3983976827985345
Energy: 1.426235598315039
Energy: 1.375606825473038
Energy: 1.3990447846024705
Energy: 1.3982841248469415
Energy: 1.3690988055330193
Energy: 1.397704854323958
Energy: 1.4244241591235547
Energy: 1.3737247141615625
Energy: 1.4538759910037975
Energy: 1.5188143801459537
Energy: 1.3711307781088917
Energy: 1.449332865876715
Energy: 1.299127540115419
Energy: 1.2719104821876106
Energy: 1.4730618121134404
Energy: 1.4901486079650463
Energy: 1.394303548992579
Energy: 1.4605761775915953
Energy: 1.5023009227737898
Energy: 1.2757364112290976
Energy: 1.4580264673727128
Energy: 1.5202438826587328
Energy: 1.3708141205877327
Energy: 1.449191622857134
Energy: 1.4862797926268914
Energy: 1.2715685740654112
Energy: 1.2625814807580638
Energy: 1.5401114718325872
Energy: 1.3689450823293232
Energy: 1.5187297853715458
Energy: 1.2583258384528686
Energy: 1.256877915498872
Energy: 1.2963971469929718
Energy: 1.3655432394829103
Energy: 1.368923204333564
Energy: 1.2965794083007696
Energy: 1.2591246932609443
Energy: 1.3418654265073813
Energy: 1.295583641512108
Energy: 1.44993645147833
Energy: 1.3700614945012315
Energy: 1.2948763750548828
Energy: 1.2946446714528952
Energy: 1.3433194952934506
Energy: 1.4888199777657454
Energy: 1.5204186910890776
Energy: 1.3693048195931075
Energy: 1.500732233045559
Energy: 1.2967873315333724
Energy: 1.3433283785848393
Energy: 1.505087647552625
Energy: 1.4875352099424186
Energy: 1.2961109063578922
Energy: 1.4845778055624803
Energy: 1.5364804039834148
Energy: 1.343871149222499
Energy: 1.4839597320064462
Energy: 1.4853014541784302
Energy: 1.222673213982244
Energy: 1.484419839109196
Energy: 1.4838004683931074
Energy: 1.4210231722556679
Energy: 1.475569732069823
Energy: 1.2956394126857014
Energy: 1.2965911755978046
Energy: 1.29758885421592
Energy: 1.3704549591712176
Energy: 1.4206397941647795
Energy: 1.2956836981188098
Energy: 1.2962790878308532
Energy: 1.334630209577079
Energy: 1.29832940736324
Energy: 1.3975140701738282
Energy: 1.3713148149262746
Energy: 1.29801832659778
Energy: 1.2949204934741203
Energy: 1.257520713666518
Energy: 1.2962818289212148
Energy: 1.396657418315276
Energy: 1.4192636645747343
Energy: 1.5230538466997272
Energy: 1.3631426786199787
Energy: 1.2721522576922923
Energy: 1.4929275319806463
Energy: 1.6129417284711196
Energy: 1.4631724045944436
Energy: 1.4497932041783967
Energy: 1.4715359289397285
Energy: 1.2727300354539668
Energy: 1.4495604468945678
Energy: 1.4507322467592145
Energy: 1.4606283634096962
Energy: 1.4585710377744634
Energy: 1.5081686321613055
Energy: 1.276857337863736
Energy: 1.4641632455499733
Energy: 1.472070039301081
Energy: 1.4254599932064558
Energy: 1.3967532922339212
Energy: 1.4126375218612648
Energy: 1.3714508515487454
Energy: 1.4558045331638583
Energy: 1.3690781838475767
Energy: 1.375808339028871
Energy: 1.398720185713565
Energy: 1.3966995127288746
Energy: 1.3716055201180373
Energy: 1.3995820342164444
Energy: 1.465474008313301
Energy: 1.3577897461939916
Energy: 1.3971581178396522
Energy: 1.396064648212588
Energy: 1.367486989898724
Energy: 1.3960574505168006
Energy: 1.3753264624211998
Energy: 1.3226180650356572
Energy: 1.4706044458648053
Energy: 1.5729043200059114
Energy: 1.3711638791852383
Energy: 1.5640206372084602
Energy: 1.3969800001288495
Energy: 1.3591396395289908
Energy: 1.3959471328237483
Energy: 1.3975005563515377
Energy: 1.369463073033087
Energy: 1.3983972533297502
Energy: 1.406205972333754
Energy: 1.337113498000066
Energy: 1.4226956710429985
Energy: 1.424543492353207
Energy: 1.3638817246268071
Energy: 1.397549488012311
Energy: 1.4825196101143554
Energy: 1.4197371934761547
Energy: 1.3958856440628566
Energy: 1.4401070670778007
Energy: 1.3729174478467812
Energy: 1.449700439069991
Energy: 1.371469388701522
Energy: 1.3404484532943342
Energy: 1.455685311024752
Energy: 1.513108937792795
Energy: 1.299555479307236
Energy: 1.4650943046033613
Energy: 1.4496289629756758
Energy: 1.4242559350076152
Energy: 1.450597788007168
Energy: 1.4865888542882868
Energy: 1.3600948456665225
Energy: 1.4485693900266954
Energy: 1.4493838518689761
Energy: 1.4181575481986528
Energy: 1.5218713162083854
Energy: 1.4939019502717195
Energy: 1.2741009181763245
Energy: 1.4843119878262563
Energy: 1.545367966853763
Energy: 1.3782832728491827
Energy: 1.2974373455073218
Energy: 1.2951160096493377
Energy: 1.256414146120336
Energy: 1.2954543585959197
Energy: 1.5913732255053985

minimum gb energy = 1.2213671949322462 eV
minimum distance =  2.20933814487327 Angstroms
sigma value = 57


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

Energy: 2.36309916226243
Energy: 1.4161215434075567
Energy: 1.153992458673206
Energy: 1.154257499272856
Energy: 1.424016873466286
Energy: 1.4165885775371956
Energy: 1.736618614433408
Energy: 1.4312513612860978
Energy: 1.2759090592514235
Energy: 1.1225513040501474
Energy: 1.2769784352792048
Energy: 1.3984830695956811
Energy: 1.125491274765603
Energy: 1.3207467988302823
Energy: 1.4100236285545251
Energy: 1.1237411092047898
Energy: 1.4097026938650385
Energy: 1.2771548413896592
Energy: 1.1316262982857048
Energy: 1.4093105596007127
Energy: 1.4098394843763196
Energy: 1.3292474799855718
Energy: 1.4097349034394155
Energy: 1.1168443005647928
Energy: 1.1190678884841974
Energy: 1.3288210490190806
Energy: 1.4156563731234968
Energy: 1.1228419231178497
Energy: 1.409091147318836
Energy: 1.3290409458914518
Energy: 1.1204588757174927
Energy: 1.2752459258949447
Energy: 1.416627130075341
Energy: 1.1330368507085744
Energy: 1.2775756564238445
Energy: 1.2749650212035935
Energy: 1.1498731230001928
Energy: 1.3037148260978895
Energy: 1.2823142514131654
Energy: 1.2704658463113943
Energy: 1.3041534267182764
Energy: 1.1515669760252414
Energy: 1.15553745168107
Energy: 1.2754541031866526
Energy: 1.4319605037114893
Energy: 1.278124429677856
Energy: 1.2763824221667752
Energy: 1.2740080926998285
Energy: 1.1511586658978683
Energy: 1.152503713120083
Energy: 1.4308060892709633
Energy: 1.1242459726628864
Energy: 1.4175037527546774
Energy: 1.151457412975954
Energy: 1.1518063045092197
Energy: 1.2796167983055937
Energy: 1.393533552985503
Energy: 1.3928562873953148
Energy: 1.2780832361828636
Energy: 1.1519758605130634
Energy: 1.124802770478996
Energy: 1.1269571840758421
Energy: 1.4258911870466817
Energy: 1.118716233971203
Energy: 1.274978074909453
Energy: 1.1267417349920623
Energy: 1.1336469271400256
Energy: 1.4300848688132404
Energy: 1.320326906495313
Energy: 1.1247768313210762
Energy: 1.4106135594693427
Energy: 1.2769795256234036
Energy: 1.1254647350918356
Energy: 1.4102814957606074
Energy: 1.329465564861464
Energy: 1.2821114673531895
Energy: 1.4303992878255005
Energy: 1.4100076976427194
Energy: 1.134269707363986
Energy: 1.4321022323730503
Energy: 1.3298316577801603
Energy: 1.1233594446534287
Energy: 1.4096675760262487
Energy: 1.3275481570298675
Energy: 1.1272525124325032
Energy: 1.4107580064774712
Energy: 1.2786721466368678
Energy: 1.1302563138993984
Energy: 1.2806899843987947
Energy: 1.2773296538387549
Energy: 1.4002574195322712
Energy: 1.2789549492092207
Energy: 1.2801499480403549
Energy: 1.1332163073596435
Energy: 1.2799633348603663
Energy: 1.32186856598821
Energy: 1.399436078286228
Energy: 1.2763859025534046
Energy: 1.2755007857181464
Energy: 1.1526680976314136
Energy: 1.2755760387202095
Energy: 1.2787193274031359
Energy: 1.4083044843201253
Energy: 1.4167146723953372
Energy: 1.1513775676827205
Energy: 1.1495392777016513
Energy: 1.2864502736892245
Energy: 1.397051029687973
Energy: 1.40876102281747
Energy: 1.2823386922997486
Energy: 1.2744138221485104
Energy: 1.151097277791367
Energy: 1.274908641923304
Energy: 1.4177872574483452

minimum gb energy = 1.1168443005647928 eV
minimum distance =  2.1845472130103 Angstroms
sigma value = 11


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

Energy: 1.8059762268024846
Energy: 1.299063010644288
Energy: 1.0752440394247358
Energy: 1.1826353196320754
Energy: 1.1870739035055862
Energy: 1.3022905698656742
Energy: 1.9958878293376359
Energy: 1.3229247563741278
Energy: 1.2366254040508364
Energy: 1.2343265509378556
Energy: 1.1842063087865462
Energy: 1.3533337588357393
Energy: 1.4583912659530751
Energy: 1.319748393986191
Energy: 1.3239192991074022
Energy: 1.237059401485158
Energy: 1.3204314585901722
Energy: 1.3503820193626483
Energy: 1.5299119277428532
Energy: 1.32066618152571
Energy: 1.3231908877088816
Energy: 1.2383500215359473
Energy: 1.3200171969646137
Energy: 1.3445421058345906
Energy: 1.5205723241367834
Energy: 1.3204776616135878
Energy: 1.3211398079266785
Energy: 1.3461112955220698
Energy: 1.31970282952706
Energy: 1.3449765764523194
Energy: 1.4611824293075428
Energy: 1.3239405659055465
Energy: 1.3214464150166771
Energy: 1.34749266791819
Energy: 1.3211947229628642
Energy: 1.3854660246737027
Energy: 1.267657879040896
Energy: 1.23480645188422
Energy: 1.3223324227610151
Energy: 1.233008678089401
Energy: 1.3219821276811232
Energy: 1.233126971073641
Energy: 1.0819494184283445
Energy: 1.321898923537526
Energy: 1.3211931790751346
Energy: 1.3216654117671842
Energy: 1.3258851763035762
Energy: 1.236962561262515
Energy: 1.2731299496561659
Energy: 1.1832615674666043
Energy: 1.3524983986466808
Energy: 1.392946046514724
Energy: 1.3218876570809486
Energy: 1.1888016767348162
Energy: 1.2550100055274973
Energy: 1.1812889833635916
Energy: 1.1811821201460893
Energy: 1.3223260557950316
Energy: 1.1830383876905377
Energy: 1.1843054120232666
Energy: 1.0742267313295415
Energy: 1.1789595826995019
Energy: 1.1791940797856761
Energy: 1.3231983764266881
Energy: 1.1795306208606633
Energy: 1.1792559120071513
Energy: 1.068878803007527
Energy: 1.1816438786729766
Energy: 1.3510232086527951
Energy: 1.349932085042807
Energy: 1.2926887257518531
Energy: 1.0751561715905003
Energy: 1.0762668379718077
Energy: 1.1772723277966237
Energy: 1.325877349568438
Energy: 1.3870817169548868
Energy: 1.1822023328676683
Energy: 1.0736032007132534
Energy: 1.0660296243444296
Energy: 1.235391992904658
Energy: 1.2839235864340892
Energy: 1.477256540224534
Energy: 1.1843947546341111
Energy: 1.2348210856479862
Energy: 1.258309548960049
Energy: 1.1811347784941995
Energy: 1.3501856351291501
Energy: 1.3235589742335057
Energy: 1.3218107673975728
Energy: 1.2397342019056874
Energy: 1.2611816904811755
Energy: 1.3203421796618287
Energy: 1.3255096442272412
Energy: 1.386139141728666
Energy: 1.3217890608681284
Energy: 1.3211386181983984
Energy: 1.2753695178179112
Energy: 1.3242649334079466
Energy: 1.345252824351937
Energy: 1.345258602029839
Energy: 1.320389896958885
Energy: 1.2343014349000463
Energy: 1.4509406148983652
Energy: 1.3215315770227245
Energy: 1.3707654335894175
Energy: 1.406603863648672
Energy: 1.3207160434574647
Energy: 1.3220569073331498
Energy: 1.733060153337308
Energy: 1.3209107802417301
Energy: 1.384893092235977
Energy: 1.3467494475137454
Energy: 1.3211524552382359
Energy: 1.3672260946613364
Energy: 1.2563239774946848
Energy: 1.3208120416115994
Energy: 1.2348422536243064
Energy: 1.1820527328480366
Energy: 1.322732445821235
Energy: 1.3215663124389447
Energy: 1.722287079157218
Energy: 1.3202550614990514
Energy: 1.2370969014509816
Energy: 1.0657646440641293
Energy: 1.3198271124330694
Energy: 1.317964877366615
Energy: 1.4691446657770033
Energy: 1.3226415372303102
Energy: 1.1828094188485887
Energy: 1.2429127743914483
Energy: 1.1808776253053497
Energy: 1.3504674549118525
Energy: 1.7491771739063442
Energy: 1.1819427562133682
Energy: 1.182678421582245
Energy: 1.067110447319131
Energy: 1.1829099580126743
Energy: 1.3200234924655265
Energy: 1.7564691353845352
Energy: 1.1785851105624254
Energy: 1.1794950338218202
Energy: 1.0766793293491694
Energy: 1.1773155456717572
Energy: 1.325631675419223
Energy: 1.4509001406329112
Energy: 1.2940605332516464
Energy: 1.0732964320238967
Energy: 1.0703833165593908
Energy: 1.184220531010516
Energy: 1.3496577264087817
Energy: 1.9947479284522522
Energy: 1.1814601742644741
Energy: 1.0714922725706861
Energy: 1.0741448444539037
Energy: 1.1828179198950048
Energy: 1.2832286274843057

minimum gb energy = 1.0657646440641293 eV
minimum distance =  2.16829572332178 Angstroms
sigma value = 41


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

Energy: 1.874689374447514
Energy: 1.1838787565132933
Energy: 0.996825533052328
Energy: 0.9957888851378458
Energy: 1.0853278819703707
Energy: 1.2444511996280778
Energy: 1.7082685273937703
Energy: 1.2050766450363237
Energy: 1.1257965267879768
Energy: 1.1228749265535174
Energy: 1.088888633908571
Energy: 1.2351472322556996
Energy: 1.7170930289591841
Energy: 1.24876733113084
Energy: 1.2043344445596835
Energy: 1.1539162216190797
Energy: 1.204064232978657
Energy: 1.2827839688114524
Energy: 1.7496391281985135
Energy: 1.2034602126467735
Energy: 1.204516201615467
Energy: 1.1533738974031682
Energy: 1.2034738830895988
Energy: 1.2311574705871136
Energy: 1.728805316639455
Energy: 1.2030825253382573
Energy: 1.2040229139228789
Energy: 1.2475600951058083
Energy: 1.2032585881636804
Energy: 1.2294172737599327
Energy: 1.713594242298584
Energy: 1.2388236212870096
Energy: 1.25943777865365
Energy: 1.2763926203066913
Energy: 1.2388026516751167
Energy: 1.2393219701955014
Energy: 1.496871952236459
Energy: 1.2391919857769849
Energy: 1.2386775151489164
Energy: 1.2390673998380517
Energy: 1.2384173718918579
Energy: 1.2389148321275893
Energy: 1.278307437921178
Energy: 1.2391482078354719
Energy: 1.2388855542530988
Energy: 1.20558041205965
Energy: 1.251653408529517
Energy: 1.2293558148464732
Energy: 1.4950380360632671
Energy: 1.2594509672928307
Energy: 1.239826244420261
Energy: 1.2392986972558087
Energy: 1.23906453662487
Energy: 1.2038510483610172
Energy: 1.4945243714054193
Energy: 1.2459508821718617
Energy: 1.2034586877567741
Energy: 1.238025007399137
Energy: 1.204459232826559
Energy: 1.2472840386617698
Energy: 1.1407527871232601
Energy: 1.2041222557803777
Energy: 1.203927121914171
Energy: 1.2744250621697903
Energy: 1.203622193016053
Energy: 1.1361014462130516
Energy: 1.1448290113160295
Energy: 1.1356213346655524
Energy: 1.2346342485522455
Energy: 1.2386247193102289
Energy: 1.2040287490652988
Energy: 1.1349690240615933
Energy: 1.132558914626228
Energy: 1.083295896490141
Energy: 1.2043181376057084
Energy: 1.2376443560859307
Energy: 1.0884830971942805
Energy: 1.0828046434495562
Energy: 0.9932028034844665
Energy: 1.085499626946407
Energy: 1.2027906016950234
Energy: 1.2031624322725483
Energy: 1.0844743481549903
Energy: 0.9945398836001031
Energy: 0.9944644116615472
Energy: 1.0831409080774321
Energy: 1.2350128173042738
Energy: 1.2351146518454084
Energy: 1.190559140227935
Energy: 1.0830561520964894
Energy: 0.997529599689225
Energy: 1.0844639797373994
Energy: 1.2131049127510805
Energy: 1.2344137867098879
Energy: 1.1903996779708819
Energy: 0.9951958545786429
Energy: 0.9933552420653652
Energy: 0.9961712565261235
Energy: 1.1662013878395339
Energy: 1.2307113943695116
Energy: 1.0844886686612065
Energy: 0.9952749879385407
Energy: 1.1316843632051141
Energy: 1.1186373596780248
Energy: 1.2122748469458517
Energy: 1.2298712569627819
Energy: 1.0872155836073343
Energy: 1.1179187283622456
Energy: 1.1400581038304067
Energy: 1.204231225926891
Energy: 1.2345374104005524
Energy: 1.2386824415659423
Energy: 1.2043300018953442
Energy: 1.149511428626111
Energy: 1.1436732571463684
Energy: 1.2041657958557745
Energy: 1.203559062455041
Energy: 1.2303908981360507
Energy: 1.2042612458329134
Energy: 1.204237670567427
Energy: 1.4912786252545114
Energy: 1.2057706533263717
Energy: 1.230317849054091
Energy: 1.230192660419535
Energy: 1.2034142496583877
Energy: 1.2038324972628747
Energy: 1.5056046865256554
Energy: 1.2045907210998503
Energy: 1.2407402327088473
Energy: 1.2340133040634975
Energy: 1.2389367371181177
Energy: 1.2042379989691585
Energy: 1.5074468790682107
Energy: 1.2384863457208288
Energy: 1.2511274616769803
Energy: 1.2041363747566252
Energy: 1.2509314086515588
Energy: 1.2383799947542957
Energy: 1.5109233861019233
Energy: 1.2388562014689304
Energy: 1.2385162984732836
Energy: 1.2835445679128534
Energy: 1.2389851042711977
Energy: 1.2388313810867435
Energy: 1.717432415103005
Energy: 1.2387981700593007
Energy: 1.239650734604961
Energy: 1.2463642068854495
Energy: 1.2388523412645964
Energy: 1.238854559964772
Energy: 1.4952569502957809
Energy: 1.2043904417192917
Energy: 1.2459960769048355
Energy: 1.2463494202015266
Energy: 1.203566622725185
Energy: 1.203799730979316
Energy: 1.4857169941718624
Energy: 1.2045467395535132
Energy: 1.1356579772959388
Energy: 1.1495412161488088
Energy: 1.2038666477330255
Energy: 1.2037645018494396
Energy: 1.7196325822123293
Energy: 1.2125824041971065
Energy: 1.136035822214922
Energy: 1.1600295097092943
Energy: 1.203352851076363
Energy: 1.2383718054020818
Energy: 1.7226237575362908
Energy: 1.2059706841118467
Energy: 1.088117796572516
Energy: 1.1250877376817443
Energy: 1.088925515962479
Energy: 1.2358511842087345
Energy: 1.6982152315027377
Energy: 1.0854408240605358
Energy: 1.0870719610532256
Energy: 0.9916533340165946
Energy: 1.0850470480691614
Energy: 1.2029403668846117
Energy: 1.7214455160324207
Energy: 1.0890160926597807
Energy: 1.0855557188844092
Energy: 0.995397649325322
Energy: 1.0881383535971698
Energy: 1.235020591340201
Energy: 1.7189387829799896
Energy: 1.192402405292222
Energy: 0.9947514360338671
Energy: 0.994537379812159
Energy: 1.174189254128868
Energy: 1.2344212255065106
Energy: 1.715341061713309
Energy: 1.0840261073191515
Energy: 0.9952355009673695
Energy: 0.9949938782348042
Energy: 1.0841455682487904
Energy: 1.1660291975397428

minimum gb energy = 0.9916533340165946 eV
minimum distance =  2.16728866320386 Angstroms
sigma value = 33


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

Energy: 1.9406069274345898
Energy: 1.0269139426617497
Energy: 0.8900453280036106
Energy: 1.0259973152291644
Energy: 0.8891152444613294
Energy: 1.0768568071784812
Energy: 2.0204912652545994
Energy: 1.0690825508279662
Energy: 0.958160886741715
Energy: 0.9772441998693894
Energy: 0.96023019792841
Energy: 1.069873317606492
Energy: 2.0307507638704747
Energy: 1.0681429148089967
Energy: 1.058346716461747
Energy: 0.9961552825383135
Energy: 1.043198472875911
Energy: 1.083915529036451
Energy: 1.7139659662274753
Energy: 1.0433952316819388
Energy: 0.9854573503563117
Energy: 0.9923795369479073
Energy: 1.0429205635125571
Energy: 1.0681142290463963
Energy: 1.7068344603475272
Energy: 1.0413989012382063
Energy: 1.0658662884658119
Energy: 1.0658199964466832
Energy: 1.0434013724160773
Energy: 1.0687715435075293
Energy: 2.0209135460868475
Energy: 1.0826248082427714
Energy: 1.0841938301583116
Energy: 1.1300067262441749
Energy: 1.0866688584589363
Energy: 1.0840402012218757
Energy: 1.8434891088669345
Energy: 1.1122984272315468
Energy: 1.08400609094565
Energy: 1.0991245459381287
Energy: 1.0829284824563028
Energy: 1.1098156269179842
Energy: 1.381427413953254
Energy: 1.0824474408875728
Energy: 1.0930411793671564
Energy: 1.0681108132808756
Energy: 1.0819467388721458
Energy: 1.0935002739177269
Energy: 1.861263574866886
Energy: 1.0974525596704174
Energy: 1.082556034742527
Energy: 1.0827524813129505
Energy: 1.1136926908851101
Energy: 1.0995935541417028
Energy: 1.6838487277016176
Energy: 1.0965802489866532
Energy: 1.0952330022510308
Energy: 1.0967407283761692
Energy: 1.0961537749729255
Energy: 1.095280787873497
Energy: 1.4106005680895959
Energy: 1.097123839601804
Energy: 1.0982382635553305
Energy: 1.1110016028956882
Energy: 1.0969200589643133
Energy: 1.0952022611385244
Energy: 1.4306351092217842
Energy: 1.0965302193934459
Energy: 1.0962857859352784
Energy: 1.0961824142413183
Energy: 1.0969304787311425
Energy: 1.0945087298495382
Energy: 1.5306006245398824
Energy: 1.0838206302956281
Energy: 1.1123590364538174
Energy: 1.0966888452976633
Energy: 1.0820854257412476
Energy: 1.0831402907226821
Energy: 1.2827855051704131
Energy: 1.0849728615858836
Energy: 1.0831405463464936
Energy: 1.0957143357163124
Energy: 1.082456873514477
Energy: 1.1014232877942605
Energy: 1.1436000899731527
Energy: 1.083426331100474
Energy: 1.1164681589592875
Energy: 1.0974625406648473
Energy: 1.109978206700973
Energy: 1.1020255552824216
Energy: 1.2452930624268834
Energy: 1.089646175017645
Energy: 1.0844527306227894
Energy: 1.095583271446689
Energy: 1.0837559263027012
Energy: 1.067419299318177
Energy: 1.224424384775328
Energy: 1.0651038157379982
Energy: 1.0821887589986248
Energy: 1.0812628545613536
Energy: 1.0422464853291549
Energy: 1.0671776603783325
Energy: 1.0233527070644235
Energy: 1.0429641525622184
Energy: 1.0451876594235676
Energy: 1.0970706275012827
Energy: 1.0429943423871388
Energy: 0.9855672874530461
Energy: 1.0330142023069824
Energy: 0.9854381309909532
Energy: 1.0678216608331423
Energy: 1.0824186658955925
Energy: 1.0434063425557343
Energy: 0.9944709361579183
Energy: 0.9830370174156896
Energy: 0.9727494426787376
Energy: 0.9697846218451579
Energy: 1.0851660947382313
Energy: 0.9525737192357326
Energy: 0.9727861228472503
Energy: 0.8865820038353652
Energy: 0.952499580070429
Energy: 1.0423014559682977
Energy: 1.0832715336238385
Energy: 0.9535906143400805
Energy: 0.8905386142129837
Energy: 0.8914524828939488
Energy: 0.9550750832308081
Energy: 1.0688242827580337
Energy: 1.0696311961048581
Energy: 1.0190587910333746
Energy: 0.8920499191243265
Energy: 0.8916728116644561
Energy: 0.9525860835617934
Energy: 1.069098935312747
Energy: 1.0840993878870095
Energy: 1.0346923849693075
Energy: 0.8913517163605832
Energy: 0.8872744996603501
Energy: 0.8956140497722263
Energy: 1.0664805227577754
Energy: 1.0660098389277877
Energy: 0.9567891758950711
Energy: 0.8932981928521617
Energy: 0.9849087057846517
Energy: 0.9548598366782166
Energy: 1.0685514340338873
Energy: 1.0953767287670784
Energy: 0.9718601248066766
Energy: 0.9735908596976838
Energy: 0.9927581922387989
Energy: 1.0419040113613307
Energy: 1.0686899515389303
Energy: 1.0819111160548236
Energy: 1.043672618224421
Energy: 0.9942765517194507
Energy: 0.9973053682921236
Energy: 1.042605267260418
Energy: 1.0411135060250114
Energy: 1.1119665053196892
Energy: 1.0427128584990497
Energy: 0.9869701145887205
Energy: 1.2244692504656751
Energy: 1.042688407188704
Energy: 1.066989939620757
Energy: 1.0937898896775151
Energy: 1.042390745933134
Energy: 1.0650689419773507
Energy: 1.2759875523442679
Energy: 1.0821472491044162
Energy: 1.084281181706077
Energy: 1.094501279063351
Energy: 1.082812396870663
Energy: 1.11711531739644
Energy: 1.3599515768763364
Energy: 1.0832164810799227
Energy: 1.1099699995529921
Energy: 1.0978398908632956
Energy: 1.1130278704605348
Energy: 1.0815864955034111
Energy: 1.2789144172622118
Energy: 1.0825378248911048
Energy: 1.0926571715946032
Energy: 1.092673538916522
Energy: 1.082695350213403
Energy: 1.0823736323128441
Energy: 1.5371716938062154
Energy: 1.0816468064287652
Energy: 1.1161562978554365
Energy: 1.0981776416909095
Energy: 1.1125597299642143
Energy: 1.0818430562738917
Energy: 1.5342863896398011
Energy: 1.09595199037288
Energy: 1.095672558975558
Energy: 1.0969643985008741
Energy: 1.0960168630150808
Energy: 1.0959450615348547
Energy: 1.5351632965590527
Energy: 1.0960873153048833
Energy: 1.094625548213492
Energy: 1.094399043514124
Energy: 1.0968288677852833
Energy: 1.0951498798362849
Energy: 1.8546644012022393
Energy: 1.0961158169494005
Energy: 1.0951251475546675
Energy: 1.0963331451399763
Energy: 1.0964818220050263
Energy: 1.095059438084805
Energy: 1.8678843827490939
Energy: 1.1231828442910268
Energy: 1.081645410743042
Energy: 1.0830756807159432
Energy: 1.0819829508341232
Energy: 1.0992972201131612
Energy: 1.5918625012966154
Energy: 1.083525183380908
Energy: 1.0818511402312574
Energy: 1.0515928080275267
Energy: 1.0835303780516707
Energy: 1.0948815109373136
Energy: 1.8429807838898324
Energy: 1.1132093629738633
Energy: 1.0959361694302563
Energy: 1.1063888590289557
Energy: 1.091232254847572
Energy: 1.1213303490978774
Energy: 2.0184810390031105
Energy: 1.0825290015819042
Energy: 1.1095007447269616
Energy: 1.0659749136534984
Energy: 1.0828125715682595
Energy: 1.0839702469589598
Energy: 1.8621995022667335
Energy: 1.0421814064753907
Energy: 1.0664877058048912
Energy: 1.0676318472641417
Energy: 1.04273857942473
Energy: 1.0827541712558058
Energy: 1.859575202061912
Energy: 1.0430630261644664
Energy: 0.985348599296885
Energy: 0.9962070206044127
Energy: 1.0424586251062564
Energy: 1.04252386220288
Energy: 2.025010429660182
Energy: 1.0683635997636793
Energy: 0.9851182520205897
Energy: 0.9917054289814374
Energy: 1.042635374853688
Energy: 1.0686310750974235
Energy: 2.1878946387085834
Energy: 0.9858041006348132
Energy: 0.9726774261716317
Energy: 0.9733202612627064
Energy: 0.9541042580764898
Energy: 1.06907592678652
Energy: 1.841531907995475
Energy: 0.953137570758535
Energy: 0.8893827501362562
Energy: 0.8886503688668658
Energy: 0.9525223344318923
Energy: 1.0841199396830132
Energy: 2.0069723534042354
Energy: 1.0716450607148
Energy: 0.9533762608625638
Energy: 0.8887751149861254
Energy: 0.952883694999357
Energy: 1.0702536040344708
Energy: 2.020250874249518
Energy: 1.0691316794107528
Energy: 0.8903295157855727
Energy: 0.8884221796299646
Energy: 0.9532719577197233
Energy: 1.0682959545156194
Energy: 2.0375025911161937
Energy: 0.9537079931784678
Energy: 0.8884779768923883
Energy: 0.8865889290367441
Energy: 0.953857992411112
Energy: 1.0664887183601295

minimum gb energy = 0.8865820038353652 eV
minimum distance =  2.23332124760876 Angstroms
sigma value = 67


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

Energy: 0.33731425997814635
Energy: 0.2948686195265485
Energy: 0.42263120913050467
Energy: 0.4226536805428491
Energy: 0.4213198129024004
Energy: 0.29424897488165275
Energy: 0.27814532417019133
Energy: 0.4213464152584926
Energy: 0.4059695092380387
Energy: 0.40603508193290266
Energy: 0.40662880126489087
Energy: 0.42161007437161585
Energy: 1.4713534763006215
Energy: 0.40593658832238216
Energy: 0.40602450065190954
Energy: 0.40609133484070803
Energy: 0.40535210560693596
Energy: 0.4063548393349008
Energy: 0.2787273875676678
Energy: 0.40565548633114534
Energy: 0.40609965367587386
Energy: 0.40616187717100244
Energy: 0.40503981812177103
Energy: 0.278049065227868
Energy: 0.27802041171976793
Energy: 0.4050871235181702
Energy: 0.40581954752081056
Energy: 0.4060677619823794
Energy: 0.40435515439682257
Energy: 0.27816066390110566
Energy: 1.4712639867841844
Energy: 0.40556159646296114
Energy: 0.406174490153198
Energy: 0.40678948504755347
Energy: 0.40526234850326986
Energy: 0.4061952358698437
Energy: 0.2780222690154508
Energy: 0.4215490412107965
Energy: 0.4060145198844677
Energy: 0.40626300217473976
Energy: 0.40616256328917133
Energy: 0.42159094302104316

minimum gb energy = 0.27802041171976793 eV
minimum distance =  2.40336275905318 Angstroms
sigma value = 3


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

Energy: 2.007939338765964
Energy: 1.0348396204143755
Energy: 0.872222865578598
Energy: 1.0418610432255846
Energy: 0.9607202445140065
Energy: 1.0688065965455278
Energy: 1.9828989762793383
Energy: 1.045462165068369
Energy: 0.8587391078170139
Energy: 0.8600007152389747
Energy: 0.8557936948467655
Energy: 1.0483814750000058
Energy: 1.6484943105512557
Energy: 1.029358604105355
Energy: 0.8650088733372141
Energy: 0.8670177249942435
Energy: 0.865305925806339
Energy: 1.0288850284072901
Energy: 2.12678949182558
Energy: 0.9573566894895382
Energy: 0.8569797813204293
Energy: 0.8602277385276568
Energy: 0.8584734514832859
Energy: 1.0480197167873933
Energy: 2.1169752985177013
Energy: 0.9535469268006891
Energy: 0.9571500130999916
Energy: 0.9514628628390056
Energy: 0.9480647777234913
Energy: 1.0475643845861973
Energy: 1.6495897517356135
Energy: 1.0378781167422602
Energy: 0.9531743437250292
Energy: 0.9556623797177397
Energy: 0.9483423786202633
Energy: 1.0518517401308636
Energy: 1.9709569892848164
Energy: 1.0498812926736623
Energy: 0.9579562646600698
Energy: 0.964027474559859
Energy: 0.9610530290516506
Energy: 1.053752860517219
Energy: 1.8376541266180006
Energy: 1.047740952090782
Energy: 1.0595139210661475
Energy: 1.0824573080060154
Energy: 1.044785480223776
Energy: 1.0683885047010278
Energy: 1.972282572902099
Energy: 1.055429465320928
Energy: 1.0569418232090537
Energy: 1.0461824144682828
Energy: 1.0540092322810783
Energy: 1.0517949343809587
Energy: 1.648076173089038
Energy: 1.0714315416724318
Energy: 1.0442297824315394
Energy: 1.0576361628001016
Energy: 1.0459716261002
Energy: 1.082378271252502
Energy: 1.8238395812970243
Energy: 1.0695615978835342
Energy: 1.0835631958551346
Energy: 1.2009087922020991
Energy: 1.0822277794093251
Energy: 1.073144915495825
Energy: 1.8079648085347413
Energy: 1.0796414231810552
Energy: 1.075384130950351
Energy: 1.1086627583447823
Energy: 1.0760748239076616
Energy: 1.079273914579643
Energy: 1.7937703890382926
Energy: 1.0833763203955125
Energy: 1.0719301373140597
Energy: 1.09590571561448
Energy: 1.0857048680391619
Energy: 1.0854531998220003
Energy: 1.7957690001098405
Energy: 1.0799858454699958
Energy: 1.0912874422941046
Energy: 1.1261817221839798
Energy: 1.0912767154741163
Energy: 1.076172565783694
Energy: 1.5222992188144637
Energy: 1.0864212144591943
Energy: 1.0870772428842832
Energy: 1.127412402079124
Energy: 1.0877590668795978
Energy: 1.0775063934933622
Energy: 1.5200596052817748
Energy: 1.1036709793124302
Energy: 1.0757997630669278
Energy: 1.0735846233552304
Energy: 1.080015871094906
Energy: 1.086499685314619
Energy: 1.5100210974969857
Energy: 1.0914008766207353
Energy: 1.075716861016181
Energy: 1.0839228554076663
Energy: 1.078104104665789
Energy: 1.1037800428694373
Energy: 1.5206604748926518
Energy: 1.0781899292340966
Energy: 1.0835756919994994
Energy: 1.1260779436703776
Energy: 1.080017363961806
Energy: 1.0687931980488532
Energy: 1.5080330572807916
Energy: 1.0819881940311609
Energy: 1.082861691037224
Energy: 1.080213831766802
Energy: 1.0737090688715092
Energy: 1.0848006565106012
Energy: 1.243567734304514
Energy: 1.0807345210387276
Energy: 1.0677658369402898
Energy: 1.0736264639456252
Energy: 1.0677762208227317
Energy: 1.0804401012092064
Energy: 1.2161913891756884
Energy: 1.046712348321896
Energy: 1.077959830574731
Energy: 1.1012688014465513
Energy: 1.0714899589636873
Energy: 1.0433066720004698
Energy: 1.231768840282056
Energy: 1.0522288378867015
Energy: 1.0663014397120105
Energy: 1.0868983168391635
Energy: 1.05291483150003
Energy: 1.048636954210693
Energy: 0.974944362985595
Energy: 1.0529109021153917
Energy: 1.0621658570261658
Energy: 1.0729181785068518
Energy: 1.0448703328187516
Energy: 0.9660678389900941
Energy: 0.975723128827858
Energy: 0.9569778920937956
Energy: 1.0569092187094224
Energy: 1.0835088482835036
Energy: 1.0469123911298739
Energy: 0.9622126480851254
Energy: 0.9772874292627142
Energy: 0.9490872539481876
Energy: 1.0325030921866414
Energy: 1.0768736779615868
Energy: 0.949877385887523
Energy: 0.9466015958729583
Energy: 0.9704381316311743
Energy: 0.9465162338495754
Energy: 1.0311446109555436
Energy: 1.0608415160540632
Energy: 0.9492372081348934
Energy: 0.9497472304898895
Energy: 0.8574149202131767
Energy: 0.8550745840273687
Energy: 1.0258937609840033
Energy: 1.062072102045215
Energy: 0.9480777986148198
Energy: 0.8571055850248193
Energy: 0.8669487521273659
Energy: 0.8664006893894693
Energy: 1.027913561181665
Energy: 1.1101326774194937
Energy: 0.8663592281452128
Energy: 0.863102645304543
Energy: 0.8588383870421251
Energy: 0.8580273612557912
Energy: 1.0469565022695873
Energy: 1.0697686265573765
Energy: 0.9488856343207246
Energy: 0.8574279947514253
Energy: 1.0037729495368815
Energy: 0.9821193798808681
Energy: 1.0442578463142134
Energy: 1.0679967223423572
Energy: 0.9483416898078219
Energy: 0.971054371056437
Energy: 0.9783386918310609
Energy: 0.951425994364235
Energy: 1.059045195824395
Energy: 1.0781450074888295
Energy: 0.965140430320515
Energy: 0.9514650565741649
Energy: 0.9710586959218269
Energy: 0.9497534954688043
Energy: 1.0674136311976703
Energy: 1.0775453883399426
Energy: 0.9771544589526001
Energy: 0.9521173486423452
Energy: 0.9770953478038173
Energy: 0.9657692662464807
Energy: 1.0454611903579671
Energy: 1.0756003390483726
Energy: 1.045969536497274
Energy: 0.9599508513244276
Energy: 1.221042471981203
Energy: 1.0524003108484514
Energy: 1.043465460286456
Energy: 1.0661054131554193
Energy: 1.0433967899062784
Energy: 1.0479676244589866
Energy: 1.2239487617235274
Energy: 1.0540302663773717
Energy: 1.076971182122964
Energy: 1.127648943130281
Energy: 1.0495233433489732
Energy: 1.047826340733499
Energy: 1.2358029314709185
Energy: 1.0747839347406178
Energy: 1.0753972037510837
Energy: 1.076765248318387
Energy: 1.0674639882557562
Energy: 1.0890050129487525
Energy: 1.3782389429147668
Energy: 1.0814887097191974
Energy: 1.067750801468018
Energy: 1.074376523039505
Energy: 1.0698819333830145
Energy: 1.0753218635657322
Energy: 1.3790371077881143
Energy: 1.0807609845207153
Energy: 1.0829379474888126
Energy: 1.0847431721610563
Energy: 1.0946361325083012
Energy: 1.072823319439318
Energy: 1.5052464190641932
Energy: 1.0689379172538254
Energy: 1.0770494851866128
Energy: 1.0924663817444322
Energy: 1.0988019149662158
Energy: 1.074769976929121
Energy: 1.5181893695793207
Energy: 1.0903818326526025
Energy: 1.076021359896341
Energy: 1.1156898733062663
Energy: 1.0805253559129824
Energy: 1.1081545302232878
Energy: 1.662142439227227
Energy: 1.0889585587482165
Energy: 1.1016054287534014
Energy: 1.089118631874745
Energy: 1.088525596713635
Energy: 1.0822622581668786
Energy: 1.6644950462364638
Energy: 1.076050446778422
Energy: 1.0919147324600496
Energy: 1.1290143175144953
Energy: 1.0892123368532542
Energy: 1.0764462015788263
Energy: 1.6491139318483041
Energy: 1.072353918859621
Energy: 1.0681180009093527
Energy: 1.105079606410026
Energy: 1.0701115624048048
Energy: 1.0911000148525059
Energy: 1.9380246737459241
Energy: 1.083271955133832
Energy: 1.0807293885253393
Energy: 1.124283766219499
Energy: 1.0779983102573203
Energy: 1.0930115978826402
Energy: 1.6897662158650117
Energy: 1.0689904073183731
Energy: 1.0752251433360118
Energy: 1.096958918077108
Energy: 1.0811063325070924
Energy: 1.074721798123702
Energy: 1.9441587676751293
Energy: 1.0760170182980353
Energy: 1.0811823961050153
Energy: 1.0827939685766814
Energy: 1.080655289054225
Energy: 1.07732241442601
Energy: 1.6482717960090243
Energy: 1.055182319864035
Energy: 1.0459676588156066
Energy: 1.0734355270901397
Energy: 1.0528391207735845
Energy: 1.075052273293046
Energy: 1.9710655258283496
Energy: 1.0444724332644784
Energy: 1.052835167708053
Energy: 1.0588608324007707
Energy: 1.0444956316800988
Energy: 1.0595510782450086
Energy: 1.9728871946720572
Energy: 1.0458365280557482
Energy: 0.9578297502719987
Energy: 0.9683312866435938
Energy: 0.9659206973090542
Energy: 1.0581344114066211
Energy: 1.649257186292655
Energy: 1.045218916652715
Energy: 0.9486010856835917
Energy: 0.9491596645637903
Energy: 0.9504211451187083
Energy: 1.0650897366127245
Energy: 1.982603822298677
Energy: 0.9537188991930687
Energy: 0.9468048412243426
Energy: 0.9864941914922214
Energy: 0.9488446726757507
Energy: 1.077414181061824

minimum gb energy = 0.8550745840273687 eV
minimum distance =  2.19812585784114 Angstroms
sigma value = 81


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

Energy: 2.142959934402035
Energy: 1.1897978409890058
Energy: 0.9784134474786471
Energy: 0.960286424027773
Energy: 1.1035137341813261
Energy: 1.221136238996524
Energy: 1.7040105947993713
Energy: 1.0989895885487622
Energy: 0.9570749397417435
Energy: 0.9625400997587304
Energy: 0.958430550318267
Energy: 1.204418640105761
Energy: 1.681879575545464
Energy: 1.0800284996722296
Energy: 0.9657870876308868
Energy: 0.9657871986696682
Energy: 0.9669579213281091
Energy: 1.1839266316986021
Energy: 1.7152453263914398
Energy: 1.0789416364445854
Energy: 0.9589322581108689
Energy: 0.9581229244742775
Energy: 0.9578025532898236
Energy: 1.196111123832608
Energy: 1.7140622669959977
Energy: 1.0805070827724788
Energy: 1.0974884443991584
Energy: 1.0828440941645736
Energy: 1.0798835969802365
Energy: 1.2033878384934666
Energy: 1.6783593990767713
Energy: 1.0792536549091987
Energy: 1.0797957428215246
Energy: 1.0820386768791037
Energy: 1.077886214780754
Energy: 1.2265425226604858
Energy: 1.7044728606303416
Energy: 1.2074090158918203
Energy: 1.0884158626389324
Energy: 1.080487582837832
Energy: 1.103345784554204
Energy: 1.2075897859134235
Energy: 1.6812737952293726
Energy: 1.198383825302264
Energy: 1.2224588542206114
Energy: 1.1039031823396055
Energy: 1.2030168581295162
Energy: 1.2115252603521964
Energy: 1.6726535869130164
Energy: 1.2449113044857179
Energy: 1.2073535612878916
Energy: 1.1899873221185893
Energy: 1.2182135154035774
Energy: 1.2096793718199301
Energy: 1.4907637536201597
Energy: 1.2211310344764141
Energy: 1.1969614632087358
Energy: 1.208914634486723
Energy: 1.2069571390396139
Energy: 1.221123964716278
Energy: 1.4714707001957872
Energy: 1.2200387119913239
Energy: 1.229207671465973
Energy: 1.3891193928307997
Energy: 1.2317764286523947
Energy: 1.214285925900288
Energy: 1.303445983407562
Energy: 1.2313138154642316
Energy: 1.2290102339366398
Energy: 1.250133610158785
Energy: 1.2302975137087973
Energy: 1.2294187151364881
Energy: 1.4882690165328258
Energy: 1.2293220457927052
Energy: 1.2200937091565176
Energy: 1.2091760924280706
Energy: 1.2295579803666734
Energy: 1.234037810866204
Energy: 1.4595884260549163
Energy: 1.2040251142073706
Energy: 1.2227504734379984
Energy: 1.2209340576576564
Energy: 1.2327576259761028
Energy: 1.210843847073016
Energy: 1.46395556111795
Energy: 1.2072700272483008
Energy: 1.2393404891077535
Energy: 1.272273680795566
Energy: 1.2082656117982542
Energy: 1.1982082839321988
Energy: 1.1291495847722954
Energy: 1.2188728673274831
Energy: 1.207667573300433
Energy: 1.2178501344023973
Energy: 1.2066709932390598
Energy: 1.2305864661243215
Energy: 1.109990577044231
Energy: 1.0881762012860379
Energy: 1.2079503355673074
Energy: 1.2164612252968636
Energy: 1.1990067834296556
Energy: 1.089133877928466
Energy: 1.1141940449100636
Energy: 1.0801186957750364
Energy: 1.183497676792378
Energy: 1.2347040270872105
Energy: 1.0790362477426005
Energy: 1.0780235683847867
Energy: 1.112232509752236
Energy: 1.0785225880761258
Energy: 1.1789763022678224
Energy: 1.207818609580429
Energy: 1.0780653779505749
Energy: 1.0787032317974208
Energy: 0.958913927359493
Energy: 0.9579387994083565
Energy: 1.1787389671539348
Energy: 1.2074671670631452
Energy: 1.0783099830993037
Energy: 0.9568149179651262
Energy: 0.9672594056966469
Energy: 0.966804768642546
Energy: 1.1839866837103705
Energy: 1.2728555319417987
Energy: 0.9660563675115279
Energy: 0.9658794285497503
Energy: 0.9604065838393113
Energy: 0.9604810752278423
Energy: 1.187337872383766
Energy: 1.2232212407705199
Energy: 1.096135682873857
Energy: 0.9582606196353718
Energy: 0.9756453145509201
Energy: 0.9765217305814529
Energy: 1.2091039484406438
Energy: 1.2426377776219697
Energy: 1.1032921109381848
Energy: 0.976462307733593
Energy: 1.1196063430239822
Energy: 1.0796621230547658
Energy: 1.1870405956323835
Energy: 1.2217644114782187
Energy: 1.0957913986289116
Energy: 1.0786391639778519
Energy: 1.1117492155014426
Energy: 1.077535950898086
Energy: 1.2285960921632122
Energy: 1.272566031724059
Energy: 1.0784787103351237
Energy: 1.085508756061727
Energy: 1.1285136364380237
Energy: 1.1016097187435359
Energy: 1.2068880215295361
Energy: 1.2112090915598397
Energy: 1.202994472802269
Energy: 1.1007489394540282
Energy: 1.3025664182947065
Energy: 1.2031478593288198
Energy: 1.2077465994912644
Energy: 1.211380224540584
Energy: 1.2068188182771393
Energy: 1.204420461131644
Energy: 1.269925947976618
Energy: 1.2081364448035397
Energy: 1.2076594372798148
Energy: 1.4027805805430131
Energy: 1.209401979171016
Energy: 1.2084379220215693
Energy: 1.4659467959711536
Energy: 1.2183755543424444
Energy: 1.2218170804646462
Energy: 1.228823477951001
Energy: 1.2193548843261002
Energy: 1.2208286728341937
Energy: 1.4824538326207513
Energy: 1.2466255678922658
Energy: 1.221329319490694
Energy: 1.1979061004751237
Energy: 1.227551256390893
Energy: 1.2304563234810806
Energy: 1.691545302858616
Energy: 1.2275041950198218
Energy: 1.2449228649243995
Energy: 1.2524781463727324
Energy: 1.2294574932061644
Energy: 1.2094241852717245
Energy: 1.6833762629701847
Energy: 1.2199800575076236
Energy: 1.211643520628866
Energy: 1.2035739209015375
Energy: 1.2313393284717467
Energy: 1.221358592133188
Energy: 1.6818907702237338
Energy: 1.2071181449836108
Energy: 1.1981586430142719
Energy: 1.2288483062036688
Energy: 1.209357247071823
Energy: 1.2211266495689703
Energy: 1.672770725952383
Energy: 1.2076703117918686
Energy: 1.2031968881319997
Energy: 1.2112621307395002
Energy: 1.2033093824771257
Energy: 1.2178263112413485
Energy: 1.669345279987926
Energy: 1.1969594495283835
Energy: 1.1015481609947295
Energy: 1.1007274563800036
Energy: 1.221237850597253
Energy: 1.2089232279955116
Energy: 1.6825374896290608
Energy: 1.2203853587462994
Energy: 1.0768469816699668
Energy: 1.080729781646769
Energy: 1.0780280328910243
Energy: 1.2297123704454789
Energy: 1.7193037718189075
Energy: 1.201067998783558
Energy: 1.0788388006120808
Energy: 1.082724763710732
Energy: 1.0801584562503714
Energy: 1.2256663159626613
Energy: 1.6583265675784713
Energy: 1.0771202138760003
Energy: 1.0812492731931704
Energy: 0.9769928719164733
Energy: 1.078942886183412
Energy: 1.2074851331344794

minimum gb energy = 0.9568149179651262 eV
minimum distance =  2.27938173764304 Angstroms
sigma value = 43


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

Energy: 1.965143800962758
Energy: 1.3037699564439837
Energy: 1.0316351278981908
Energy: 1.031775553410694
Energy: 1.1816929342731255
Energy: 1.3276458490897258
Energy: 1.48641440360278
Energy: 1.17536768056249
Energy: 1.030470251514746
Energy: 1.0307106651197662
Energy: 1.0311013432735792
Energy: 1.305146763230362
Energy: 1.4397978654208874
Energy: 1.1756145999570435
Energy: 1.0383092464582189
Energy: 1.037710697795266
Energy: 1.0379777380087263
Energy: 1.299703342413133
Energy: 1.6955065664179547
Energy: 1.1756098934973855
Energy: 1.0292503734500456
Energy: 1.0290751930231996
Energy: 1.0311168160491513
Energy: 1.3080604219899556
Energy: 1.696217905513138
Energy: 1.1759132138684927
Energy: 1.1839610085903707
Energy: 1.1834792581149294
Energy: 1.1747583965591848
Energy: 1.3146068978479966
Energy: 1.4600022067031506
Energy: 1.1751573420605836
Energy: 1.1798062420469189
Energy: 1.179020818540687
Energy: 1.1774091361434216
Energy: 1.3428931925289587
Energy: 1.4886091424211498
Energy: 1.3309853156312486
Energy: 1.2000693008994179
Energy: 1.1780939077753565
Energy: 1.1826600579397284
Energy: 1.3232616265879362
Energy: 1.6625513810547234
Energy: 1.3094231020759537
Energy: 1.3419600080832013
Energy: 1.2455459425363093
Energy: 1.309555174433461
Energy: 1.3130029819703342
Energy: 1.4597513950819596
Energy: 1.3161094010618188
Energy: 1.3568605758546763
Energy: 1.3103501281183507
Energy: 1.316511125283295
Energy: 1.3184025321908903
Energy: 1.4489086330957492
Energy: 1.318649667275905
Energy: 1.3154093173150825
Energy: 1.3091962317363024
Energy: 1.3156847087076873
Energy: 1.32704965915067
Energy: 1.6851074682605702
Energy: 1.3114635110663
Energy: 1.3360468398148602
Energy: 1.3592165820030955
Energy: 1.3156098231195685
Energy: 1.3147314453082062
Energy: 1.6703882535289531
Energy: 1.3090468589822717
Energy: 1.3165875615042164
Energy: 1.3251585109616268
Energy: 1.3156446309488325
Energy: 1.3269922071257036
Energy: 1.2214257161389521
Energy: 1.1986725235330926
Energy: 1.3176036620267009
Energy: 1.3399036931433288
Energy: 1.310385619149365
Energy: 1.1990815797738046
Energy: 1.2222545993471623
Energy: 1.1743419693651356
Energy: 1.3435838525155324
Energy: 1.3358547616128968
Energy: 1.302994074405127
Energy: 1.1752060067759038
Energy: 1.2244069552112329
Energy: 1.1758997535024476
Energy: 1.2981628443289635
Energy: 1.3251106573709304
Energy: 1.1973989873414124
Energy: 1.1763749351697628
Energy: 1.0293814410554518
Energy: 1.1835173345158574
Energy: 1.3014671638365634
Energy: 1.3292520638436118
Energy: 1.1748900252721524
Energy: 1.183188446370238
Energy: 1.0310093590767955
Energy: 1.030542230527082
Energy: 1.3041469172939069
Energy: 1.3585029877598138
Energy: 1.1755286500484878
Energy: 1.03034188659258
Energy: 1.0385148419287362
Energy: 1.037794790896303
Energy: 1.2996053300341193
Energy: 1.3760017144519099
Energy: 1.0510253586584157
Energy: 1.0377780985349492
Energy: 1.0297300847175852
Energy: 1.0294293502127028
Energy: 1.1755904526681296
Energy: 1.3080030664724231
Energy: 1.175157634989772
Energy: 1.0293280063244103
Energy: 1.2696802891215666
Energy: 1.1837467876158059
Energy: 1.176177498604338
Energy: 1.3080070742626693
Energy: 1.1755576558661103
Energy: 1.182891373671611
Energy: 1.2235026548748635
Energy: 1.1786544526112113
Energy: 1.2997449322627115
Energy: 1.3360707479665215
Energy: 1.175890831345756
Energy: 1.173634513592967
Energy: 1.2222552658897603
Energy: 1.1851984890565523
Energy: 1.315674057323123
Energy: 1.4351823356739772
Energy: 1.198497983232323
Energy: 1.1786477079835431
Energy: 1.223039111445758
Energy: 1.3266340269337826
Energy: 1.3248511097675246
Energy: 1.3182474948520835
Energy: 1.2014449501299382
Energy: 1.199392347413928
Energy: 1.4169568486603796
Energy: 1.3316228607239058
Energy: 1.3158898084212245
Energy: 1.3552470374017775
Energy: 1.317758956246312
Energy: 1.3095385637051138
Energy: 1.4507213260989478
Energy: 1.3314429128056453
Energy: 1.339794845863372
Energy: 1.3260495382285538
Energy: 1.3154294727961582
Energy: 1.3183881105005373
Energy: 1.4493367150837722
Energy: 1.3156316947955835
Energy: 1.3127320066030645
Energy: 1.3372029299672406
Energy: 1.317500231007451
Energy: 1.3392712428788534
Energy: 1.406512869046632
Energy: 1.315515867647732
Energy: 1.3086330763708092
Energy: 1.3242092817314794
Energy: 1.3105345871138203
Energy: 1.3163439213086587
Energy: 1.9289371359921887
Energy: 1.3094567939525672
Energy: 1.1988228156404315
Energy: 1.1805091598462243
Energy: 1.3260224663862852
Energy: 1.3132292759384008
Energy: 1.4491323364041744
Energy: 1.3103413975964626
Energy: 1.1743319253991746
Energy: 1.1761642864024986
Energy: 1.174314579150843
Energy: 1.3368915420357168
Energy: 1.4496065803034726
Energy: 1.173412417660596
Energy: 1.2000403183270412
Energy: 1.1794107115007788
Energy: 1.178341457068043
Energy: 1.3006114411319945
Energy: 1.9093955101767013
Energy: 1.175182098894819
Energy: 1.1829743686448198
Energy: 1.1828792128789247
Energy: 1.1752090845901129
Energy: 1.288779026093047

minimum gb energy = 1.0290751930231996 eV
minimum distance =  2.23632980753423 Angstroms
sigma value = 57


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

Energy: 1.6858320823946564
Energy: 1.474084936500136
Energy: 1.1362843209073592
Energy: 1.1286680605050485
Energy: 1.310422370351762
Energy: 1.4748425970788028
Energy: 1.6479024895842191
Energy: 1.3120764023747786
Energy: 1.1411969638892419
Energy: 1.1329307637714223
Energy: 1.1413653615629515
Energy: 1.4344422028147972
Energy: 1.674877971433351
Energy: 1.31146726554161
Energy: 1.1542288664890004
Energy: 1.1373560216401186
Energy: 1.1404639093213444
Energy: 1.4315800037283257
Energy: 1.6631430042893058
Energy: 1.3051468780796882
Energy: 1.140968846201173
Energy: 1.12781617110396
Energy: 1.1373287459077812
Energy: 1.4286767067726422
Energy: 1.6597761614621676
Energy: 1.3041993097793096
Energy: 1.3105459537920847
Energy: 1.3067673050211226
Energy: 1.3102243340555335
Energy: 1.4286474394102853
Energy: 1.6740598487179157
Energy: 1.3085250953982743
Energy: 1.2983759150713667
Energy: 1.3046520957808536
Energy: 1.2981246810580682
Energy: 1.4815106116412322
Energy: 1.6765781574174714
Energy: 1.4581781221358143
Energy: 1.3191494843783966
Energy: 1.3165328402270973
Energy: 1.3052596426158802
Energy: 1.466430244655491
Energy: 1.3806332761184688
Energy: 1.4306437659699214
Energy: 1.467938478587579
Energy: 1.1370946261418975
Energy: 1.4768556247526476
Energy: 1.4327712842025435
Energy: 1.3896351569357763
Energy: 1.4776849407090222
Energy: 1.4280605098917425
Energy: 1.4833070115619447
Energy: 1.4545088244365303
Energy: 1.4680321207777904
Energy: 1.3877334121798555
Energy: 1.3053320879320927
Energy: 1.4307172856594643
Energy: 1.5663529310846542
Energy: 1.4312701680913942
Energy: 1.3155640835771307
Energy: 1.4091996537524922
Energy: 1.3092320629552057
Energy: 1.4311823280663099
Energy: 1.521589109919068
Energy: 1.3065692794739603
Energy: 1.3232355955140171
Energy: 1.3922176549695182
Energy: 1.3217321842480725
Energy: 1.3050000089851663
Energy: 1.4900143083188435
Energy: 1.3059589536596805
Energy: 1.3147311548702685
Energy: 1.130944249071254
Energy: 1.1383753536571963
Energy: 1.426993116295628
Energy: 1.4280694163330745
Energy: 1.3053866254948696
Energy: 1.1350176189023657
Energy: 1.1282676787002226
Energy: 1.161007555261526
Energy: 1.43219601067863
Energy: 1.5192342224086488
Energy: 1.1605367960457746
Energy: 1.1570623248562684
Energy: 1.1277640673983138
Energy: 1.144077516657262
Energy: 1.309863788003666
Energy: 1.511602289030156
Energy: 1.3321710646196145
Energy: 1.1264887069727245
Energy: 1.132370785325274
Energy: 1.3099620919589303
Energy: 1.4293262869481471
Energy: 1.4296549444721471
Energy: 1.3099844110652434
Energy: 1.133272157625154
Energy: 1.389785687291571
Energy: 1.30911775681131
Energy: 1.3277137070178946
Energy: 1.3129483816754504
Energy: 1.307995000375874
Energy: 1.3071520172850417
Energy: 1.387842654961391
Energy: 1.2968426050677748
Energy: 1.4698566225085499
Energy: 1.3172469871204129
Energy: 1.3071842963728009
Energy: 1.3167450550096602
Energy: 1.3900865476948352
Energy: 1.3132868230981474
Energy: 1.4683631000474295
Energy: 1.4966849043022954
Energy: 1.4313180794052116
Energy: 1.3161753948267532
Energy: 1.3892056294399338
Energy: 1.4540618677485564
Energy: 1.4309390394836021
Energy: 1.4569876172954408
Energy: 1.432002684282867
Energy: 1.4782360527895377
Energy: 1.6481751655574655
Energy: 1.4536905392447672
Energy: 1.315088456122869
Energy: 1.3333506350603497
Energy: 1.4534600587070208
Energy: 1.4373950258299357
Energy: 1.391546481763401
Energy: 1.4307956272621027
Energy: 1.3198284926886306
Energy: 1.311557951981117
Energy: 1.3042856413172819
Energy: 1.4788869054863902
Energy: 1.672829989416963
Energy: 1.3088024598132206
Energy: 1.3442057330776591
Energy: 1.3051728638557545
Energy: 1.324430808278102
Energy: 1.4314840042399137
Energy: 1.6457915920800261
Energy: 1.3054181560436653
Energy: 1.3101972676253995
Energy: 1.1351448242943962
Energy: 1.3095515683442298
Energy: 1.4280057710662097

minimum gb energy = 1.1264887069727245 eV
minimum distance =  2.23152080529843 Angstroms
sigma value = 17


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

Energy: 2.3126579039620228
Energy: 1.6157278370360886
Energy: 1.264561422606005
Energy: 1.445966974251727
Energy: 1.4584495201227161
Energy: 1.6142583948988622
Energy: 1.2475250846286279
Energy: 1.4711372259068096
Energy: 1.254238980203855
Energy: 1.2524345545050086
Energy: 1.2549200875851554
Energy: 1.6153021416918807
Energy: 1.2660350694289524
Energy: 1.4685432139320653
Energy: 1.274598543302893
Energy: 1.2378612188417493
Energy: 1.2708061089168632
Energy: 1.4679184173979034
Energy: 1.6408245229106926
Energy: 1.4596772007674061
Energy: 1.2539045501164792
Energy: 1.2525187403330174
Energy: 1.4515288680647955
Energy: 1.457565327185586
Energy: 1.23679894369392
Energy: 1.4703037606507958
Energy: 1.446282695776464
Energy: 1.2539636421612201
Energy: 1.4463999825463696
Energy: 1.471102368778538
Energy: 1.2629587053055578
Energy: 1.472072871084512
Energy: 1.470101528748025
Energy: 1.2139358831521474
Energy: 1.4698588533577344
Energy: 1.460603416119034
Energy: 1.253165492441685
Energy: 1.4464061895437061
Energy: 1.4515772738345092
Energy: 1.2519662551569866
Energy: 1.4508803639151115
Energy: 1.4458990323856653
Energy: 1.2522295354376194
Energy: 1.468571388075631
Energy: 1.466265932702025
Energy: 1.2683374228154436
Energy: 1.4671077148938583
Energy: 1.4652571677332937
Energy: 1.2522426097684032
Energy: 1.4499863797189831
Energy: 1.6185596769382615
Energy: 1.6044146099224292
Energy: 1.458808813337532
Energy: 1.4475922406275759
Energy: 1.2525222474920283
Energy: 1.2604882539433853
Energy: 1.470866423052424
Energy: 1.2552119016319232
Energy: 1.4466234469673724
Energy: 1.2588298603664014
Energy: 1.2447708213279909
Energy: 1.2728558136476076
Energy: 1.473019166834574
Energy: 1.2664659289717108
Energy: 1.2713537213565673
Energy: 1.2686367787664754
Energy: 1.2365134784950573
Energy: 1.2614559499855764
Energy: 1.4703065859934732
Energy: 1.4318205878499521
Energy: 1.4511012018173888
Energy: 1.253528031723056
Energy: 1.268474415374879
Energy: 1.4530148577417241
Energy: 1.4601028287545463
Energy: 1.4316543030800455
Energy: 1.4565887454374091
Energy: 1.4506855381072679
Energy: 1.2135966367075208
Energy: 1.466252191852438
Energy: 1.4687984566797798
Energy: 1.2650236750329518
Energy: 1.4696138677304487
Energy: 1.2140983198852222
Energy: 1.2524538774943452
Energy: 1.4458729345793493
Energy: 1.4464816778178289
Energy: 1.2681392768682063
Energy: 1.3363458768013883
Energy: 1.4465435476966355
Energy: 1.264240833695197
Energy: 1.4698580197053575
Energy: 1.4692888477111157
Energy: 1.4465712446732608
Energy: 1.4705994526424662
Energy: 1.4537132599274185
Energy: 1.2517922787733804
Energy: 1.4496544820043962
Energy: 1.447186939711788
Energy: 1.2666419635769923
Energy: 1.4473228520757024
Energy: 1.6055059130814484

minimum gb energy = 1.2135966367075208 eV
minimum distance =  2.23780733065699 Angstroms
sigma value = 17


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

Energy: 1.6681404615936397
Energy: 1.3083464972050542
Energy: 1.3136903979291799
Energy: 1.3076480326236157
Energy: 1.3080514250914759
Energy: 1.741940459815233
Energy: 1.3288735056472891
Energy: 1.452200391788077
Energy: 1.301930429398412
Energy: 1.301858768233686
Energy: 1.3051390515306278
Energy: 1.457088491384894
Energy: 1.313664094464958
Energy: 1.459126582041694
Energy: 1.30585307650652
Energy: 1.3041552678032067
Energy: 1.3056844386901414
Energy: 1.6374818225323284
Energy: 1.8244395122837407
Energy: 1.603507887805782
Energy: 1.3230769934032838
Energy: 1.3204265064896052
Energy: 1.320466694299385
Energy: 1.6809164718632632
Energy: 1.4225394933167628
Energy: 1.6825386926271784
Energy: 1.6021981650172339
Energy: 1.3087845554636248
Energy: 1.6799957709381312
Energy: 1.6067706701986617
Energy: 1.313960695134279
Energy: 1.306125209681235
Energy: 1.6483809973923256
Energy: 1.520428737046147
Energy: 1.69930061856938
Energy: 1.309659445777467
Energy: 1.318016010740827
Energy: 1.3214784462300142
Energy: 1.604724266165038
Energy: 1.3096613855871375
Energy: 1.4738509735391558
Energy: 1.3214509626003437
Energy: 1.294531569252556
Energy: 1.303943705436816
Energy: 1.492940888730113
Energy: 1.3247049775069053
Energy: 1.3213876946118213
Energy: 1.3028188241657161
Energy: 1.3079862489475418
Energy: 1.3075105100430162
Energy: 1.5406845740096469
Energy: 1.6034389979746748
Energy: 1.4474936559996492
Energy: 1.3111733236439833
Energy: 1.4832496092127205
Energy: 1.4509009187612036
Energy: 1.4480859451720371
Energy: 1.405915272197118
Energy: 1.4550239761644246
Energy: 1.4450658982041564
Energy: 1.4894746021406107
Energy: 1.4521766381527346
Energy: 1.4609088930958303
Energy: 1.3099335994995622
Energy: 1.4521435787408803
Energy: 1.4520615582687784
Energy: 1.407472446543092
Energy: 1.4505238565873075
Energy: 1.536649193758958
Energy: 1.4045986225730114
Energy: 1.6124164590342993
Energy: 1.445508398592353
Energy: 1.354348124468407
Energy: 1.6062036693730681
Energy: 1.6099274258994474
Energy: 1.40318077179488
Energy: 1.6074847212546441
Energy: 1.631657722597132
Energy: 1.9908182516682345
Energy: 1.5367758032245824
Energy: 1.5203337770936838
Energy: 1.2845590794359223
Energy: 1.652566816713133
Energy: 1.7495725537933662
Energy: 1.5540062903443501
Energy: 1.536988342597571
Energy: 1.2778424225046496
Energy: 1.2797116713142356
Energy: 1.2775110533019194
Energy: 1.6066417681076612
Energy: 1.4028114924753723
Energy: 1.2808190015194933
Energy: 1.2849677201401546
Energy: 1.283377183168492
Energy: 1.2827161088609984
Energy: 1.5942561539551223
Energy: 1.81745572415664
Energy: 1.625738187443153
Energy: 1.2789866459776282
Energy: 1.2962234677952196
Energy: 1.2782941656348012
Energy: 1.6143750998312225
Energy: 1.8176849536548847
Energy: 1.626377946358446
Energy: 1.5366692907558028
Energy: 1.2930612142062659
Energy: 1.5383888239502437
Energy: 1.6033748528154395
Energy: 1.4932270586494045
Energy: 1.6045030993174871
Energy: 1.601806976769366
Energy: 1.5512439671187808
Energy: 1.6027135248578686
Energy: 1.3068231950572557
Energy: 1.4858611754252307
Energy: 1.4483256677644587
Energy: 1.5425629305969835
Energy: 1.4753909242475312
Energy: 1.6054005077433704
Energy: 1.4431120640317219
Energy: 1.4840930408261221
Energy: 1.451317010069224
Energy: 1.4554182180204216
Energy: 1.3053618033223122
Energy: 1.4517160014392165
Energy: 1.4461073857626245
Energy: 1.4448384428467524
Energy: 1.4496409370418037
Energy: 1.5636668394069684
Energy: 1.6726101021403637
Energy: 1.4464943792730833
Energy: 1.3037563568878774
Energy: 1.3029116359785309
Energy: 1.3050858701877848
Energy: 1.4520452568217526
Energy: 1.4583880982343755
Energy: 1.4444882327323292
Energy: 1.3019929086198045
Energy: 1.3001849978001794
Energy: 1.3044409591988195
Energy: 1.45924663080563
Energy: 1.3069076220180418
Energy: 1.303329557342934
Energy: 1.3046678456340526
Energy: 1.312304727964084
Energy: 1.3057910507952677
Energy: 1.6007935392483437
Energy: 1.583133477624324
Energy: 1.598764279780663
Energy: 1.3055408268007695
Energy: 1.3053994250648004
Energy: 1.6968114675035153
Energy: 1.605121495980014
Energy: 1.4028586522268898
Energy: 1.6931288640880788
Energy: 1.6820652392420345
Energy: 2.010336599406596
Energy: 1.6974699674761515
Energy: 1.6970156855483634
Energy: 1.3082663518795052
Energy: 1.6962038651568425
Energy: 1.6494527480784023
Energy: 1.2732530157667854
Energy: 1.6730336175400107
Energy: 1.3206064635141463
Energy: 1.3083121975184733
Energy: 1.3075594269074202
Energy: 1.6018388121537839
Energy: 1.3091677618890012
Energy: 1.309337369139408
Energy: 1.3070535811839579
Energy: 1.298005488373212
Energy: 1.3051416250045382
Energy: 1.407268252151087
Energy: 1.8160376566820398
Energy: 1.4446735752744937
Energy: 1.3047172360928034
Energy: 1.3023989186389913
Energy: 1.3048327877314958
Energy: 1.6053931692181431
Energy: 1.819646628980434
Energy: 1.4597588933016774
Energy: 1.4461935087795446
Energy: 1.4781756817557874
Energy: 1.4477470643820662
Energy: 1.6051002704802833
Energy: 1.3100404858092474
Energy: 1.452033921021199
Energy: 1.454841423117411
Energy: 1.295606544677193
Energy: 1.4570597911871386
Energy: 1.4638538689793699
Energy: 1.4741461595650762
Energy: 1.5427988736736666
Energy: 1.4444648493178542
Energy: 1.4394273123254813
Energy: 1.444407037151475
Energy: 1.5420760066986412
Energy: 1.8227794320012194
Energy: 1.6051825957756636
Energy: 1.5095391134686011
Energy: 1.3513785282668656
Energy: 1.6058825615781458
Energy: 1.6059881567073546
Energy: 1.3094365893316537
Energy: 1.5440173102226038
Energy: 1.660873505516901
Energy: 1.5292643130893127
Energy: 1.6250144138396148
Energy: 1.4043723098519743
Energy: 1.2915358699052049
Energy: 1.2820212019419954
Energy: 1.6113035348530114
Energy: 1.5278825244048184
Energy: 1.5394199545563492
Energy: 1.291083460772626
Energy: 1.2781916096778998
Energy: 1.2819964598816613
Energy: 1.5675943917379749
Energy: 1.3521562715912434
Energy: 1.2874303010545012
Energy: 1.2818256044179954
Energy: 1.288984496911233
Energy: 1.2791811893708183
Energy: 1.6074169539888947
Energy: 1.3028546934901337
Energy: 1.4007446128504126
Energy: 1.2795706041721904
Energy: 1.3097625512276154
Energy: 1.5184740726720483
Energy: 1.6956226754259875
Energy: 1.603738508994373
Energy: 1.5365960847665598
Energy: 1.2893097088582883
Energy: 1.654600712294555
Energy: 1.604084863835134
Energy: 1.6067332860355357
Energy: 1.3558272981205965
Energy: 1.6060202059642563
Energy: 1.6055994497837445
Energy: 1.4754682424332606
Energy: 1.6251202043084259
Energy: 1.4512120350007356
Energy: 1.4906407997903066
Energy: 1.4857160423661386
Energy: 1.5359499770314733
Energy: 1.4704487485604216
Energy: 1.4872285943082575
Energy: 1.4478751031989516
Energy: 1.2980886564272573
Energy: 1.4456099222003984
Energy: 1.5503008683795585
Energy: 1.6407560541302775
Energy: 1.4485912944754027
Energy: 1.4470360590011246
Energy: 1.4862492066446171
Energy: 1.447473922525691
Energy: 1.5549227649461712

minimum gb energy = 1.2732530157667854 eV
minimum distance =  2.16912841982712 Angstroms
sigma value = 57


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

Energy: 1.926950438731622
Energy: 1.7686479837840798
Energy: 1.4363003979834903
Energy: 1.5106454552538784
Energy: 1.6679892903690094
Energy: 1.8432336287011255
Energy: 1.381136708331306
Energy: 1.5038486253382055
Energy: 1.3565440968464966
Energy: 1.3190149557376447
Energy: 1.351484054223722
Energy: 1.5020785419042166
Energy: 1.348146085203708
Energy: 1.536792189854452
Energy: 1.3508105373606223
Energy: 1.30993498328471
Energy: 1.3368205070656818
Energy: 1.6717842954131716
Energy: 1.6348495316690073
Energy: 1.6621160445620207
Energy: 1.3980176288088055
Energy: 1.3449622684820104
Energy: 1.353035201707211
Energy: 1.6480493255621302
Energy: 1.6422876866816132
Energy: 1.6606588771390396
Energy: 1.6497968233351796
Energy: 1.6319902421061574
Energy: 1.646636486660868
Energy: 1.6481079419964109
Energy: 1.3375366665471093
Energy: 1.356078652760048
Energy: 1.6294370878498021
Energy: 1.6344681231821494
Energy: 1.7091927476315483
Energy: 1.3334793255240274
Energy: 1.3307441132782394
Energy: 1.3347134824925453
Energy: 1.6674565982444771
Energy: 1.646861437490583
Energy: 1.5291864017081316
Energy: 1.3420756953905777
Energy: 1.3271899391287236
Energy: 1.3397178802941057
Energy: 1.5452784635461185
Energy: 1.346444635137298
Energy: 1.3462507042090666
Energy: 1.3383611128594037
Energy: 1.3334625970337006
Energy: 1.3479673772919076
Energy: 1.6541574617960448
Energy: 1.4944665499487444
Energy: 1.5169688199204256
Energy: 1.339253444363208
Energy: 1.6405308491520916
Energy: 1.502837234126585
Energy: 1.5385263947892707
Energy: 1.527510816753214
Energy: 1.5041196804809538
Energy: 1.504397419865568
Energy: 1.3493497792106577
Energy: 1.5017968504465977
Energy: 1.5321027308477222
Energy: 1.3446374759170068
Energy: 1.500737046519753
Energy: 1.4986695151563392
Energy: 1.3464036023785808
Energy: 1.527286533658249
Energy: 1.507138823939444
Energy: 1.3292168341520194
Energy: 1.5106976244706183
Energy: 1.5334736218812093
Energy: 1.3559561182614186
Energy: 1.5203544644977756
Energy: 1.5033928845564413
Energy: 1.33472652191744
Energy: 1.507120532802007
Energy: 1.5298857039375484
Energy: 1.9303796953499295
Energy: 1.6173412243937009
Energy: 1.359348713229768
Energy: 1.356983991265399
Energy: 1.6043585626120793
Energy: 1.8147182310993792
Energy: 1.3979044678648909
Energy: 1.5099550317658994
Energy: 1.3570130717642943
Energy: 1.322943768390591
Energy: 1.3398454256465242
Energy: 1.5132725385426211
Energy: 1.3532941732802626
Energy: 1.5044242905257343
Energy: 1.3399290867874591
Energy: 1.3164120818686218
Energy: 1.3534574786848796
Energy: 1.5020056502232104
Energy: 1.6290674737906714
Energy: 1.6594055321015313
Energy: 1.3944495793753875
Energy: 1.337809060266757
Energy: 1.3413158216016488
Energy: 1.653080871881051
Energy: 1.6411626937413717
Energy: 1.6591064579032968
Energy: 1.6703391264145389
Energy: 1.3500222006488676
Energy: 1.6603102860601067
Energy: 1.6499492150858892
Energy: 1.3458938088750672
Energy: 1.7098782215129458
Energy: 1.63066500803673
Energy: 1.6358654755010182
Energy: 1.7097774329244826
Energy: 1.3503067304484488
Energy: 1.3273298841015981
Energy: 1.353145967773503
Energy: 1.6703794960418343
Energy: 1.5281172440620436
Energy: 1.527709730716419
Energy: 1.330565430229776
Energy: 1.3250612909206048
Energy: 1.338095968432663
Energy: 1.546334736748628
Energy: 1.3437412444148633
Energy: 1.343735322257872
Energy: 1.3454912011096531
Energy: 1.3378799390251574
Energy: 1.3430210708333379
Energy: 1.6743513340405436
Energy: 1.5251494935707144
Energy: 1.5386950610792425
Energy: 1.3320416855085095
Energy: 1.3511711711265624
Energy: 1.5090156517087872
Energy: 1.5039020353693717
Energy: 1.3287107844760415
Energy: 1.5023319941723758
Energy: 1.5228443371449931
Energy: 1.3549265134105837
Energy: 1.503547183084119
Energy: 1.5540404835790151
Energy: 1.3452533298688842
Energy: 1.5077013341752679
Energy: 1.5010979615948887
Energy: 1.3480326109515457
Energy: 1.52631759658283
Energy: 1.5035487927032016
Energy: 1.3319906050853703
Energy: 1.549339465340446
Energy: 1.5300140312773833
Energy: 1.3562620918789376
Energy: 1.502390719565344
Energy: 1.4996530203823177
Energy: 1.3312376408788558
Energy: 1.5046938413293385
Energy: 1.4773328205071312
Energy: 1.918721971175945
Energy: 1.508860464509855
Energy: 1.5724891998877926
Energy: 1.3498863906876077
Energy: 1.5673465032772895
Energy: 1.6660650345070291

minimum gb energy = 1.30993498328471 eV
minimum distance =  2.1747984573593 Angstroms
sigma value = 43


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

Energy: 1.3896666190299165
Energy: 1.6901230541761885
Energy: 1.3719526797620814
Energy: 1.3705565575201317
Energy: 1.3667480900467623
Energy: 1.7333246805594156
Energy: 1.3937167166320772
Energy: 1.3690001529340579
Energy: 1.3625940038463558
Energy: 1.360408007540451
Energy: 1.3662130166047068
Energy: 1.5123322015595302
Energy: 1.4970642235866445
Energy: 1.5440175209124338
Energy: 1.364906413628651
Energy: 1.3561345468493846
Energy: 1.3672546391580678
Energy: 1.6426234858584288
Energy: 1.598357044054623
Energy: 1.6461174226796436
Energy: 1.3789891578998748
Energy: 1.3822408149986731
Energy: 1.531072681742441
Energy: 1.6458053906850374
Energy: 1.5958835508908893
Energy: 1.6428785882611958
Energy: 1.6384658976503077
Energy: 1.3965264346607131
Energy: 1.6398896596245807
Energy: 1.6440495366496615
Energy: 1.3464769060011568
Energy: 1.3654598831480764
Energy: 1.728785834358058
Energy: 1.6008824261030137
Energy: 1.5647464111983598
Energy: 1.3586295120898826
Energy: 1.3302504725513982
Energy: 1.33515218532552
Energy: 1.639039664062547
Energy: 1.4323984196301378
Energy: 1.3329927475394376
Energy: 1.3336318277645371
Energy: 1.3314548870648095
Energy: 1.3345190364098793
Energy: 1.5268223825034888
Energy: 1.433460148024488
Energy: 1.3343371234797727
Energy: 1.332851983261793
Energy: 1.348840996014142
Energy: 1.3631581468237708
Energy: 1.6444295708564107
Energy: 1.646021376503608
Energy: 1.5636306419595216
Energy: 1.3512471260723855
Energy: 1.6990086450066995
Energy: 1.6437704895704206
Energy: 1.6391401122524518
Energy: 1.43326787123757
Energy: 1.6452008833325285
Energy: 1.644086395617995
Energy: 1.8003796148229447
Energy: 1.6751006291013781
Energy: 1.3918995162812444
Energy: 1.3773700335596695
Energy: 1.5229509442381133
Energy: 1.5985539333175882
Energy: 1.5983024337665004
Energy: 1.6704567812019004
Energy: 1.3644755924020489
Energy: 1.363457692027831
Energy: 1.3693188321393928
Energy: 1.6442323387083237
Energy: 1.4975356936016806
Energy: 1.3609826551652013
Energy: 1.3628228840645666
Energy: 1.3615130937030282
Energy: 1.3633397165965426
Energy: 1.5620296124600341
Energy: 1.5943087952567054
Energy: 1.3806391109018186
Energy: 1.3785498402030791
Energy: 1.3777662605248524
Energy: 1.3851263338421118
Energy: 1.5546661279031095
Energy: 1.4286345677641095
Energy: 1.5125243620026725
Energy: 1.513010701105738
Energy: 1.365383581701966
Energy: 1.5126246800818286
Energy: 1.511017729668544
Energy: 1.6012917028284206
Energy: 1.5573000394456997
Energy: 1.5132899757033635
Energy: 1.3647491407930223
Energy: 1.5114043513044657
Energy: 1.5297429394819997
Energy: 1.5983538384586442
Energy: 1.5111018945484302
Energy: 1.5324181425220562
Energy: 1.496778499062401
Energy: 1.475886503772915
Energy: 1.5083944637233002
Energy: 1.5979594978857297
Energy: 1.5122456404839955
Energy: 1.5113310481892002
Energy: 1.3952434160943696
Energy: 1.51480674600716
Energy: 1.5110858901505866
Energy: 1.3686317114840947
Energy: 1.3666798822408535
Energy: 1.810561939216342
Energy: 1.7336870146656884
Energy: 1.3687045267530367
Energy: 1.3718181414554507
Energy: 1.359353507455172
Energy: 1.3674384578512657
Energy: 1.5130974569131679
Energy: 1.3954051103305944
Energy: 1.3636761590365458
Energy: 1.3622457398875123
Energy: 1.3555039359188608
Energy: 1.364757950378517
Energy: 1.6429899338423668
Energy: 1.4976591469492917
Energy: 1.3814253161313923
Energy: 1.3745825329427819
Energy: 1.3754871248615281
Energy: 1.3779152590000825
Energy: 1.6433376422843171
Energy: 1.5149580586870823
Energy: 1.6389287645560775
Energy: 1.3802030475661848
Energy: 1.3948752493798648
Energy: 1.6395708300475578
Energy: 1.643700446084378
Energy: 1.3640176614874318
Energy: 1.6452481576812157
Energy: 1.638155190147553
Energy: 1.7967573783332114
Energy: 1.5638430194591255
Energy: 1.361248809222507
Energy: 1.3565384297948304
Energy: 1.5634928284093408
Energy: 1.74233503881937
Energy: 1.4320690264156208
Energy: 1.5268456737150442
Energy: 1.334552842551706
Energy: 1.3326578903284223
Energy: 1.3338754588865633
Energy: 1.6739338616835822
Energy: 1.4317650434918114
Energy: 1.5267409138430912
Energy: 1.3412785512196916
Energy: 1.3321623693768452
Energy: 1.3330666721313746
Energy: 1.7244382336309307
Energy: 1.5916803360962781
Energy: 1.6929415797232001
Energy: 1.3603386132624982
Energy: 1.3494882642353738
Energy: 1.3610714918458904
Energy: 1.6224115912374548
Energy: 1.5314940304677802
Energy: 1.6391485070752772
Energy: 1.645138061494836
Energy: 1.3656651931993065
Energy: 1.6460867783502766
Energy: 1.6401086098137339
Energy: 1.3772525598929852
Energy: 1.376160039091169
Energy: 1.6520578082646702
Energy: 1.6025935688573392
Energy: 1.6731135075848271
Energy: 1.3771930178566363
Energy: 1.3630372259732055
Energy: 1.382637519623048
Energy: 1.6434177720328107
Energy: 1.599581220325273
Energy: 1.5451300051265933
Energy: 1.3659658862194572
Energy: 1.3605426229574789
Energy: 1.3621077750323118
Energy: 1.5148590825397996
Energy: 1.5121665141612868
Energy: 1.3606205503435724
Energy: 1.3627444445807317
Energy: 1.3748977354818652
Energy: 1.3822626278782038
Energy: 1.5557014180655862
Energy: 1.490112030370136
Energy: 1.380450267097967
Energy: 1.3765595942477697
Energy: 1.5968726487462461
Energy: 1.513469384442283
Energy: 1.5114053235796365
Energy: 1.430587532636736
Energy: 1.5119393876947778
Energy: 1.5132935219508012
Energy: 1.597766769530633
Energy: 1.5116889099472863
Energy: 1.512483745553722
Energy: 1.600504543702471
Energy: 1.5706934759584192
Energy: 1.5125355704935166
Energy: 1.4980881168289493
Energy: 1.5561859697253897
Energy: 1.5120671042749987
Energy: 1.3623169203778718
Energy: 1.511340584294691
Energy: 1.530316655859899
Energy: 1.3937132815831204
Energy: 1.5139291654810287
Energy: 1.5120755541925368
Energy: 1.3624024710372544
Energy: 1.5120910535834102
Energy: 1.5724757886858003

minimum gb energy = 1.3302504725513982 eV
minimum distance =  2.19991464089288 Angstroms
sigma value = 81


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

Energy: 1.3328176851598301
Energy: 1.3590778090281954
Energy: 1.5489638846624834
Energy: 1.539994918605902
Energy: 1.60592327928845
Energy: 1.359563449424469
Energy: 1.3667307493888903
Energy: 1.4166224359099138
Energy: 1.3656463522540665
Energy: 1.3668966150006083
Energy: 1.366825661499955
Energy: 1.4155053141401843
Energy: 1.4286290886864634
Energy: 1.4174413144161653
Energy: 1.365212847683957
Energy: 1.36496517600491
Energy: 1.3657743456675786
Energy: 1.4157815518653667
Energy: 1.4278788528144641
Energy: 1.416398044950427
Energy: 1.3702747119621654
Energy: 1.3627155298806093
Energy: 1.4160731881106843
Energy: 1.4218323726119297
Energy: 1.426028404309911
Energy: 1.415228056375354
Energy: 1.4154098305957659
Energy: 1.358946292166706
Energy: 1.4172355336702127
Energy: 1.4180409170683954
Energy: 1.3766904482659579
Energy: 1.541501001705625
Energy: 1.3598271327108575
Energy: 1.3403237311909264
Energy: 1.4157526980757316
Energy: 1.3688451925677618
Energy: 1.3786898233323153
Energy: 1.3672864419943018
Energy: 1.4187703263169313
Energy: 1.3649383131123258
Energy: 1.5357234947573375
Energy: 1.3655041412570754
Energy: 1.3798078649036498
Energy: 1.3661650424228613
Energy: 1.415337785636598
Energy: 1.417137888068793
Energy: 1.4146294062475064
Energy: 1.361818593206602
Energy: 1.545194339305305
Energy: 1.364432121172935
Energy: 1.417286267938911
Energy: 1.4161852145503009
Energy: 1.4153432202793674
Energy: 1.3710263140045715
Energy: 1.3692071307839966
Energy: 1.4147257287708797
Energy: 1.415288626830506
Energy: 1.4144512420262474
Energy: 1.4186673465141675
Energy: 1.4187254687688196

minimum gb energy = 1.3328176851598301 eV
minimum distance =  2.24763954388315 Angstroms
sigma value = 3


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

Energy: 1.6214054848201482
Energy: 1.4099998828189058
Energy: 1.6232651084905882
Energy: 1.5420737650314715
Energy: 1.4779824100933183
Energy: 1.7445710857257617
Energy: 1.6509339829210856
Energy: 1.3423157371180579
Energy: 1.480643809192102
Energy: 1.4774713790677152
Energy: 1.3410587589694094
Energy: 1.5199572435740907
Energy: 1.4975600578234431
Energy: 1.4128030285324629
Energy: 1.3422216785797607
Energy: 1.4777854887377202
Energy: 1.3419225449119325
Energy: 1.477222058142855
Energy: 1.4748014493177923
Energy: 1.5070064993062857
Energy: 1.3543468811808992
Energy: 1.4984370904267943
Energy: 1.491866359683708
Energy: 1.5023417209386836
Energy: 1.4772466018320933
Energy: 1.535917164886195
Energy: 1.6102515908999273
Energy: 1.6928615485953915
Energy: 1.532164371918266
Energy: 1.4754192533287749
Energy: 1.5929824101332517
Energy: 1.4935052675504898
Energy: 1.5791136403777344
Energy: 1.5691671573965806
Energy: 1.4902407108332871
Energy: 1.5442674792013504
Energy: 1.6086658079064509
Energy: 1.5042661267384876
Energy: 1.536343596399104
Energy: 1.497262431829033
Energy: 1.6719395352094197
Energy: 1.5028862298374155
Energy: 1.6098461153235895
Energy: 1.503844077594687
Energy: 1.3536354648136204
Energy: 1.351269176897239
Energy: 1.3447926529651009
Energy: 1.5089796205415669
Energy: 1.693724444103029
Energy: 1.3455682529200794
Energy: 1.3414495326694518
Energy: 1.3204467124882104
Energy: 1.3427374854911243
Energy: 1.7017248096824207
Energy: 1.6950058879992422
Energy: 1.340505724350388
Energy: 1.350618864692286
Energy: 1.3229427004226788
Energy: 1.3456385376197793
Energy: 1.6027580312887737
Energy: 1.5904679923253664
Energy: 1.5830398598828404
Energy: 1.573837889110042
Energy: 1.3203892629325114
Energy: 1.5989152317484632
Energy: 1.7073144190268692
Energy: 1.6940322748144816
Energy: 1.6503954936780667
Energy: 1.3416616556617014
Energy: 1.722269639157422
Energy: 1.7038955626416663
Energy: 1.6162337895523176
Energy: 1.3171307462179258
Energy: 1.3472740840197444
Energy: 1.3453370477012097
Energy: 1.7226607057782581
Energy: 1.3407148855057582
Energy: 1.3501661985029707
Energy: 1.3145260819528126
Energy: 1.343990608963533
Energy: 1.3410086260804437
Energy: 1.6939433269086097
Energy: 1.3414427770238468
Energy: 1.3328629541989465
Energy: 1.3374724791792512
Energy: 1.341562737369547
Energy: 1.344473837317641
Energy: 1.6812559576774553
Energy: 1.4800694105452448
Energy: 1.3541603078391757
Energy: 1.3446156957935471
Energy: 1.5596661114524601
Energy: 1.7168977012576019
Energy: 1.6811462030461846
Energy: 1.5569050545155605
Energy: 1.3535688574435563
Energy: 1.6532710204393797
Energy: 1.4832660696232498
Energy: 1.699743764105387
Energy: 1.592109479921087
Energy: 1.5699841004812833
Energy: 1.3197987081167804
Energy: 1.7255211961157872
Energy: 1.481446830502053
Energy: 1.4766074558490816
Energy: 1.4963577378588309
Energy: 1.3400878055919683
Energy: 1.653001916944703
Energy: 1.4973527065195444
Energy: 1.49522705642211
Energy: 1.5047138074919058
Energy: 1.5013007808922905
Energy: 1.5044355309722
Energy: 1.5161110806299736
Energy: 1.4743216211147905
Energy: 1.3452233070440496
Energy: 1.3455005694019613
Energy: 1.4798152922330372
Energy: 1.3420039637293604
Energy: 1.5027239667055332
Energy: 1.4733145656947964
Energy: 1.5051133457069408
Energy: 1.5245408489854047
Energy: 1.4954331312240128
Energy: 1.5045025151490259
Energy: 1.5044980815491018
Energy: 1.4759674479078413
Energy: 1.4775955522136774
Energy: 1.5666681846339925
Energy: 1.514304042608395
Energy: 1.483975452100348
Energy: 1.4897433607228607
Energy: 1.68042757164699
Energy: 1.4781217489927339
Energy: 1.6110242108599777
Energy: 1.6927098256902244
Energy: 1.675645952315802
Energy: 1.6994351950304472
Energy: 1.6132923097021012
Energy: 1.7237132140399736
Energy: 1.3548784100226525
Energy: 1.351081911969053
Energy: 1.5866486640438116
Energy: 1.6633222895581312
Energy: 1.680082587149473
Energy: 1.4809732956825632
Energy: 1.3420868337470766
Energy: 1.3446511604301157
Energy: 1.3433224651295297
Energy: 1.6992487714637659
Energy: 1.694602193692187
Energy: 1.3416272439026369
Energy: 1.35566497635577
Energy: 1.340456300554867
Energy: 1.3421454718436787
Energy: 1.4487423226618046
Energy: 1.5903523058647997
Energy: 1.5823465065196873
Energy: 1.3553053764519685
Energy: 1.3446795125448046
Energy: 1.5170752761430006
Energy: 1.713963457983
Energy: 1.6941524100935106
Energy: 1.5171065696752508
Energy: 1.517860145521728
Energy: 1.7228493742690045
Energy: 1.5156183155743497
Energy: 1.6029597435008587
Energy: 1.3444623258006787
Energy: 1.3476222591530482
Energy: 1.7537433831426252
Energy: 1.3413334295911754
Energy: 1.5677064807916552
Energy: 1.354248446155873
Energy: 1.3224719760114767
Energy: 1.340148496139978
Energy: 1.3437034678083357
Energy: 1.6945927848201874
Energy: 1.3387901511667972
Energy: 1.3360308820688338
Energy: 1.3193369036668887
Energy: 1.3422787961229141
Energy: 1.480917142781645
Energy: 1.6863046017796661
Energy: 1.3422908897789068
Energy: 1.3375456571460973
Energy: 1.337771700503463
Energy: 1.4946088923712304
Energy: 1.7157611756759925
Energy: 1.7169779924941648
Energy: 1.5553110773265895
Energy: 1.356520025463484
Energy: 1.6476565753566814
Energy: 1.6109467566355606
Energy: 1.4941794231093595
Energy: 1.6814338473403245
Energy: 1.3410507095856061
Energy: 1.6527538893328229

minimum gb energy = 1.3145260819528126 eV
minimum distance =  2.22583432667148 Angstroms
sigma value = 67


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

Energy: 1.782356835364366
Energy: 1.8230917081638336
Energy: 1.5838094598223778
Energy: 1.495161179287715
Energy: 1.8245727032701993
Energy: 1.8230190320224915
Energy: 1.6405481562221609
Energy: 1.4424821874618645
Energy: 1.5110357684906326
Energy: 1.4623129613381958
Energy: 1.4184584188151317
Energy: 1.5460413281085874
Energy: 1.471561545146751
Energy: 1.3287948717535532
Energy: 1.5053417399565765
Energy: 1.4587755808315783
Energy: 1.4207641041400367
Energy: 1.4562943306467044
Energy: 1.4601242356480892
Energy: 1.4937882686340656
Energy: 1.3535953122393347
Energy: 1.4531196253685987
Energy: 1.3479071103526916
Energy: 1.4898570957825548
Energy: 1.475191222939145
Energy: 1.538918801452963
Energy: 1.65869953601275
Energy: 1.4550334867137604
Energy: 1.5183113721840664
Energy: 1.4890423482586848
Energy: 1.5067230336738233
Energy: 1.5432775352940913
Energy: 1.7818395634268733
Energy: 1.5170669138150634
Energy: 1.7488102632526643
Energy: 1.5343054476606264
Energy: 1.6407699262270206
Energy: 1.526056555438416
Energy: 1.5460393509045451
Energy: 1.2895276565473381
Energy: 1.5307016875970456
Energy: 1.53163452317402
Energy: 1.6419242554296896
Energy: 1.5265219436193351
Energy: 1.3396949337684063
Energy: 1.2901896598855545
Energy: 1.3200527324165363
Energy: 1.7186678229676975
Energy: 1.6506109586861533
Energy: 1.2945785522814246
Energy: 1.2854543915150523
Energy: 1.2710507199555963
Energy: 1.2960729939971616
Energy: 1.5192704528038763
Energy: 1.66674787573537
Energy: 1.4465331780289543
Energy: 1.3237842930136983
Energy: 1.2916540605232147
Energy: 1.3368473764532343
Energy: 1.5665703379290805
Energy: 1.6662385663168702
Energy: 1.7931311399360452
Energy: 1.5834743974930963
Energy: 1.2929899706534707
Energy: 1.700216740369263
Energy: 1.777168971427221
Energy: 1.6531200538088788
Energy: 1.7046131438465455
Energy: 1.2675962322198682
Energy: 1.6594696000790072
Energy: 1.4221796179847435
Energy: 1.6505275650370321
Energy: 1.4542041441703277
Energy: 1.451108742841087
Energy: 1.2658685953471451
Energy: 1.6322058674829962
Energy: 1.4436859054456335
Energy: 1.4796828546237522
Energy: 1.460040389130159
Energy: 1.498412620797006
Energy: 1.3383744533445074
Energy: 1.4549916644372092
Energy: 1.4195954585381954
Energy: 1.4919545529345715
Energy: 1.451813877825518
Energy: 1.443670897260804
Energy: 1.5073764074324185
Energy: 1.4714825216168552
Energy: 1.4473603671859903
Energy: 1.4244460242538912
Energy: 1.454938051570588
Energy: 1.4201464531509114
Energy: 1.5111413391198398
Energy: 1.4577891012934845
Energy: 1.5229779406838266
Energy: 1.3618392895894005
Energy: 1.6655316454017963
Energy: 1.268862328769867
Energy: 1.4793575944299886
Energy: 1.4724084314942112
Energy: 1.4868337271083305
Energy: 1.5558074670923367
Energy: 1.6642399604838032
Energy: 1.445705246342588
Energy: 1.5166324388234929
Energy: 1.6668518923317546
Energy: 1.525912174258418
Energy: 1.270199476153379
Energy: 1.2757055547386271
Energy: 1.3297922998703644
Energy: 1.7097095062717464
Energy: 1.7098372918089932
Energy: 1.7805066314686324
Energy: 1.3437973668951309
Energy: 1.286552403323339
Energy: 1.2908748475219392
Energy: 1.2696297990377035
Energy: 1.6646156089680204
Energy: 1.2956264989124338
Energy: 1.2892073122960883
Energy: 1.27072800285805
Energy: 1.2864135259445517
Energy: 1.293560227887205
Energy: 1.6539213589670139
Energy: 1.2972184875540875
Energy: 1.270603638925537
Energy: 1.2989912939868193
Energy: 1.3387905167403165
Energy: 1.7918246542238168
Energy: 1.4591203003269924
Energy: 1.693745184957443
Energy: 1.3214078802972504
Energy: 1.63463983283213
Energy: 1.450707677818802
Energy: 1.5379334521716292
Energy: 1.6508013302801605
Energy: 1.4452893069873414
Energy: 1.4454300688442194

minimum gb energy = 1.2658685953471451 eV
minimum distance =  2.21941284810871 Angstroms
sigma value = 33


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

Energy: 1.7787060730734692
Energy: 1.7330547268718752
Energy: 1.5862859673478107
Energy: 1.5836719381052542
Energy: 1.594293693810538
Energy: 1.8452958639182955
Energy: 1.4747194287026189
Energy: 1.4602909587279658
Energy: 1.6419974387925675
Energy: 1.5403106799057482
Energy: 1.4620337719690646
Energy: 1.4608943865071322
Energy: 1.339563352483561
Energy: 1.3611944627630903
Energy: 1.5686487258742394
Energy: 1.4703524354109105
Energy: 1.4564665086826627
Energy: 1.3364752575259178
Energy: 1.3237200513160297
Energy: 1.3537341354141224
Energy: 1.3489908026356963
Energy: 1.5387192376376955
Energy: 1.3282228858710914
Energy: 1.3476053918835804
Energy: 1.3391605763197167
Energy: 1.3262162211674235
Energy: 1.462520407868537
Energy: 1.4677728796364804
Energy: 1.3236045776356657
Energy: 1.3475924454383061
Energy: 1.3373523919035735
Energy: 1.487577672164665
Energy: 1.6685529316760679
Energy: 1.8099515526823893
Energy: 1.7965263750915665
Energy: 1.354362376671188
Energy: 1.5866161683429245
Energy: 1.3515276098860163
Energy: 1.6782668562852125
Energy: 1.4688887030780569
Energy: 1.642316057467728
Energy: 1.4223654315490357
Energy: 1.5867663927848819
Energy: 1.2808998143313404
Energy: 1.3262783105652765
Energy: 1.336059583481976
Energy: 1.3305591954105218
Energy: 1.4776853836556982
Energy: 1.516403153288028
Energy: 1.2394198914744585
Energy: 1.358289711310782
Energy: 1.3221179867838282
Energy: 1.363897745214892
Energy: 1.5078797031836824
Energy: 1.5304914364455977
Energy: 1.4194673122799635
Energy: 1.3610239875511945
Energy: 1.325611102763686
Energy: 1.3276384670857435
Energy: 1.5700894525438174
Energy: 1.5322551508823128
Energy: 1.6157106595666173
Energy: 1.344093452000801
Energy: 1.3624180529460668
Energy: 1.4189727226306252
Energy: 1.6210215913955528
Energy: 1.5384116960859129
Energy: 1.5340025546349056
Energy: 1.231862361708648
Energy: 1.460681702005527
Energy: 1.3257196662368602
Energy: 1.5312047060675038
Energy: 1.663670013944256
Energy: 1.7338814223985708
Energy: 1.2283715426165305
Energy: 1.632878726009127
Energy: 1.2419722906470039
Energy: 1.6018432304179628
Energy: 1.6375314752840109
Energy: 1.8140139413152052
Energy: 1.2369151245064014
Energy: 1.2342958924799041
Energy: 1.328067837573844
Energy: 1.7658084398813219
Energy: 1.639008746905165
Energy: 1.344168545045392
Energy: 1.2395104669280648
Energy: 1.2347498389128717
Energy: 1.2386699593873753
Energy: 1.547744147259286
Energy: 1.603773454867946
Energy: 1.2694898234921579
Energy: 1.2322309232754138
Energy: 1.223672446288882
Energy: 1.24688253578067
Energy: 1.6769158953199006
Energy: 1.5299629772731167
Energy: 1.635873927667167
Energy: 1.2530176462427733
Energy: 1.2316165208088112
Energy: 1.2599870424754176
Energy: 1.6218406905351417
Energy: 1.6495782140460054
Energy: 1.4579526608700484
Energy: 1.466479543799493
Energy: 1.365233341622329
Energy: 1.6376035191779434
Energy: 1.532051908143388
Energy: 1.5699577406257927
Energy: 1.576407828411583
Energy: 1.43383053752642
Energy: 1.8475135024849714
Energy: 1.7015322659988068
Energy: 1.5723858676282336
Energy: 1.536912933717876
Energy: 1.4591928771219493
Energy: 1.398587030422504
Energy: 1.4867493358828512
Energy: 1.4640373241376436
Energy: 1.531578941103206
Energy: 1.417884698691198
Energy: 1.5687417492519793
Energy: 1.3460122796964602
Energy: 1.3409620633203794
Energy: 1.4750659618988984
Energy: 1.6148702281153668
Energy: 1.5396944808867008
Energy: 1.353094423629699
Energy: 1.3494490104059573
Energy: 1.3499115374547088
Energy: 1.364765061435205
Energy: 1.5309475454779276
Energy: 1.468346993030286
Energy: 1.3782531727890917
Energy: 1.3353963675209413
Energy: 1.3371934792860873
Energy: 1.3895105933045486
Energy: 1.6308705883912045
Energy: 1.6587583933470964
Energy: 1.7996408659443512
Energy: 1.3498126932906451
Energy: 1.3384015433962428
Energy: 1.5002670568755692
Energy: 1.8077684548800854
Energy: 1.4687400130360642
Energy: 1.6609813807135818
Energy: 1.3268605866895735
Energy: 1.4964927662306677
Energy: 1.3794863690873782
Energy: 1.6710035361800673
Energy: 1.335249979231947
Energy: 1.323638318909854
Energy: 1.8459814394320526
Energy: 1.6360600989628538
Energy: 1.2823386296426558
Energy: 1.3349877736229687
Energy: 1.323707760617478
Energy: 1.352693128584266
Energy: 1.3259221519778237
Energy: 1.5178862766372072
Energy: 1.3514446395799466
Energy: 1.3482084816126954
Energy: 1.3230174335925218
Energy: 1.3256747174424597
Energy: 1.3505626339504426
Energy: 1.532084296397981
Energy: 1.3432251007191804
Energy: 1.3537871995999908
Energy: 1.3368519860738561
Energy: 1.3578531369666416
Energy: 1.6178726785771522
Energy: 1.6275572176366284
Energy: 1.6172077131272626
Energy: 1.3356288671720293
Energy: 1.5384528854277726
Energy: 1.4114650099616923
Energy: 1.5318249793994059
Energy: 1.5324321031213526
Energy: 1.5315081035815
Energy: 1.319423173737587
Energy: 1.511695825203482
Energy: 1.2467000936344401
Energy: 1.6021525803526806
Energy: 1.6636230681573296
Energy: 1.7289070931165427
Energy: 1.342298705886406
Energy: 1.3717112781155985
Energy: 1.4889127999987
Energy: 1.6173392140582663
Energy: 1.637312181842814
Energy: 1.616189447530456
Energy: 1.3307091625016154
Energy: 1.2276017435265862
Energy: 1.2496165740245875
Energy: 1.4182773538065696
Energy: 1.6364440852711268
Energy: 1.338435272277491
Energy: 1.2380120887637014
Energy: 1.2253603128689918
Energy: 1.2315397010372298
Energy: 1.2327312397066437
Energy: 1.6037280479127518
Energy: 1.2406526096375623
Energy: 1.2268735424823294
Energy: 1.2285066684418464
Energy: 1.262723223873785
Energy: 1.5718865238953268
Energy: 1.5598293734904731
Energy: 1.354991809431332
Energy: 1.2441835358067619
Energy: 1.3687299484398696
Energy: 1.6359326991853744
Energy: 1.6214551928240404
Energy: 1.6647843480530413
Energy: 1.4592400386138427
Energy: 1.337533514472437
Energy: 1.5735665847327618
Energy: 1.3793279829139053
Energy: 1.624897376223528
Energy: 1.6583796515264406
Energy: 1.7013025497530239
Energy: 1.8523387862986154

minimum gb energy = 1.223672446288882 eV
minimum distance =  2.22138304558604 Angstroms
sigma value = 41


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

Energy: 1.8886883937151426
Energy: 1.733249819677416
Energy: 1.3259412893053104
Energy: 1.3363987671489879
Energy: 1.3241512731234777
Energy: 1.7334734237268148
Energy: 1.5868462622103678
Energy: 1.093619982212041
Energy: 1.095136213677888
Energy: 1.3713596465212603
Energy: 1.0903969946873011
Energy: 1.3488163911795066
Energy: 1.3225506046170155
Energy: 1.0899195871945415
Energy: 1.0906689963722729
Energy: 1.0397490242720853
Energy: 1.0934324284777053
Energy: 1.3587103059980041
Energy: 1.3587071555369628
Energy: 1.4129409200426835
Energy: 1.0953456539939035
Energy: 1.32597913142678
Energy: 1.0950339084438077
Energy: 1.4024161708342895
Energy: 1.323638474343559
Energy: 1.3660753830247296
Energy: 1.4620081608314601
Energy: 1.3212908253572135
Energy: 1.454087987494069
Energy: 1.3368760439338372
Energy: 1.323544432610416
Energy: 1.3352762459836456
Energy: 1.7293867432298315
Energy: 1.3906349350617109
Energy: 1.7088736911402622
Energy: 1.3357654902435252
Energy: 1.6122229478673311
Energy: 1.4253457042110218
Energy: 1.0909021739550404
Energy: 1.3195354352158284
Energy: 1.4413480035333064
Energy: 1.6862241548001167
Energy: 1.640985718436822
Energy: 1.4073713756316797
Energy: 1.3471885549647513
Energy: 1.3207278710953814
Energy: 1.1010215953688105
Energy: 1.7439343032451924
Energy: 1.3203454880874712
Energy: 1.099827598567875
Energy: 1.0897127828331479
Energy: 1.0390050568605116
Energy: 1.096852330970906
Energy: 1.3439006303003473
Energy: 1.3302802385736645
Energy: 1.0979414776581045
Energy: 1.0893705591424985
Energy: 1.3705059521096075
Energy: 1.0977095581485117
Energy: 1.3417837006695397
Energy: 1.3293946715233869
Energy: 1.412682995595616
Energy: 1.0899412495110978
Energy: 1.3238674942161397
Energy: 1.4046680371175133
Energy: 1.4024086045635258
Energy: 1.319932000666507
Energy: 1.3376826505768746
Energy: 1.101160171183988
Energy: 1.3250393378083447
Energy: 1.0936047663508517
Energy: 1.3326195065699553
Energy: 1.3156910207211918
Energy: 1.3404256762539966
Energy: 1.099676578665481
Energy: 1.3790108035456308
Energy: 1.096055646394659
Energy: 1.3439990589611506
Energy: 1.6549599450992358
Energy: 1.4181952172277308
Energy: 1.3400829007659543
Energy: 1.3222217794214692
Energy: 1.3440445999487607
Energy: 1.7359079642667068

minimum gb energy = 1.0390050568605116 eV
minimum distance =  2.22146443241482 Angstroms
sigma value = 11


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

Energy: 1.7818272668489925
Energy: 1.5091255944023576
Energy: 1.437104975127049
Energy: 1.4691452971250007
Energy: 1.4375994764435873
Energy: 1.9011664883150738
Energy: 1.2569109716450382
Energy: 1.3802358890377726
Energy: 1.428775121300591
Energy: 1.4804351265945879
Energy: 1.3810666378872147
Energy: 1.285703784409984
Energy: 1.270702682522647
Energy: 1.2794924765419704
Energy: 1.4328301021062735
Energy: 1.5692590941776052
Energy: 1.4312526022543992
Energy: 1.272892163933317
Energy: 1.267930336083621
Energy: 1.2760278766410786
Energy: 1.2785605307510384
Energy: 1.5317949960200885
Energy: 1.280746949428975
Energy: 1.282137402694859
Energy: 1.266679037031427
Energy: 1.2945041695081998
Energy: 1.2824175835439966
Energy: 1.5299474313969141
Energy: 1.2767827260966271
Energy: 1.2746950741594067
Energy: 1.267879704632054
Energy: 1.280676538502474
Energy: 1.729023636647292
Energy: 1.6226123375850043
Energy: 1.7308730000601298
Energy: 1.2692840109363086
Energy: 1.3672228742236534
Energy: 1.3796347226283985
Energy: 1.549943943895319
Energy: 1.5497657504591305
Energy: 1.6090864929856288
Energy: 1.4177294942047323
Energy: 1.6296651522349583
Energy: 1.4134509167262959
Energy: 1.4396566079315616
Energy: 1.4387239834292442
Energy: 1.4388591119790697
Energy: 1.7229828924745472
Energy: 1.2711102423090335
Energy: 1.2798626271188158
Energy: 1.4271439218587245
Energy: 1.7454718305528996
Energy: 1.3799863341124645
Energy: 1.2681672206551309
Energy: 1.3656339572551883
Energy: 1.3832910343300449
Energy: 1.3802969365199094
Energy: 1.7454382536545694
Energy: 1.3862480195151743
Energy: 1.3726060576594215
Energy: 1.3804352625040872
Energy: 1.4139263294996312
Energy: 1.3089967692324203
Energy: 1.4167732722455477
Energy: 1.38833927715406
Energy: 1.4133049255546477
Energy: 1.3798688965351102
Energy: 1.308057176901576
Energy: 1.4131414521188765
Energy: 1.3805060467182426
Energy: 1.3884419878556413
Energy: 1.4339756810467699
Energy: 1.4246669378729515
Energy: 1.4157204581355955
Energy: 1.3987607823518755
Energy: 1.3766147206803234
Energy: 1.413363751453274
Energy: 1.4158309705935186
Energy: 1.607593435059972
Energy: 1.3911449673018879
Energy: 1.3864798440627493
Energy: 1.2624353693122883
Energy: 1.3944689889687332
Energy: 1.3798952398753932
Energy: 1.5149119019307467
Energy: 1.3806491480125151
Energy: 1.2829748321852141
Energy: 1.2677667103201713
Energy: 1.4350456248200858
Energy: 1.5803830939909902
Energy: 1.439581969782484
Energy: 1.4485145654967229
Energy: 1.4759622526694132
Energy: 1.8981182036107047
Energy: 1.535048683756184
Energy: 1.4394534230626903
Energy: 1.5287977079887218
Energy: 1.4253305975677668
Energy: 1.4654881367895345
Energy: 1.2546361441442906
Energy: 1.4682188195866896
Energy: 1.525074962116336
Energy: 1.472245478039063
Energy: 1.4316366869790245
Energy: 1.2737413657257806
Energy: 1.2787564742882958
Energy: 1.2777120601256688
Energy: 1.5488154561337966
Energy: 1.5278750343388872
Energy: 1.2845981472125507
Energy: 1.2839946591691462
Energy: 1.2672563778360302
Energy: 1.2803215097698084
Energy: 1.4531080400186809
Energy: 1.4804790551133857
Energy: 1.282352673144136
Energy: 1.2824171308899766
Energy: 1.2701904623575806
Energy: 1.281681092857845
Energy: 1.3810446359167698
Energy: 1.6238428704208587
Energy: 1.7283739409503023
Energy: 1.272861694148003
Energy: 1.2689108165116993
Energy: 1.2764120930423735
Energy: 1.7316444057057498
Energy: 1.5156016246214048
Energy: 1.580584966193746
Energy: 1.381281473929699
Energy: 1.4244177993587848
Energy: 1.3806092395539635
Energy: 1.5236570378138985
Energy: 1.4376106940736124
Energy: 1.438667274683119
Energy: 1.7232820025764304
Energy: 1.6076968231532844
Energy: 1.5385890572088219
Energy: 1.4411728581720138
Energy: 1.4709601485850827
Energy: 1.3819316793074061
Energy: 1.274338048130015
Energy: 1.2783279460891166
Energy: 1.3820640344342687
Energy: 1.2746717398571579
Energy: 1.7442889205066565
Energy: 1.380403153758879
Energy: 1.3720126094481269
Energy: 1.367177991691827
Energy: 1.3814244517616465
Energy: 1.269900478539266
Energy: 1.366768317482475
Energy: 1.3909061677292585
Energy: 1.4140950820944127
Energy: 1.381709390083167
Energy: 1.413897017013095
Energy: 1.417302445281691
Energy: 1.3775866159887853
Energy: 1.4405179032786442
Energy: 1.379766396185465
Energy: 1.3819253612467164
Energy: 1.3092927720979781
Energy: 1.4120856032636093
Energy: 1.37738148799794
Energy: 1.414095675996912
Energy: 1.3078686131136212
Energy: 1.416699133631185
Energy: 1.422569504157168
Energy: 1.4317878548738376
Energy: 1.3675071573952686
Energy: 1.3807351536584538
Energy: 1.3800918945895364
Energy: 1.626158321745508
Energy: 1.3816920092149758
Energy: 1.3728394642229929
Energy: 1.2805439431174677
Energy: 1.4326728529772108
Energy: 1.426882078829819
Energy: 1.6415448662299736
Energy: 1.381934789454579
Energy: 1.2786779890935036
Energy: 1.684317603546554
Energy: 1.6023506526944884
Energy: 1.4410560131811456
Energy: 1.555884495291844
Energy: 1.4207131611151016
Energy: 1.4723202563092628

minimum gb energy = 1.2546361441442906 eV
minimum distance =  2.19456885107665 Angstroms
sigma value = 57


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

Energy: 2.1981779084913695
Energy: 1.9143803826844457
Energy: 1.4572397225425242
Energy: 1.4464952906605621
Energy: 1.5357480617665258
Energy: 1.923522335710088
Energy: 1.2986136409805655
Energy: 1.3649514207701035
Energy: 1.3638160793316443
Energy: 1.317779999662829
Energy: 1.377633014678583
Energy: 1.3642573967914535
Energy: 1.3104653938765978
Energy: 1.3282153399109453
Energy: 1.3439587124366879
Energy: 1.3295170302469619
Energy: 1.3454541021220932
Energy: 1.3471766463406365
Energy: 1.315531657564967
Energy: 1.347364256521799
Energy: 1.4858478894757432
Energy: 1.317894748524767
Energy: 1.3399473779782287
Energy: 1.3265695425713824
Energy: 1.3119162915051163
Energy: 1.3300226146169096
Energy: 1.3780548707926565
Energy: 1.3175197614887124
Energy: 1.3559219573448629
Energy: 1.3264144215670701
Energy: 1.3159041613656612
Energy: 1.3459278969219055
Energy: 1.6305336757343227
Energy: 1.3166578638689548
Energy: 1.6347415365475555
Energy: 1.3116441141110753
Energy: 1.3778810644823882
Energy: 1.374494474019416
Energy: 1.324314462850337
Energy: 1.3112618320443503
Energy: 1.3723472195550046
Energy: 1.3453303257138338
Energy: 1.3116379822260507
Energy: 1.3440455079711646
Energy: 1.3195518014243852
Energy: 1.3186165875631042
Energy: 1.317928813486708
Energy: 1.3623069450994383
Energy: 1.316624608971595
Energy: 1.3294480587736912
Energy: 1.6668759034760878
Energy: 1.2984511048359697
Energy: 1.6278035913463986
Energy: 1.311486978965821
Energy: 1.3102074219650313
Energy: 1.3372977997504458
Energy: 1.3270001379243213
Energy: 1.2989994960499351
Energy: 1.3745658697259304
Energy: 1.3119081665878276
Energy: 1.298490577618045
Energy: 1.3435112660193964
Energy: 1.3661229938578707
Energy: 1.3171449361420033
Energy: 1.3599167750281216
Energy: 1.3465206203785631
Energy: 1.298010524264308
Energy: 1.3768932708667394
Energy: 1.3278154809643044
Energy: 1.314235135184752
Energy: 1.3539202245508002
Energy: 1.375542607949988
Energy: 1.3123030465259753
Energy: 1.3405377059820602
Energy: 1.339119232489804
Energy: 1.3268477030368249
Energy: 1.3403549213360584
Energy: 1.31959942597454
Energy: 1.3168502586458872
Energy: 1.3475900931378861
Energy: 1.3124429093747798
Energy: 1.3133140225798403
Energy: 1.362085480527589
Energy: 1.6286032499438856
Energy: 1.316462112962286
Energy: 1.3785796472057845
Energy: 1.484390105375491
Energy: 1.3168494679218854
Energy: 1.3633501445015368
Energy: 1.3139015631334048
Energy: 1.5247837758633729
Energy: 1.327589978738353
Energy: 1.3298204856264626
Energy: 1.6198579662560824
Energy: 1.3270971051197629
Energy: 1.5388935315253058
Energy: 1.300059734710417
Energy: 1.371740500219372
Energy: 1.362941084863973
Energy: 1.318678594595381
Energy: 1.3772508473352565
Energy: 1.3207375358748623

minimum gb energy = 1.298010524264308 eV
minimum distance =  2.23460376929198 Angstroms
sigma value = 9


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

Energy: 2.385331071366654
Energy: 1.4208973189170966
Energy: 1.4625944201015753
Energy: 1.4632380794139457
Energy: 1.462904119014967
Energy: 2.003654861517477
Energy: 1.3373468439803404
Energy: 1.4462766165920267
Energy: 1.445839664281798
Energy: 1.3806507291372978
Energy: 1.5189145173359218
Energy: 1.4148644991488257
Energy: 1.3437409172776675
Energy: 1.3434622915376366
Energy: 1.4282169016237338
Energy: 1.4293135928719298
Energy: 1.4470510670897052
Energy: 1.3419812244468614
Energy: 1.380927244051766
Energy: 1.4375556456486527
Energy: 1.3701785630142307
Energy: 1.348181135275778
Energy: 1.4329342326841155
Energy: 1.367788598403618
Energy: 1.3699245866556444
Energy: 1.3837551791323233
Energy: 1.370782528038281
Energy: 1.3715582188061723
Energy: 1.3676031375097115
Energy: 1.383879612347255
Energy: 1.3490679615850936
Energy: 1.3692908710836051
Energy: 1.383753871347773
Energy: 1.3744223619623703
Energy: 1.397402408270962
Energy: 1.366080503515959
Energy: 1.3789394584113683
Energy: 1.4481847469092382
Energy: 1.3675909964997566
Energy: 1.3783603651681156
Energy: 1.368504131632005
Energy: 1.4086690340484394
Energy: 1.3800288680484856
Energy: 1.4992654143112103
Energy: 1.34297270425365
Energy: 1.3421761672567338
Energy: 1.3425528267795483
Energy: 1.5043435553348055
Energy: 1.3485672566723048
Energy: 1.3712897076073225
Energy: 1.5025021247103592
Energy: 1.3777368389153388
Energy: 1.4959569747884265
Energy: 1.3511703505753516
Energy: 1.3426407844087276
Energy: 1.3447915012456428
Energy: 1.500066716590491
Energy: 1.3782478789394463
Energy: 1.4966539840415212
Energy: 1.4155678434685925
Energy: 1.3371119907311777
Energy: 1.4992940279664644
Energy: 1.3544616860243375
Energy: 1.34246445619002
Energy: 1.3614247969051083
Energy: 1.4335221680546744
Energy: 1.3413993941906546
Energy: 1.5029515488857959
Energy: 1.3712752103323904
Energy: 1.390238878723432
Energy: 1.3959935058977162
Energy: 1.4307766116109688
Energy: 1.34175657723999
Energy: 1.3425021554575505
Energy: 1.5039360899401788
Energy: 1.3940751565114955
Energy: 1.4511338723575353
Energy: 1.343137611697686
Energy: 1.3420734240220973
Energy: 1.369654757880476
Energy: 1.4501901815971694
Energy: 1.390647500305169
Energy: 1.461323668456603
Energy: 1.3814694070572864
Energy: 1.3694976096246059
Energy: 1.3856164046679957
Energy: 1.3651032649398884
Energy: 1.34785925410602
Energy: 1.3664799749332575
Energy: 1.3856820348820342
Energy: 1.36941610844536
Energy: 1.3691591674801487
Energy: 1.3813399916709612
Energy: 1.3841947547910893
Energy: 1.3928898177761566
Energy: 1.3676719915181168
Energy: 1.3499576634722479
Energy: 1.4085687307683479
Energy: 1.3675478071750446
Energy: 1.3663620353765706
Energy: 1.4441148760168678
Energy: 1.4169879343531815
Energy: 1.3829823757478292
Energy: 1.4564334419562732
Energy: 1.3434121510345614
Energy: 1.342403040547025
Energy: 1.3465482976032843
Energy: 1.7295101050181192
Energy: 1.387535544905531
Energy: 1.403018952532176
Energy: 1.4827276934592943
Energy: 1.3491883818185926
Energy: 1.516506609001274
Energy: 1.3701515176096148
Energy: 1.3490895947306722
Energy: 1.3496252043310386
Energy: 1.4108930960860568
Energy: 1.7127763736684805
Energy: 1.3585401189680302
Energy: 1.3488869855574823
Energy: 1.337892528454628
Energy: 1.5109607526278297
Energy: 1.3683243031834997
Energy: 1.3432257703562136
Energy: 1.4478183244273777
Energy: 1.3695197511601123

minimum gb energy = 1.3371119907311777 eV
minimum distance =  2.2360725786099 Angstroms
sigma value = 27


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

Energy: 1.6180411587949393
Energy: 1.4360153519279886
Energy: 1.4768997608856462
Energy: 1.4746711616765378
Energy: 1.47674404369763
Energy: 1.7754205480835548
Energy: 1.3572970053390725
Energy: 1.510302067747225
Energy: 1.3799119456092694
Energy: 1.3701177822114077
Energy: 1.5837021363377586
Energy: 1.4260066235359443
Energy: 1.3580108407036946
Energy: 1.3673759196320232
Energy: 1.5677346868770001
Energy: 1.6377314834927827
Energy: 1.461423090389029
Energy: 1.3654661873947354
Energy: 1.359505009229158
Energy: 1.501820594148539
Energy: 1.5112791739940765
Energy: 1.3710819381193227
Energy: 1.4968878887157375
Energy: 1.3647714951048675
Energy: 1.368102244469792
Energy: 1.4624737052303984
Energy: 1.3804806547191097
Energy: 1.3914646742236998
Energy: 1.381730530530329
Energy: 1.4518420161427283
Energy: 1.3476224954394693
Energy: 1.4955742839019615
Energy: 1.4025780652199287
Energy: 1.3808827944913398
Energy: 1.4043953874310604
Energy: 1.3465396578754594
Energy: 1.362480431720973
Energy: 1.4304860341111065
Energy: 1.3859335951071095
Energy: 1.3866379656545422
Energy: 1.384725247813759
Energy: 1.45747016130801
Energy: 1.3631203643217114
Energy: 1.4562914753470564
Energy: 1.466199650714669
Energy: 1.36812646735761
Energy: 1.4059087333896814
Energy: 1.4576575020464217
Energy: 1.345465353791187
Energy: 1.3609157725782575
Energy: 1.5120369440635024
Energy: 1.3685270187593879
Energy: 1.5047348040476658
Energy: 1.360944663528159
Energy: 1.3310828906480432
Energy: 1.4120346503835397
Energy: 1.5196965507839724
Energy: 1.370027088614834
Energy: 1.5197240071159654
Energy: 1.4148447077657351
Energy: 1.3616365161027602
Energy: 1.4956891995239674
Energy: 1.4069450503913454
Energy: 1.386733047143802
Energy: 1.3600897344454852
Energy: 1.8146232050935716
Energy: 1.360900274873028
Energy: 1.4998197281991452
Energy: 1.3503596845612147
Energy: 1.3449130481707448
Energy: 1.4543031245781126
Energy: 1.503239309676489
Energy: 1.3314390768705433
Energy: 1.3345257894537372
Energy: 1.4945650053702897
Energy: 1.3153792321570763
Energy: 1.3156019922024664
Energy: 1.3343266515420467
Energy: 1.3346658486788618
Energy: 1.3298426240187737
Energy: 1.5020982178270874
Energy: 1.346101254403287
Energy: 1.4963548382388183
Energy: 1.3510403501854733
Energy: 1.4062106091769626
Energy: 1.4926807618177407
Energy: 1.355513310326579
Energy: 1.3417669920308064
Energy: 1.3527024643005334
Energy: 1.5691665037677587
Energy: 1.3476598658480468
Energy: 1.4581333376654984
Energy: 1.3569567734974692
Energy: 1.4369843844404382
Energy: 1.435569866179441
Energy: 1.3882605040459939
Energy: 1.3308261429136203
Energy: 1.4275799159227343
Energy: 1.4813009498293426
Energy: 1.3885627391051152
Energy: 1.3436591344682438
Energy: 1.4273504516655984
Energy: 1.3767515102065755
Energy: 1.3744335898782283
Energy: 1.5363766061136443
Energy: 1.3703684323444614
Energy: 1.3993311161077115
Energy: 1.3759148007813615
Energy: 1.376233131199409
Energy: 1.387939347767592
Energy: 1.4839138176319502
Energy: 1.3661376757326316
Energy: 1.4574552208045313
Energy: 1.3872016529035123
Energy: 1.3828118438233379
Energy: 1.421141073062499
Energy: 1.4569984032384569
Energy: 1.4588171319045298
Energy: 1.4592286316293093
Energy: 1.4652886627655328
Energy: 1.365217089564873
Energy: 1.4957265305246827
Energy: 1.3701081998330993
Energy: 1.367355766332004
Energy: 1.4971829908138208
Energy: 1.4558147301336655
Energy: 1.35563625482957
Energy: 1.466782303986184
Energy: 1.3714039230548063
Energy: 1.364014217496981
Energy: 1.4678956809180845
Energy: 1.7787224012748022
Energy: 1.3645637805476856
Energy: 1.3665991724425917
Energy: 1.584680102847923
Energy: 1.363072624956257
Energy: 1.5945804589074524
Energy: 1.3665743857263803
Energy: 1.3577946461725987
Energy: 1.3963813457350107
Energy: 1.553218157077294
Energy: 1.361852836816373
Energy: 1.3982116831171643
Energy: 1.3558203168417213
Energy: 1.3583154587575414
Energy: 1.5786506883029843
Energy: 1.4593618604898222
Energy: 1.448553124862573
Energy: 1.3870657065568988
Energy: 1.5855961297626708

minimum gb energy = 1.3153792321570763 eV
minimum distance =  2.21654219062562 Angstroms
sigma value = 19


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

Energy: 1.5826294866602628
Energy: 1.2897508426187936
Energy: 1.366532666932409
Energy: 1.3652105646799368
Energy: 1.3659866715191875
Energy: 1.2898918726193376
Energy: 1.25647982341363
Energy: 1.431537761300328
Energy: 1.3372570521022022
Energy: 1.2830566761624502
Energy: 1.5927184841925466
Energy: 1.3354522717836081
Energy: 1.2710243892142854
Energy: 1.321900449978119
Energy: 1.5215132630520478
Energy: 1.5295325305920406
Energy: 1.320629566320811
Energy: 1.322359050865315
Energy: 1.275077380012901
Energy: 1.4986610382360024
Energy: 1.3826297736311333
Energy: 1.283015007432318
Energy: 1.4471064524631263
Energy: 1.323390476118118
Energy: 1.2564139631016944
Energy: 1.3836267561287137
Energy: 1.3267120172303302
Energy: 1.3225675910193022
Energy: 1.3269408313739972
Energy: 1.4556781410625959
Energy: 1.2747053286288565
Energy: 1.3847464733203874
Energy: 1.3694309694814857
Energy: 1.2753852623645052
Energy: 1.369535617084304
Energy: 1.2746325777829108
Energy: 1.2831336427996392
Energy: 1.3335191846293488
Energy: 1.3343962449155282
Energy: 1.3358852181521288
Energy: 1.3332474473130904
Energy: 1.3341137427459306
Energy: 1.2828449101104618
Energy: 1.3345515455009551
Energy: 1.4653502496396447
Energy: 1.2749696959093437
Energy: 1.3347450948007453
Energy: 1.3342082507859487
Energy: 1.2791165973097725
Energy: 1.3267231942769762
Energy: 1.3848604227550154
Energy: 1.2754746028063422
Energy: 1.326496325580171
Energy: 1.3270657205395682
Energy: 1.2831901781343535
Energy: 1.4013972329603677
Energy: 1.4478882201319612
Energy: 1.2746187575982661
Energy: 1.446694694749631
Energy: 1.334188478672913
Energy: 1.2665448156486865
Energy: 1.3255110933216951
Energy: 1.3217369249260196
Energy: 1.3227658982000023
Energy: 1.324655821289553
Energy: 1.4987738750415998
Energy: 1.283478715723114
Energy: 1.6029957982165421
Energy: 1.3947604386111254
Energy: 1.2719122670180794
Energy: 1.3357777027278128
Energy: 1.5950709980443072
Energy: 1.2827911350241807
Energy: 1.2847339893630605
Energy: 1.4245750561298982
Energy: 1.2772189503219413
Energy: 1.3326186944083434
Energy: 1.2850918981234785
Energy: 1.2762861702893842
Energy: 1.337244183353853
Energy: 1.5917327920713427
Energy: 1.2785459824161691
Energy: 1.441080391334052
Energy: 1.3457078400091782
Energy: 1.2736806949725072
Energy: 1.333166232006346
Energy: 1.3669868465684585
Energy: 1.364486658609096
Energy: 1.364244499594212
Energy: 1.5241449474129236
Energy: 1.2566034652457267
Energy: 1.6023286097511296
Energy: 1.3356259102254442
Energy: 1.2829961219971104
Energy: 1.3348546328096165
Energy: 1.523951237071199
Energy: 1.271336457289507
Energy: 1.3220996976401904
Energy: 1.5266334869855929
Energy: 1.545085568432541
Energy: 1.4370176693541132
Energy: 1.321296962942999
Energy: 1.2747421930744367
Energy: 1.322217132832656
Energy: 1.4991568403425297
Energy: 1.2809276530004656
Energy: 1.5375692592637555
Energy: 1.3233746276983007
Energy: 1.2565497690678156
Energy: 1.3837284638197545
Energy: 1.4006351686980703
Energy: 1.2840965758959986
Energy: 1.3272045006179682
Energy: 1.4532406974796848
Energy: 1.2752558415620692
Energy: 1.3697929619117393
Energy: 1.3264433181086372
Energy: 1.285255798711814
Energy: 1.369083225285543
Energy: 1.36891570958591
Energy: 1.274251698205107
Energy: 1.4537093933258933
Energy: 1.3347027216596277
Energy: 1.3364169135199377
Energy: 1.3330403176447276
Energy: 1.3791871431218938
Energy: 1.2832372244066874
Energy: 1.3339618355819312
Energy: 1.3784699843102806
Energy: 1.2742183640685918
Energy: 1.379596704892896
Energy: 1.3342159463896022
Energy: 1.2736143236289226
Energy: 1.3266672923769507
Energy: 1.3277923240432647
Energy: 1.2747549750465166
Energy: 1.3690480405749574
Energy: 1.3264448020174378
Energy: 1.2826025713330196
Energy: 1.4012740737491776
Energy: 1.4484621904320514
Energy: 1.2748196569406547
Energy: 1.447220512715458
Energy: 1.401646555754333
Energy: 1.2834553471911785
Energy: 1.49920906297502
Energy: 1.3229907306273836
Energy: 1.274811239230846
Energy: 1.3213799130024746
Energy: 1.4987704869721294
Energy: 1.266874125114159
Energy: 1.4370142052142127
Energy: 1.3223143850467867
Energy: 1.272566488799659
Energy: 1.3238134287641365
Energy: 1.605815008383918
Energy: 1.2833806830295365
Energy: 1.3350009194563344
Energy: 1.6018133016121738
Energy: 1.3090376884969972
Energy: 1.4399555758169333
Energy: 1.2836202352278456
Energy: 1.2710697690113433
Energy: 1.3495286294128783
Energy: 1.4241798772256902
Energy: 1.27744828269674
Energy: 1.3335515874317327
Energy: 1.273679917025505
Energy: 1.2737725236445525
Energy: 1.606370598472196
Energy: 1.3959477014273907
Energy: 1.3642637978298449
Energy: 1.3943828900273783
Energy: 1.522163110254675

minimum gb energy = 1.2564139631016944 eV
minimum distance =  2.22174731712706 Angstroms
sigma value = 101


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

Energy: 1.4637038351371074
Energy: 1.2598530505271095
Energy: 1.3041301455831489
Energy: 1.3301464106668228
Energy: 1.3269485142783293
Energy: 1.5682050677505122
Energy: 1.209139064767084
Energy: 1.4175736056146868
Energy: 1.2119254446881975
Energy: 1.2388624736932419
Energy: 1.5994489010310893
Energy: 1.2113186316081852
Energy: 1.2217302962962564
Energy: 1.2332586907933274
Energy: 1.5415387850737656
Energy: 1.5425157157119072
Energy: 1.2957670980988696
Energy: 1.2225444273302115
Energy: 1.2337749155423399
Energy: 1.5500028447438607
Energy: 1.377628002189769
Energy: 1.2109777798777832
Energy: 1.4573431303308209
Energy: 1.3230020459582041
Energy: 1.2072072444287867
Energy: 1.3816630147445836
Energy: 1.3069009873014477
Energy: 1.2169341538451073
Energy: 1.308128199038035
Energy: 1.3779660393821689
Energy: 1.2335043272629707
Energy: 1.3359169121278573
Energy: 1.309283747363933
Energy: 1.2107577607643858
Energy: 1.3076419970840143
Energy: 1.23680361734851
Energy: 1.233742258956651
Energy: 1.2839788849988583
Energy: 1.336243497202539
Energy: 1.3429377580800694
Energy: 1.35348267433981
Energy: 1.2837215038709708
Energy: 1.2212584244997
Energy: 1.2852212205486775
Energy: 1.210675210807437
Energy: 1.211617581724448
Energy: 1.2847655461143224
Energy: 1.2840666490339676
Energy: 1.2520932387880683
Energy: 1.285324648131488
Energy: 1.3357541490181064
Energy: 1.2388757942645774
Energy: 1.3025271281952502
Energy: 1.2839797180482977
Energy: 1.2339482652065459
Energy: 1.4037439471617534
Energy: 1.3358973303963442
Energy: 1.2123955899176204
Energy: 1.336016920422216
Energy: 1.3121427409866908
Energy: 1.2343330130679542
Energy: 1.3046474952897913
Energy: 1.2478152860169516
Energy: 1.2459343971631496
Energy: 1.3083510553809268
Energy: 1.4621499086438619
Energy: 1.2335765388038078
Energy: 1.4570171083691168
Energy: 1.447608795151899
Energy: 1.2149730501049194
Energy: 1.4500316260592243
Energy: 1.4608574746991616
Energy: 1.2348232149684384
Energy: 1.3019228706463484
Energy: 1.3019806587522624
Energy: 1.2303831056396641
Energy: 1.3018647294875119
Energy: 1.23530140258212
Energy: 1.2145953156902964
Energy: 1.3092290663787052
Energy: 1.6029838227622972
Energy: 1.2299744764932654
Energy: 1.6147599008810574
Energy: 1.3086680591820832
Energy: 1.2362348804744683
Energy: 1.211821878097916
Energy: 1.2127601041513294
Energy: 1.2388144637777192
Energy: 1.2130831155213586
Energy: 1.4139826847647554
Energy: 1.2432746106936277
Energy: 1.599559449312559
Energy: 1.3730624870086947
Energy: 1.2138462262542804
Energy: 1.39910039326304
Energy: 1.2771540808394566
Energy: 1.304814820074372
Energy: 1.2164253644717922
Energy: 1.2539922857552397
Energy: 1.5416075302203167
Energy: 1.2161832169722253
Energy: 1.2195126256275086
Energy: 1.238444425697878
Energy: 1.400195787273487
Energy: 1.5990102831176423
Energy: 1.209241129726167
Energy: 1.6141488446184207
Energy: 1.2123345171211808
Energy: 1.2516706009360064
Energy: 1.4917062320513335
Energy: 1.27922153864726
Energy: 1.2196818965168774
Energy: 1.2794199747507762
Energy: 1.5435295335849897
Energy: 1.252757715443532
Energy: 1.5185708605899604
Energy: 1.3040271845800262
Energy: 1.233443273937544
Energy: 1.2958199248498723
Energy: 1.3780904788494404
Energy: 1.2107272926670296
Energy: 1.378001441417757
Energy: 1.4631533887986996
Energy: 1.3767042836641077
Energy: 1.4465213323285782
Energy: 1.3715288064345001
Energy: 1.2118706465654492
Energy: 1.3089071055774617
Energy: 1.3650230335212168
Energy: 1.2329614385178125
Energy: 1.3083682878604428
Energy: 1.2465894799786006
Energy: 1.2389942941817211
Energy: 1.3354433085952295
Energy: 1.348942613158234
Energy: 1.221169458078677
Energy: 1.3491814585804127
Energy: 1.3418424830467448
Energy: 1.2124380317724397
Energy: 1.3047952073869074
Energy: 1.2835077298864872
Energy: 1.2351932550546476
Energy: 1.2850289935748442
Energy: 1.3278200074594781
Energy: 1.2112429847433157
Energy: 1.3049408147835335
Energy: 1.2836573677134255
Energy: 1.2846971669768155
Energy: 1.283541142586747
Energy: 1.3046123039816355
Energy: 1.238493679091451
Energy: 1.3353743990479305
Energy: 1.403249490753628
Energy: 1.235152825955357
Energy: 1.411371128533044
Energy: 1.3375291416999224
Energy: 1.2115504411132618
Energy: 1.308372927320191
Energy: 1.308297734177477
Energy: 1.2330305933238974
Energy: 1.3085815489681896
Energy: 1.2471378731758056
Energy: 1.246163879443495
Energy: 1.3086185198147176
Energy: 1.4596167338663426
Energy: 1.2337585299661542
Energy: 1.4594650469733579
Energy: 1.2482155204813625
Energy: 1.2301541656473969
Energy: 1.5198791579523294
Energy: 1.2954117502996358
Energy: 1.2351532066835471
Energy: 1.2318903772917134
Energy: 1.5170226777661588
Energy: 1.2301814724221094
Energy: 1.3019807099985128
Energy: 1.2157323333931245
Energy: 1.2155779081643319
Energy: 1.2786261368864988
Energy: 1.6132225053668854
Energy: 1.2388818898110625
Energy: 1.211270792898743
Energy: 1.615995536452696
Energy: 1.2426505932155882
Energy: 1.2109948299425655
Energy: 1.2120762752702972
Energy: 1.2145416901178938
Energy: 1.3093091489172648
Energy: 1.6126556237573795
Energy: 1.2430400045414047
Energy: 1.2124751592561778
Energy: 1.2146227212638006
Energy: 1.2579334741224635
Energy: 1.2110215326558673
Energy: 1.2799212937369648
Energy: 1.3045620533864688
Energy: 1.2802539565094342
Energy: 1.5357585328316297

minimum gb energy = 1.2072072444287867 eV
minimum distance =  2.21475224377944 Angstroms
sigma value = 33


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

Energy: 0.014416823258167524
Energy: 0.015224076515229645
Energy: 0.09047552855113555
Energy: 0.09020309996302951
Energy: 0.09191198849444276
Energy: 0.015111086008826687
Energy: 0.014553349380395436
Energy: 0.10489352544031579
Energy: 0.10475822708975184
Energy: 0.10596944571736874
Energy: 0.10394341631674846
Energy: 0.10539176418615483
Energy: 0.8608646346629076
Energy: 0.09389524371802878
Energy: 0.015065467155940069
Energy: 0.016569942941655768
Energy: 0.09164136436430118
Energy: 0.09013915885194008
Energy: 0.10389575544933712
Energy: 0.1048935254409872
Energy: 0.10475822708904094
Energy: 0.10596944571665785
Energy: 0.10394341632022397
Energy: 0.10539176418615483

minimum gb energy = 0.014416823258167524 eV
minimum distance =  2.44470047245185 Angstroms
sigma value = 1