Model name: model_name=MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5213917419314393
cohesive_energy=4.450350014970536
mass=58.6934
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=[2.46424379369004e-19, 3.2431099207764596e-19, 3.8238669070687797e-19, 4.2934809002605197e-19, 4.68817711404642e-19, 5.02724575509984e-19, 5.322430778147999e-19, 5.58159887046384e-19, 5.810293563201e-19, 6.01261642854252e-19, 6.1917237544573795e-19, 6.35011493649462e-19, 6.48982473897942e-19, 6.612487382078459e-19, 6.719496759463319e-19, 6.81202246007682e-19, 6.89110589873106e-19, 6.95759622904206e-19, 7.012278517560479e-19, 7.055809656706259e-19, 7.088798473600319e-19, 7.11180573006456e-19, 7.1252800355565e-19, 7.1296860213e-19, 7.12492755669702e-19, 7.109514617477939e-19, 7.081444482850259e-19, 7.038361953161999e-19, 6.977431175770979e-19, 6.895223492680439e-19, 6.787573244641979e-19, 6.64941755349216e-19, 6.474539973891059e-19, 6.2552981232945e-19, 5.982159050730179e-19, 5.6432346055738195e-19, 5.223480349232159e-19, 4.70376629269524e-19, 4.0594830028648193e-19, 3.2586510341262596e-19, 2.25913314100536e-19, 1.0047233650047659e-19, -5.806480382812079e-20, -2.60190281008332e-19, -5.206417168080059e-19, -8.605915550101259e-19, -1.3112662182113519e-18, -1.9200965434846197e-18, -2.76173595109116e-18, -3.95894641908132e-18, -5.724208612656179e-18, -8.450680656032999e-18, -1.2930478677061378e-17, -2.09550284137494e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

========================================
theta = 0.0
========================================

Energy: 0.018089586730074873
Energy: 0.018926218612603254
Energy: 0.018947165139908826
Energy: 0.018368363683007413
Energy: 0.7793767647043861
Energy: 0.018655555154214607
Energy: 0.018926218612933754
Energy: 0.13803848033638663
Energy: 0.13804913127103902
Energy: 0.13812222884120468
Energy: 0.13808006882827825
Energy: 0.13927525574683558
Energy: 0.018947165139615047
Energy: 0.13804913127103902
Energy: 0.13928063163759996
Energy: 0.018888186179145488
Energy: 0.1380608413704113
Energy: 0.13881156926611185
Energy: 0.018368363683337913
Energy: 0.13812222884120468
Energy: 0.018888186179475994
Energy: 0.018398304950699943
Energy: 0.13808002119648824
Energy: 0.018566951557931543
Energy: 0.7793767647056714
Energy: 0.13808006882860874
Energy: 0.1380608413707418
Energy: 0.13808002119648824
Energy: 0.1379432647750985
Energy: 0.13812910419740684
Energy: 0.018655555153884104
Energy: 0.13927525574683558
Energy: 0.13881156926611185
Energy: 0.018566951557601043
Energy: 0.13812910419711308
Energy: 0.0184764926050625

minimum gb energy = 0.018089586730074873 eV
minimum distance =  2.48754419987084 Angstroms
sigma value = 1


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

Energy: 1.942712307522487
Energy: 1.2537328279200401
Energy: 1.2680435014444287
Energy: 1.1550090845904162
Energy: 1.3620357681783097
Energy: 1.3075376218547246
Energy: 1.9215523057102868
Energy: 1.3200716840321929
Energy: 1.277517320342568
Energy: 1.2465041060422177
Energy: 1.305495902034465
Energy: 1.266801055023475
Energy: 2.00945281608178
Energy: 1.319244328489376
Energy: 1.30899746117459
Energy: 1.271297538043151
Energy: 1.3006976104496184
Energy: 1.3090044469554787
Energy: 2.036389513073902
Energy: 1.2992798266014036
Energy: 1.238807225516643
Energy: 1.2307055425614195
Energy: 1.3001234600847418
Energy: 1.230685601990486
Energy: 1.832271775471898
Energy: 1.2644890217228864
Energy: 1.2643099999523992
Energy: 1.2652374972907912
Energy: 1.2546130003248086
Energy: 1.2711770769273782
Energy: 1.8177736719154534
Energy: 1.2564828212193577
Energy: 1.2612334060839379
Energy: 1.2648197776023415
Energy: 1.2542884450969392
Energy: 1.2607377247218108
Energy: 1.8195290367355041
Energy: 1.2616878982446535
Energy: 1.2476901027279008
Energy: 1.2453225686379992
Energy: 1.286975472227147
Energy: 1.2656297357674129
Energy: 1.7951145897298446
Energy: 1.2708068967856356
Energy: 1.2621244379351633
Energy: 1.2337255226224364
Energy: 1.2710220899625524
Energy: 1.2666757045504846
Energy: 1.4518179542249188
Energy: 1.2736525689282734
Energy: 1.2529878463254107
Energy: 1.2531042072384457
Energy: 1.2602608353148173
Energy: 1.2566201266594383
Energy: 1.4514698976699012
Energy: 1.2798149697739758
Energy: 1.2768270614827286
Energy: 1.2525271841438015
Energy: 1.2798315732288648
Energy: 1.2748978796675274
Energy: 1.5051449337685179
Energy: 1.2397922323727446
Energy: 1.2300050644360943
Energy: 1.335514579524867
Energy: 1.2478998121584728
Energy: 1.2927486186461066
Energy: 1.3059238195645921
Energy: 1.3098479717855709
Energy: 1.309662003223196
Energy: 1.298978222755574
Energy: 1.263844872238819
Energy: 1.3115474104755174
Energy: 1.304938278726387
Energy: 1.2635084132115262
Energy: 1.2624727822307307
Energy: 1.3053732948591714
Energy: 1.2682054992613823
Energy: 1.2934831961891247
Energy: 1.454401325898005
Energy: 1.2674949113444018
Energy: 1.242942636726952
Energy: 1.305523335774954
Energy: 1.2675193157923221
Energy: 1.2979937697631523
Energy: 1.3513493302485329
Energy: 1.2592110664592644
Energy: 1.2628473352600569
Energy: 1.2886417284766765
Energy: 1.2598826695369023
Energy: 1.2729106102390866
Energy: 1.345406154589811
Energy: 1.3107565998110031
Energy: 1.3048723647124991
Energy: 1.28451956965635
Energy: 1.280953330493917
Energy: 1.3053768867558158
Energy: 1.6176974804897948
Energy: 1.258766267757262
Energy: 1.2582475067301029
Energy: 1.3049269455322143
Energy: 1.2576695516717646
Energy: 1.2498274015908764
Energy: 1.6138143353342609
Energy: 1.274413797132349
Energy: 1.2565257524531592
Energy: 1.2589497940177663
Energy: 1.2751531826752567
Energy: 1.2555162287695554
Energy: 1.6186608931331679
Energy: 1.2599703273548901
Energy: 1.2625386999653854
Energy: 1.245370138212724
Energy: 1.2597978415710507
Energy: 1.2612939108077517
Energy: 1.7064804368605968
Energy: 1.2529538287188053
Energy: 1.2661844843497327
Energy: 1.2554706013024373
Energy: 1.2511496395751047
Energy: 1.2612970662760152
Energy: 1.9201526157559858
Energy: 1.2631945943957996
Energy: 1.2822584640716188
Energy: 1.2477139882277972
Energy: 1.2454446622609083
Energy: 1.2469694504926674
Energy: 1.9257019352077729
Energy: 1.2988347611772852
Energy: 1.30524620211845
Energy: 1.2666923951115712
Energy: 1.283465875933136
Energy: 1.3054285872150306
Energy: 1.9224402048148344
Energy: 1.3205123824729479
Energy: 1.276863453131559
Energy: 1.2443121030950068
Energy: 1.2980285082553353
Energy: 1.2670146370012008

minimum gb energy = 1.1550090845904162 eV
minimum distance =  2.28878706456221 Angstroms
sigma value = 33


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

Energy: 2.7884683539453885
Energy: 1.4372724655400402
Energy: 1.4467523544522698
Energy: 1.2761061159495983
Energy: 1.3572304321955455
Energy: 1.3689205754094773
Energy: 1.8084632223194972
Energy: 1.3400057334673938
Energy: 1.381589066627244
Energy: 1.3588687740315395
Energy: 1.3409544187554547
Energy: 1.3819761628364466
Energy: 2.0601922845303586
Energy: 1.3608789000658221
Energy: 1.362462572421471
Energy: 1.3878528756804662
Energy: 1.3514628174039984
Energy: 1.3357493445919548
Energy: 2.021713386577769
Energy: 1.4192125991335478
Energy: 1.3986011990832297
Energy: 1.2974063076716351
Energy: 1.455858888736909
Energy: 1.304564471581497
Energy: 1.892630227434912
Energy: 1.4289786030096467
Energy: 1.431808566267489
Energy: 1.3352456103358572
Energy: 1.3919453313682022
Energy: 1.4363824612428864
Energy: 1.9290868443059446
Energy: 1.380051417885257
Energy: 1.3959412840329468
Energy: 1.3456790397906397
Energy: 1.38380936553962
Energy: 1.3812686318122973
Energy: 1.929014335777148
Energy: 1.3831158041597102
Energy: 1.3803934605055301
Energy: 1.3644553866106004
Energy: 1.3825956998156108
Energy: 1.3810147089497022
Energy: 1.7310114598534898
Energy: 1.3415188927284203
Energy: 1.3343908764288805
Energy: 1.4420690475915188
Energy: 1.3408310675120576
Energy: 1.3454897364519711
Energy: 1.5559638517709387
Energy: 1.3573069024787887
Energy: 1.3602792650333984
Energy: 1.373755063887739
Energy: 1.3569298064564677
Energy: 1.36763972646771
Energy: 1.525639067502415
Energy: 1.3899304109120973
Energy: 1.3899363447651516
Energy: 1.367102964172821
Energy: 1.3881621354778362
Energy: 1.3516507932253903
Energy: 1.5334857403162907
Energy: 1.3073122171926226
Energy: 1.3653263876300663
Energy: 1.5160712961869816
Energy: 1.3071409302560504
Energy: 1.3396388926704867
Energy: 1.397032413130588
Energy: 1.38926504186
Energy: 1.389637753226567
Energy: 1.3615728662481512
Energy: 1.3933101526515532
Energy: 1.3900647827080335
Energy: 1.4079949526432431
Energy: 1.3644135252818061
Energy: 1.3599431291781343
Energy: 1.385585790542665
Energy: 1.3646484219227344
Energy: 1.3977223837798245
Energy: 1.6323917041960798
Energy: 1.341717379662507
Energy: 1.3414890597982059
Energy: 1.3926508940855091
Energy: 1.3193647533560084
Energy: 1.3976208808758266
Energy: 1.5522237759223934
Energy: 1.3601866430592824
Energy: 1.4032536812199008
Energy: 1.4254114589792377
Energy: 1.3844825232762121
Energy: 1.4081826689902892
Energy: 1.5391335229396244
Energy: 1.4068818315682219
Energy: 1.4403114132038448
Energy: 1.3785419293447652
Energy: 1.3728057700617344
Energy: 1.4384439063461762
Energy: 1.732221163723047
Energy: 1.3567105428943482
Energy: 1.4205648054851852
Energy: 1.462279404245223
Energy: 1.3569706355089042
Energy: 1.4201790166481927
Energy: 1.755502949446487
Energy: 1.394927811352384
Energy: 1.4063465828330672
Energy: 1.3427601598480303
Energy: 1.4395536271362146
Energy: 1.3433857059168388
Energy: 1.7566871483300255
Energy: 1.3996782498217406
Energy: 1.4058601951927163
Energy: 1.3314207476458997
Energy: 1.4004817652804304
Energy: 1.369079248938151
Energy: 1.874313147055238
Energy: 1.3999193367893779
Energy: 1.4015174336128493
Energy: 1.4245693270810458
Energy: 1.3984743245407347
Energy: 1.4056757507297901
Energy: 1.9671271891890496
Energy: 1.416684282606882
Energy: 1.2912492310462182
Energy: 1.2746347446179764
Energy: 1.4027843030418647
Energy: 1.292383729793242
Energy: 1.978536954509124
Energy: 1.4010353218531781
Energy: 1.4258452573384357
Energy: 1.3384823382199262
Energy: 1.4017455577895985
Energy: 1.433817858977719
Energy: 1.867318961225304
Energy: 1.410294724525381
Energy: 1.434243058411269
Energy: 1.3801884811100371
Energy: 1.4102176039101157
Energy: 1.405429418402636
Energy: 2.2635684343129707
Energy: 1.510688796484703
Energy: 1.5107735006833798
Energy: 1.3464151168593426
Energy: 1.534608176932533
Energy: 1.3359672318028204
Energy: 1.8643296442054103
Energy: 1.4272244711804154
Energy: 1.4342243606120155
Energy: 1.4428424071662338
Energy: 1.4271013892401374
Energy: 1.444819431834326
Energy: 1.9315423346762877
Energy: 1.37680131085084
Energy: 1.3991722086879346
Energy: 1.4199653860836414
Energy: 1.3793834956356388
Energy: 1.3948560626692257
Energy: 1.9295339886018272
Energy: 1.3735422862943378
Energy: 1.378780051145161
Energy: 1.364601871781458
Energy: 1.3623191525017315
Energy: 1.3398208742240285
Energy: 1.7276839543615754
Energy: 1.3343570745829652
Energy: 1.3349830916517669
Energy: 1.3884994326218705
Energy: 1.3305824958993744
Energy: 1.3747420151313912
Energy: 1.551399052316225
Energy: 1.3333413010552848
Energy: 1.3431236639327924
Energy: 1.3723444430449172
Energy: 1.333720761213425
Energy: 1.3715600103929955
Energy: 1.52644155445471
Energy: 1.3509734758078102
Energy: 1.358321183974103
Energy: 1.3654577896908546
Energy: 1.3519430868784625
Energy: 1.3558334999483117
Energy: 1.6587648752243096
Energy: 1.3071923325847319
Energy: 1.3075958913036683
Energy: 1.351473602958624
Energy: 1.3039783113296306
Energy: 1.3068571648274026
Energy: 1.397187826919626
Energy: 1.3682525663486624
Energy: 1.3893710756331865
Energy: 1.3597435069788493
Energy: 1.3906021231604648
Energy: 1.3892991983216745
Energy: 1.4080532332914453
Energy: 1.366624860569361
Energy: 1.3669352787364681
Energy: 1.3784908501125503
Energy: 1.3496723884162949
Energy: 1.3949051446190825
Energy: 1.4433892703935776
Energy: 1.303834387527432
Energy: 1.345866012594051
Energy: 1.3929268927650318
Energy: 1.3446145387910926
Energy: 1.3576826077812323
Energy: 1.5636313013334557
Energy: 1.3441177036711107
Energy: 1.370059109044301
Energy: 1.3935988508568402
Energy: 1.3433927531068799
Energy: 1.4061511180925645
Energy: 1.537667565360351
Energy: 1.3897721895998774
Energy: 1.428912121361674
Energy: 1.4253895440648285
Energy: 1.4211240941461953
Energy: 1.4452839580814079
Energy: 1.5343838488340358
Energy: 1.3488577558541996
Energy: 1.3158579406969595
Energy: 1.3242163800178675
Energy: 1.2564964084824626
Energy: 1.433327584104789
Energy: 1.7576277147205461
Energy: 1.444865608004534
Energy: 1.3624285952189295
Energy: 1.3581310173040968
Energy: 1.4440536549211727
Energy: 1.4469242647748666
Energy: 1.7557209067704331
Energy: 1.3529472887704488
Energy: 1.3155633397115276
Energy: 1.3333965308195939
Energy: 1.3332094948877944
Energy: 1.322581482590715
Energy: 1.9262434656495018
Energy: 1.3454686951956827
Energy: 1.3433232127020818
Energy: 1.3357129765178504
Energy: 1.346577767065373
Energy: 1.354393459404461
Energy: 1.955257224261002
Energy: 1.3564080104012508
Energy: 1.3259169169320728
Energy: 1.2747958702606537
Energy: 1.356592844070924
Energy: 1.3747824494221221

minimum gb energy = 1.2564964084824626 eV
minimum distance =  2.21329032470138 Angstroms
sigma value = 51


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

Energy: 2.230121648090874
Energy: 1.461094126656463
Energy: 1.3561747834236026
Energy: 1.3211310158337264
Energy: 1.3156843663219449
Energy: 1.281718984586365
Energy: 1.8829598009431923
Energy: 1.3152920564988562
Energy: 1.3217473214691737
Energy: 1.289946083843605
Energy: 1.3152418429926034
Energy: 1.3784488871980423
Energy: 1.8593292241161612
Energy: 1.3117998248584444
Energy: 1.3488009467383932
Energy: 1.3657432567561796
Energy: 1.3126788744544673
Energy: 1.3228036691285874
Energy: 1.8594736794868012
Energy: 1.32792362362664
Energy: 1.3279201591068095
Energy: 1.3052021629789337
Energy: 1.3136413706667533
Energy: 1.3042092961743743
Energy: 1.7000171591341693
Energy: 1.3290314386831434
Energy: 1.338124558088475
Energy: 1.2789504361490094
Energy: 1.3287136952701957
Energy: 1.3347236739176311
Energy: 1.5615236340293621
Energy: 1.3139055532482042
Energy: 1.31046382282745
Energy: 1.3440161795049173
Energy: 1.3118101844712315
Energy: 1.3172201806910637
Energy: 1.5616991537046456
Energy: 1.305823455015075
Energy: 1.3165282936336689
Energy: 1.3438817761163633
Energy: 1.3920678559879802
Energy: 1.3168591591352417
Energy: 1.6809237582585437
Energy: 1.214978500605254
Energy: 1.2143971540599547
Energy: 1.3130461824621336
Energy: 1.215298023378855
Energy: 1.2146892530392104
Energy: 1.3142684488765675
Energy: 1.3753606545403436
Energy: 1.3266355818087443
Energy: 1.3143682453059828
Energy: 1.3750585360071956
Energy: 1.2819543420608663
Energy: 1.3158771454314517
Energy: 1.2819888436856004
Energy: 1.348533245889443
Energy: 1.3159060834249428
Energy: 1.2827174334022724
Energy: 1.3482960646843714
Energy: 1.3155881342416114
Energy: 1.280944915589622
Energy: 1.28079095923906
Energy: 1.315652041510415
Energy: 1.281324982054393
Energy: 1.4674123140740685
Energy: 1.3721192294407174
Energy: 1.2807589499885779
Energy: 1.348487227849793
Energy: 1.314725074085419
Energy: 1.3300442186100512
Energy: 1.3480094217069125
Energy: 1.3693886993180848
Energy: 1.287434810329994
Energy: 1.2889498122289291
Energy: 1.3116852350777168
Energy: 1.3563073694301813
Energy: 1.2950661015590565
Energy: 1.3717182409175948
Energy: 1.2713007689088844
Energy: 1.3056189457407872
Energy: 1.3133472775761248
Energy: 1.2711591228303052
Energy: 1.2703479653177503
Energy: 1.675183099802693
Energy: 1.3918175812732307
Energy: 1.3495660885630039
Energy: 1.3335443617189926
Energy: 1.4389842375805824
Energy: 1.3433684883366852
Energy: 1.6752968108415798
Energy: 1.3091343384232144
Energy: 1.3143488784360642
Energy: 1.3706609256627003
Energy: 1.3091466738523854
Energy: 1.3718340062962244
Energy: 1.9467602016493943
Energy: 1.3104758142898132
Energy: 1.309600555150749
Energy: 1.344947004455614
Energy: 1.3113448671101666
Energy: 1.3748963593849808
Energy: 2.0384971049755363
Energy: 1.325830502737129
Energy: 1.3332308286437329
Energy: 1.212465126877532
Energy: 1.3256564247928957
Energy: 1.3436346682980493

minimum gb energy = 1.212465126877532 eV
minimum distance =  2.29538452352014 Angstroms
sigma value = 19


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

Energy: 1.8361214418819733
Energy: 1.2140447959736784
Energy: 1.3992304910781515
Energy: 1.401048676431334
Energy: 1.1596113362611686
Energy: 1.401318350580227
Energy: 1.8766380167140038
Energy: 1.1813702977016494
Energy: 1.1811025658246133
Energy: 1.2924130976308728
Energy: 1.1812095874825113
Energy: 1.1811255357819186
Energy: 1.89907649735482
Energy: 1.1813070525968132
Energy: 1.1813191286428477
Energy: 1.403668015098054
Energy: 1.1812337745127843
Energy: 1.302640427246315
Energy: 1.4946869058631018
Energy: 1.1809817127705284
Energy: 1.1810524472286563
Energy: 1.2006370346765698
Energy: 1.180868778504139
Energy: 1.181382045682041
Energy: 1.476995315609361
Energy: 1.303084628180005
Energy: 1.3024688025115982
Energy: 1.2947079485490447
Energy: 1.3022683448287473
Energy: 1.3025924919404994
Energy: 1.478478361529792
Energy: 1.1492847553786003
Energy: 1.2216025231473278
Energy: 1.2897341733655978
Energy: 1.149158122786072
Energy: 1.2070496823743981
Energy: 1.4775153778180066
Energy: 1.2949772770111905
Energy: 1.2943512556853505
Energy: 1.2899862216337592
Energy: 1.2935294908036226
Energy: 1.2229740417364172
Energy: 1.3332141416528158
Energy: 1.1108600163369002
Energy: 1.1072694915514933
Energy: 1.3324020379427506
Energy: 1.109515157943877
Energy: 1.106656689341844
Energy: 1.1810154562648203
Energy: 1.2671784540821334
Energy: 1.2799761886343428
Energy: 1.1811631618033533
Energy: 1.1067282344877758
Energy: 1.2799568518185738
Energy: 1.181002709642987
Energy: 1.4033592915850504
Energy: 1.3025713109368573
Energy: 1.1812097947083064
Energy: 1.4034695892588995
Energy: 1.181224293313507
Energy: 1.1808249877309906
Energy: 1.2006980382663317
Energy: 1.2008805376612788
Energy: 1.1807944112818098
Energy: 1.202554929518032
Energy: 1.1812049053520777
Energy: 1.5814604905438028
Energy: 1.4032475769198411
Energy: 1.3023640302449784
Energy: 1.3017660794754973
Energy: 1.4034333210770353
Energy: 1.3024942609072385
Energy: 1.148885406056712
Energy: 1.2072429278123522
Energy: 1.2235407518297472
Energy: 1.1493561952866744
Energy: 1.2895578951681286
Energy: 1.223057916022689
Energy: 1.5817210922084874
Energy: 1.2881120000917614
Energy: 1.2894561796641248
Energy: 1.3021018327604268
Energy: 1.2899024610148027
Energy: 1.3900520192267456
Energy: 1.790820223283821
Energy: 1.3023424038406688
Energy: 1.302224974738532
Energy: 1.1070973545248535
Energy: 1.3020972680284253
Energy: 1.2798535285299204
Energy: 1.7907132033913804
Energy: 1.1816687969852577
Energy: 1.1494982824264621
Energy: 1.1088293069107424
Energy: 1.1820965494764755
Energy: 1.106813753026144
Energy: 1.4772648586774413
Energy: 1.1812144623880354
Energy: 1.1810774530858967
Energy: 1.4042427211280364
Energy: 1.1811305718184337
Energy: 1.3033782611846105
Energy: 1.4735086457737645
Energy: 1.1812293752726113
Energy: 1.1813431165790256
Energy: 1.2021847408040052
Energy: 1.180893552223868
Energy: 1.1812434338518225
Energy: 1.4718992820574734
Energy: 1.3024868408987849
Energy: 1.3026315867043918
Energy: 1.2018357452517074
Energy: 1.1813087832789568
Energy: 1.3026679398393315
Energy: 1.4776045325420895
Energy: 1.1492680714175552
Energy: 1.2218196353117123
Energy: 1.2073101376167512
Energy: 1.1491849601782502
Energy: 1.2217802103673145
Energy: 1.475277088991405
Energy: 1.3039370617539505
Energy: 1.395005515118402
Energy: 1.2897443481103645
Energy: 1.302274394349048
Energy: 1.2947950919821478
Energy: 1.477508326344773
Energy: 1.403472780343571
Energy: 1.4030184427805032
Energy: 1.3016564805161013
Energy: 1.4036836473349747
Energy: 1.3021742983184297
Energy: 1.1598065067794512
Energy: 1.1065165672104973
Energy: 1.1965244046376695
Energy: 1.1596817827788017
Energy: 1.1068439222422597
Energy: 1.4006175090864994
Energy: 1.1811600851966686
Energy: 1.2911393388015988
Energy: 1.3023243050751845
Energy: 1.1813872511882613
Energy: 1.2677832903904114
Energy: 1.180987377600366
Energy: 1.1811458315969863
Energy: 1.4030954800378623
Energy: 1.302653292069138
Energy: 1.181138878874151
Energy: 1.4036583635923081
Energy: 1.1811876608845235
Energy: 1.3333050691069364
Energy: 1.2014848509176201
Energy: 1.201425462796624
Energy: 1.1808349182883453
Energy: 1.2016308902072739
Energy: 1.181084673075236
Energy: 1.5801444378853349
Energy: 1.4035042649423102
Energy: 1.302414806807361
Energy: 1.302954954538711
Energy: 1.295069166239017
Energy: 1.30242178962699
Energy: 1.1490955846871385
Energy: 1.2887191270024765
Energy: 1.2076732320935109
Energy: 1.149142513124715
Energy: 1.289619150882427
Energy: 1.2211595756769618
Energy: 1.5813825100656744
Energy: 1.2897877349034788
Energy: 1.2070543619374383
Energy: 1.2940528877081983
Energy: 1.2900798376267437
Energy: 1.2944801184249852
Energy: 1.7904980194833213
Energy: 1.3017232506034917
Energy: 1.1325216354045275
Energy: 1.1105653998912244
Energy: 1.1815219723907044
Energy: 1.107280350568716

minimum gb energy = 1.1065165672104973 eV
minimum distance =  2.37858663802516 Angstroms
sigma value = 27


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

Energy: 1.5305690690566092
Energy: 1.4226957794875519
Energy: 1.4231676230841241
Energy: 1.2981958871501327
Energy: 1.2303061543262832
Energy: 1.4085765330559055
Energy: 1.270589501165412
Energy: 1.2198403852824953
Energy: 1.219613453396229
Energy: 1.173174053834871
Energy: 1.2198798997908356
Energy: 1.2303653097950686
Energy: 1.336268284850267
Energy: 1.2194791754265737
Energy: 1.219589653703416
Energy: 1.1488265953213397
Energy: 1.2206694270854666
Energy: 1.2199347777926
Energy: 1.3389322688783667
Energy: 1.2198102396438388
Energy: 1.2200622370569663
Energy: 1.15888936975271
Energy: 1.2199507695275937
Energy: 1.0660997651707038
Energy: 1.4408970793427034
Energy: 1.0442584978572167
Energy: 1.0678945968543339
Energy: 1.2555313253518754
Energy: 1.045106183410363
Energy: 1.0677196571124867
Energy: 1.2223729988009704
Energy: 1.2931186462635442
Energy: 1.0444718738800018
Energy: 1.2219432450779115
Energy: 1.2868810390389473
Energy: 1.0444478118292941
Energy: 1.2211314000072837
Energy: 1.1060984508742397
Energy: 1.1092847063100162
Energy: 1.2204008278297165
Energy: 1.1732086905611128
Energy: 1.2193997927094768
Energy: 1.2883858059532074
Energy: 1.0620829132751042
Energy: 1.061656627800685
Energy: 1.220902701464065
Energy: 1.2168777009840799
Energy: 1.0624087001016904
Energy: 1.3364673987490598
Energy: 1.0621814331558896
Energy: 1.1063061647365238
Energy: 1.2268237999296239
Energy: 1.0646802805848585
Energy: 1.1055374962665303
Energy: 1.1334105303437652
Energy: 1.1482174847922313
Energy: 1.1867091956198268
Energy: 1.225072699110516
Energy: 1.1477126507061621
Energy: 1.1476307525042868
Energy: 1.3366311430274758
Energy: 1.2256839822091952
Energy: 1.2258013488460269
Energy: 1.2256713221497488
Energy: 1.2257946429824933
Energy: 1.1474484983413893
Energy: 1.2705895140216257
Energy: 1.2271524287870255
Energy: 1.2268083437185475
Energy: 1.1728387992464329
Energy: 1.2269667102705375
Energy: 1.227895864459262

minimum gb energy = 1.0442584978572167 eV
minimum distance =  2.28705456030964 Angstroms
sigma value = 9


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

Energy: 2.391382980474113
Energy: 1.2531293899602263
Energy: 1.190636189934056
Energy: 1.1098004148607403
Energy: 1.0667894866084708
Energy: 1.4038323598039462
Energy: 1.467199963675162
Energy: 1.068024990088285
Energy: 1.067243690461912
Energy: 1.1127430946816683
Energy: 1.0680296392046205
Energy: 1.0383896378960247
Energy: 1.1304422101244784
Energy: 1.0706692552587294
Energy: 1.0707050144989623
Energy: 1.0585078678461084
Energy: 1.0774094999800665
Energy: 1.0794925144879197
Energy: 1.1309198318462363
Energy: 1.1269049404209373
Energy: 1.0001831539288353
Energy: 1.0563084185802392
Energy: 1.1653611294252653
Energy: 1.1187197190480007
Energy: 1.4780350475107564
Energy: 1.0342658374599518
Energy: 1.0401079589301012
Energy: 1.1055724241421832
Energy: 1.0338918168468645
Energy: 1.092288980355941
Energy: 1.1055437776170844
Energy: 1.009568547588537
Energy: 1.04070263887624
Energy: 1.105759177594653
Energy: 1.0130148773326824
Energy: 1.099816886835722
Energy: 1.0959330414912556
Energy: 1.0242231904998742
Energy: 1.1311737600795433
Energy: 1.0970366227159867
Energy: 1.036289830865357
Energy: 1.0977146335511183
Energy: 1.1174688478998431
Energy: 1.0579304046472378
Energy: 1.0935466761126797
Energy: 1.1176656452297824
Energy: 1.0562146412857343
Energy: 1.1141854658246493
Energy: 1.5183900963683332
Energy: 1.0630403631137946
Energy: 1.069945306500036
Energy: 1.0828146480069591
Energy: 1.0676558860139755
Energy: 1.1761195395354935
Energy: 1.0139218749907823
Energy: 1.1146534264782797
Energy: 1.0680989461268684
Energy: 1.0131344887199887
Energy: 1.1463483371520309
Energy: 1.1187891743519391
Energy: 1.0138741390379804
Energy: 1.100924590510618
Energy: 1.1013812753414973
Energy: 1.0113682540011033
Energy: 1.1004240371932428
Energy: 1.0934747863810683
Energy: 1.5080249483541672
Energy: 1.096681690555075
Energy: 1.0970296688652075
Energy: 1.0250047659335992
Energy: 1.0962444439849302
Energy: 1.115713291737682
Energy: 1.097781873909924
Energy: 1.5948119477831628
Energy: 1.1462423183267885
Energy: 1.0616395103477028
Energy: 1.595878287379299
Energy: 1.2456824225322567
Energy: 1.5074676905007316
Energy: 1.1076637063559285
Energy: 1.1631289813775898
Energy: 1.0253909130576608
Energy: 1.1101650185340768
Energy: 1.0898136789919355
Energy: 1.070084225039457
Energy: 1.118288004848004
Energy: 1.1210522507053386
Energy: 1.0700521571012946
Energy: 1.1188568239310956
Energy: 1.1318304329527813
Energy: 1.0739805444234758
Energy: 1.0229142576348842
Energy: 1.0523117995888909
Energy: 1.0698487013689204
Energy: 1.059129701798902
Energy: 1.0685999059539728
Energy: 1.0674088977598841
Energy: 1.0222022389159158
Energy: 1.0229387980062712
Energy: 1.0674210590040107
Energy: 1.0224767551035634
Energy: 1.04969510192758
Energy: 1.2489213021944563
Energy: 1.0452839758462051
Energy: 1.1119999584747535
Energy: 1.0692047219620526
Energy: 1.096222524169301
Energy: 1.106024178309675
Energy: 1.1335837669603201
Energy: 1.0633468879464563
Energy: 1.0553470904907924
Energy: 1.0679183410583757
Energy: 1.0711613256682042
Energy: 1.0546615922854226
Energy: 1.1290945789726157
Energy: 1.0622282685401412
Energy: 1.0363792558792062
Energy: 1.0588294838055667
Energy: 1.0593089747343438
Energy: 0.9940191611184267
Energy: 1.129606083464048
Energy: 1.0745892292750805
Energy: 1.0747524059563947
Energy: 1.05989867524778
Energy: 1.0752814824510457
Energy: 1.0593674332193623
Energy: 1.4197953828341197
Energy: 1.1336704377719014
Energy: 1.1068965571283402
Energy: 1.0364310150896594
Energy: 1.0674323224903606
Energy: 1.1099103522396403
Energy: 1.182947155914727
Energy: 1.0676002853139253
Energy: 1.0680916772791296
Energy: 1.038726368858666
Energy: 1.0673854680553048
Energy: 1.0026446189512868
Energy: 1.1319415703376254
Energy: 1.0687728064364368
Energy: 1.0707664593582402
Energy: 1.0586517016776007
Energy: 1.0687416427751617
Energy: 1.0773074511061582
Energy: 1.5208374477381958
Energy: 1.095105756129751
Energy: 1.0716772118556308
Energy: 1.0721793105566197
Energy: 1.2374503783720718
Energy: 1.141402213647437
Energy: 1.3729666979102029
Energy: 1.0243182920904426
Energy: 1.0233862403882565
Energy: 1.0589493981668687
Energy: 1.0244467375844621
Energy: 1.107943203216137
Energy: 1.0667879436716536
Energy: 1.00916672037866
Energy: 1.0977516611318014
Energy: 1.0675826406572617
Energy: 1.0092013289172674
Energy: 1.245625088099869
Energy: 1.107373745447433
Energy: 1.024717242300019
Energy: 1.0241298232754061
Energy: 1.0955782718177323
Energy: 1.0245711383564915
Energy: 1.0965105542885425
Energy: 1.1135858435330692
Energy: 1.0239349578303307
Energy: 1.0959483380373862
Energy: 1.1136843615848562
Energy: 1.0248908978817701
Energy: 1.1119324084559081
Energy: 1.462098737524951
Energy: 1.058665143958477
Energy: 1.0289388142786464
Energy: 1.463302865476994
Energy: 1.0562308856568328
Energy: 1.123127453872888
Energy: 1.014059867159885
Energy: 1.113598255178368
Energy: 1.1581664753853524
Energy: 1.009597929982804
Energy: 1.077908830393324
Energy: 1.1238234640253555
Energy: 1.7654532089012969
Energy: 1.1094544732484586
Energy: 1.1158826565320974
Energy: 1.0131596843766442
Energy: 1.1141247213759868
Energy: 1.083131260368172
Energy: 1.5051317998089793
Energy: 1.0963774837846232
Energy: 1.0961392600986795
Energy: 1.0369562551236824
Energy: 1.0983457893282882
Energy: 1.1323296241982814
Energy: 1.224788441113002
Energy: 1.1060949949447176
Energy: 1.1015541080222406
Energy: 1.0952794736493936
Energy: 1.1061062066259812
Energy: 1.0948999986058987
Energy: 1.100611300202322
Energy: 1.1062724039479952
Energy: 1.1534526118952635
Energy: 1.026996987687899
Energy: 1.0975957717937221
Energy: 1.0256807223639781
Energy: 1.2272732051965296
Energy: 1.0942868351765846
Energy: 1.1166624605031228
Energy: 1.2061032449090308
Energy: 1.096118560278951
Energy: 1.1171554291200823
Energy: 1.0730903452396503
Energy: 1.0582950620932152
Energy: 1.048463084490042
Energy: 1.0747923645742716
Energy: 1.0584325978090987
Energy: 1.0682044301656328
Energy: 1.0675294722900872
Energy: 1.0639790166321916
Energy: 1.0506028564214616
Energy: 1.0675180714586259
Energy: 1.054276224287119
Energy: 1.0686732021890406
Energy: 1.2329107078937098
Energy: 1.1630751773163315
Energy: 1.2351050076479586
Energy: 1.2803236116948271
Energy: 1.1603135540813792
Energy: 1.2414964319190867
Energy: 1.129549849316508
Energy: 1.0559170724481293
Energy: 1.0201118209587532
Energy: 1.0669983573552155
Energy: 1.054264853445807
Energy: 1.0496351537663016
Energy: 1.1298566800767156
Energy: 1.026813647578694
Energy: 1.0288582119127339
Energy: 1.067946115043153
Energy: 1.0598359364028742
Energy: 1.06078729338978
Energy: 1.1318520512101171
Energy: 1.0616841833731792
Energy: 1.060151397903388
Energy: 1.0678456549700386
Energy: 1.0609634565120465
Energy: 1.0589209031005962
Energy: 1.4220092780910156
Energy: 1.067945608759368
Energy: 1.0681807111539432
Energy: 1.0340069157212033
Energy: 1.0676085569709586
Energy: 1.0036191907933474

minimum gb energy = 0.9940191611184267 eV
minimum distance =  2.31136420697846 Angstroms
sigma value = 57


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

Energy: 0.5416098033622592
Energy: 1.069193521099193
Energy: 0.6661375137278212
Energy: 0.5457207657546584
Energy: 1.7424389755157146
Energy: 0.5423502792540095
Energy: 0.5424193921126227
Energy: 0.5610682252350611
Energy: 0.5621074835823101
Energy: 0.5963738884221262
Energy: 0.5609087342336179
Energy: 0.5918074264320277
Energy: 0.6594605884935342
Energy: 0.5983614333606081
Energy: 0.5984693681953911
Energy: 0.5974199820988868
Energy: 0.598121018120291
Energy: 0.6158988876390222
Energy: 0.6594148150704398
Energy: 0.5984145565792802
Energy: 0.5981989611976675
Energy: 0.5973222324564919
Energy: 0.6600541014056993
Energy: 0.6167245556043056
Energy: 0.6565450374883067
Energy: 0.5441850665650609
Energy: 0.5858502588064828
Energy: 0.5972478689562831
Energy: 0.5424646940022699
Energy: 0.5618197997271271
Energy: 0.5979743527337839
Energy: 0.5426937766115685
Energy: 0.5433386818924856
Energy: 0.5612379562560919
Energy: 0.542187665170495
Energy: 0.5852985451382237
Energy: 0.594082774535638
Energy: 0.5612900096035953
Energy: 0.5623276861409201
Energy: 0.5953270759260315
Energy: 0.5614557372383969
Energy: 0.6052353311692314
Energy: 0.5980595769030677
Energy: 0.5976681845408948
Energy: 0.6650670693001357
Energy: 0.5980688005765433
Energy: 0.6577637717717791
Energy: 0.5981762848494581
Energy: 0.6561333446556255
Energy: 0.6271701050755925
Energy: 0.5627864700046146
Energy: 0.5978471692089973
Energy: 0.5973645756647945
Energy: 0.598714000023274
Energy: 0.5421283865098344
Energy: 0.6569708668052623
Energy: 0.5884860218678872
Energy: 0.5422192718630312
Energy: 0.5985532691322668
Energy: 0.5451109346210828
Energy: 0.5422179502931017
Energy: 0.5611773200360783
Energy: 0.5620019189472819
Energy: 0.5422842595166272
Energy: 0.5606930092418413
Energy: 0.588159456742916
Energy: 0.6593289934263624
Energy: 0.5976497485381875
Energy: 0.6175785833422606
Energy: 0.5969710041561742
Energy: 0.5973231817828475
Energy: 0.5625729657683705
Energy: 0.6585854049494466
Energy: 0.6592462603396165
Energy: 0.6658362216962675
Energy: 0.664867228749602
Energy: 0.6592390144746524
Energy: 0.6654527149666721
Energy: 0.6576058196856408
Energy: 0.5975161521567498
Energy: 0.5987368568255329
Energy: 0.5973616857271136
Energy: 0.5983324413886595
Energy: 0.562116320992554
Energy: 0.5608262489119229
Energy: 0.5425499790438999
Energy: 0.5424955466612398
Energy: 0.5608875445436524
Energy: 0.5423638764400057
Energy: 0.5448845206976621
Energy: 0.5975318960798318
Energy: 0.6253950096525436
Energy: 0.5920406072364384
Energy: 0.5971866723076364
Energy: 0.5428642825043014
Energy: 0.5624141886445325
Energy: 0.5979588640583893
Energy: 0.6178920322102082
Energy: 0.5649765170951625
Energy: 0.5978816023839745
Energy: 0.5977581404767316
Energy: 0.5987943877074
Energy: 0.6590786101539484
Energy: 0.6286380309395735
Energy: 0.5993160281249642
Energy: 0.659031151473377
Energy: 0.5987045651420896
Energy: 0.5983893880917961
Energy: 0.5422328529733385
Energy: 0.5612966188749661
Energy: 0.5628100070050841
Energy: 0.5423096906808901
Energy: 0.6566355540728491
Energy: 0.5632072338730866

minimum gb energy = 0.5416098033622592 eV
minimum distance =  2.37123113571497 Angstroms
sigma value = 11


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

Energy: 1.8604115458553196
Energy: 1.5482100238878291
Energy: 1.1946755528716324
Energy: 1.4167674151786123
Energy: 2.1381598426281507
Energy: 1.4647472026282127
Energy: 1.1195890820067451
Energy: 0.9444682503733633
Energy: 0.9118227903042154
Energy: 0.9618405467848593
Energy: 0.8792685656406884
Energy: 0.9459115438520789
Energy: 0.8809776503740723
Energy: 0.9063717574827813
Energy: 0.9069581189903783
Energy: 0.8823498265795694
Energy: 0.913844711832317
Energy: 0.9075053588622795
Energy: 0.8802970677858898
Energy: 0.9496324835242443
Energy: 0.9400597682632164
Energy: 0.881806554859856
Energy: 0.8816008552619697
Energy: 0.9054677675394727
Energy: 0.8775293182738133
Energy: 1.0360952559975785
Energy: 1.0215248017428706
Energy: 0.8772521054935147
Energy: 1.0905232330060806
Energy: 0.9506880850186151
Energy: 1.1843895934447743
Energy: 1.0492536758695394
Energy: 1.048410108578099
Energy: 1.0276777953609348
Energy: 1.058288059592381
Energy: 1.1092585579647805
Energy: 0.9396607324475346
Energy: 0.961428732132113
Energy: 0.9477300692821333
Energy: 0.8791412856490959
Energy: 0.9677494302568718
Energy: 0.9467347606299069
Energy: 0.9010333441566135
Energy: 0.9631154211909169
Energy: 0.9618358173421374
Energy: 0.9676878842548645
Energy: 0.9615330580640618
Energy: 0.9576214692624662
Energy: 1.1849892079324436
Energy: 0.9591868045819021
Energy: 0.9479295924510962
Energy: 0.9851736859998218
Energy: 0.9655231463851243
Energy: 0.992165868675582
Energy: 1.6606656745821256
Energy: 1.1105956566697794
Energy: 1.110143688712865
Energy: 0.9706024313274859
Energy: 1.1108754742082951
Energy: 1.0522226075727064
Energy: 1.591580593214962
Energy: 0.9663263478736454
Energy: 1.0092490200125037
Energy: 1.090365266812376
Energy: 0.96742267941925
Energy: 1.0194923301518801
Energy: 1.2759749221666135
Energy: 0.8566802827156245
Energy: 0.9952527604242326
Energy: 1.2302016780786214
Energy: 0.8543977294397735
Energy: 0.9994707101676802
Energy: 1.1097654710702112
Energy: 0.8519424574909621
Energy: 0.9815028941198284
Energy: 1.108873737465369
Energy: 0.8556841833499411
Energy: 1.0390910474532724
Energy: 1.0913475655364413
Energy: 1.0340759575719178
Energy: 1.0259873147401033
Energy: 1.0928176652590373
Energy: 1.0266794841007747
Energy: 1.026674906396909
Energy: 1.0888679239001688
Energy: 1.1011065440025678
Energy: 1.2114002756552242
Energy: 1.0886547808681553
Energy: 1.2056902934127378
Energy: 1.1126470292235917
Energy: 1.500661555694041
Energy: 1.0250609276297897
Energy: 1.0290295230744941
Energy: 1.0922064060933498
Energy: 1.099273413658241
Energy: 1.0291567372858907
Energy: 1.3317085557406299
Energy: 1.30393326344249
Energy: 1.0782983523868144
Energy: 1.0480576803458894
Energy: 1.551743264632836
Energy: 1.006746172648112
Energy: 1.6028736602147122
Energy: 1.0760395356112618
Energy: 1.0337382058357598
Energy: 1.0784370620813932
Energy: 1.0900173280131864
Energy: 1.0302584550399598
Energy: 1.5277321805171649
Energy: 1.0479334390329051
Energy: 1.055154531434279
Energy: 0.9656677800689907
Energy: 1.1031323386347491
Energy: 1.0234331674861272
Energy: 1.1403230769957726
Energy: 1.1328156268488687
Energy: 1.0229113901188465
Energy: 0.8815501183916822
Energy: 1.3115697797047225
Energy: 1.0288394771850304
Energy: 1.5013670112930086
Energy: 1.0240921137797179
Energy: 1.023276851156064
Energy: 0.967772321720238
Energy: 1.0824577657341903
Energy: 1.0191270674812811
Energy: 1.3830616290055426
Energy: 1.0515230796749804
Energy: 1.2779334894651033
Energy: 0.9687525982518005
Energy: 1.1978814304678354
Energy: 1.2684303377370387
Energy: 0.9676435257410203
Energy: 1.023254425610593
Energy: 1.0234019107941568
Energy: 0.9663977171306162
Energy: 1.0521982532381948
Energy: 1.0170864058647953
Energy: 0.957592304985562
Energy: 0.9092705200579436
Energy: 0.9059993396249966
Energy: 0.9588449466052553
Energy: 0.9086201096880994
Energy: 0.9536880071122292
Energy: 0.9677250681772697
Energy: 0.9089802217145188
Energy: 0.9573306056965012
Energy: 0.9663639488482274
Energy: 0.8810441013643743
Energy: 0.9058277553444094
Energy: 1.462991746534421
Energy: 0.9337629858677339
Energy: 0.9960579590205603
Energy: 1.1035053420680145
Energy: 0.8776783703311167
Energy: 0.9980141542189082

minimum gb energy = 0.8519424574909621 eV
minimum distance =  2.25967820168676 Angstroms
sigma value = 41


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

Energy: 1.7575694912372608
Energy: 0.975831747466088
Energy: 0.9759394510676838
Energy: 1.245108743010325
Energy: 0.9511860211655878
Energy: 1.245115196399209
Energy: 1.3145428088078364
Energy: 0.9954381647486786
Energy: 1.0452146098193762
Energy: 1.048388996065177
Energy: 0.9508084943415441
Energy: 1.0463341195655098
Energy: 0.9524950373605586
Energy: 0.9913522335836624
Energy: 0.9915230588640169
Energy: 0.9518222997111607
Energy: 0.9913859056371914
Energy: 0.9933700150724057
Energy: 0.9519253164688776
Energy: 0.9839209580494069
Energy: 0.9836993413214962
Energy: 0.9520340802182199
Energy: 0.9573483150458885
Energy: 0.9586436213119556
Energy: 0.9506389930431479
Energy: 1.1442220479832448
Energy: 1.1422151351845782
Energy: 0.9506581246806054
Energy: 1.0806752774094026
Energy: 1.0458763982228905
Energy: 1.5541086838577582
Energy: 1.0465431717078522
Energy: 1.0746796492020683
Energy: 1.147363217378066
Energy: 1.044678176137762
Energy: 1.073142568715217
Energy: 1.3612913303062304
Energy: 1.0456736794014245
Energy: 1.04535531572158
Energy: 0.9511730173224455
Energy: 1.0927242790408216
Energy: 1.0450835108653977
Energy: 1.2086405121025117
Energy: 1.072181893466333
Energy: 1.0716338463410624
Energy: 1.0516488362522545
Energy: 1.0721208619912725
Energy: 0.9396051605470102
Energy: 1.3616318308725197
Energy: 1.044835721496935
Energy: 1.0444398682107656
Energy: 1.0632456552494352
Energy: 1.0473403203294598
Energy: 1.0921052619890128
Energy: 1.3780320423892076
Energy: 1.0732229077217443
Energy: 1.0727711653266725
Energy: 0.9915704100779111
Energy: 1.0734702946925796
Energy: 1.1983158747606348
Energy: 1.379088955502925
Energy: 1.0726633155740328
Energy: 1.1437739643832665
Energy: 0.9528570328629602
Energy: 1.072979588418746
Energy: 1.1433766385737316
Energy: 1.68916043504449
Energy: 0.9122126189504992
Energy: 1.0199701811628268
Energy: 1.2883131865386603
Energy: 0.9123821844856849
Energy: 1.1427695764379755
Energy: 1.0726460425379882
Energy: 0.9483528498150379
Energy: 1.0785596075618353
Energy: 1.0726415917075274
Energy: 0.9132454132100896
Energy: 1.2207260722217936
Energy: 1.0468062932077673
Energy: 1.0948459232763939
Energy: 1.0956845381027294
Energy: 1.0456780106431678
Energy: 1.0756690076096835
Energy: 1.0992111498025416
Energy: 1.089639286244558
Energy: 1.1779887303031757
Energy: 1.178244641112513
Energy: 1.0904240197784867
Energy: 1.1463681112839779
Energy: 1.0897303368695028
Energy: 1.2744235664831274
Energy: 0.9881923494728397
Energy: 1.0448399433258153
Energy: 1.0748138675965262
Energy: 0.9513429596870543
Energy: 1.0459784837798995
Energy: 1.7188635538873749
Energy: 0.9776532637528939
Energy: 0.9140853192191029
Energy: 1.2216402083717923
Energy: 0.9541568437804716
Energy: 1.2209968779954323
Energy: 1.6206209460683136
Energy: 0.9958832949577229
Energy: 1.0467005237133593
Energy: 1.1769345874313726
Energy: 0.9506432503310295
Energy: 1.1335188221647656
Energy: 0.9519438495070213
Energy: 0.9921067335769449
Energy: 0.9581599349568157
Energy: 0.951920894023701
Energy: 0.9916455744384339
Energy: 0.9876600772093492
Energy: 0.9514327467471386
Energy: 0.9587914040069302
Energy: 0.9929785190122635
Energy: 0.9911491729385665
Energy: 0.9915493095492185
Energy: 0.9911457748599494
Energy: 0.9507455223692775
Energy: 1.046309662971125
Energy: 1.046196036503226
Energy: 0.9505857058218615
Energy: 1.0476186539729055
Energy: 1.0452723371352284
Energy: 1.5118968999292222
Energy: 1.0769913143841507
Energy: 1.1381835225607912
Energy: 1.5122225507290183
Energy: 1.0761092903342404
Energy: 1.1166248826991514
Energy: 1.3618001789410856
Energy: 1.045228503393312
Energy: 1.0449774689865805
Energy: 0.9515263411508318
Energy: 1.0468820061966386
Energy: 1.045594861598746
Energy: 0.9886402423271688
Energy: 1.0912823830645753
Energy: 1.1308644478257819
Energy: 1.0516214311788883
Energy: 1.0902016029309023
Energy: 1.0516224705930588
Energy: 1.3616688121701674
Energy: 1.046235015244674
Energy: 1.0453048093872268
Energy: 0.9869719988211775
Energy: 1.0666510010643766
Energy: 1.0451000889778328
Energy: 1.378840911030463
Energy: 1.073001435242703
Energy: 1.144386185794617
Energy: 0.9528804426332084
Energy: 1.072905133079353
Energy: 1.1432599710092775
Energy: 1.3779368551368527
Energy: 1.073143104507837
Energy: 1.0727458395467195
Energy: 0.9536266176087904
Energy: 1.072769320985663
Energy: 1.092244923715447
Energy: 1.6940447450829856
Energy: 1.0779043153554178
Energy: 1.145637123532288
Energy: 1.0703764237028444
Energy: 0.949244766604961
Energy: 1.144733876130426
Energy: 1.0731522708250563
Energy: 1.2212538551217094
Energy: 1.220727867520449
Energy: 1.0727511490562702
Energy: 1.0182485712842675
Energy: 1.2845600276248945
Energy: 1.0452541750645674
Energy: 1.1479678642548323
Energy: 1.1434589481022142
Energy: 1.0456451176845418
Energy: 1.1443885238834608
Energy: 1.1440583599270782
Energy: 1.0710652656738495
Energy: 1.14972480981305
Energy: 1.0720617346917767
Energy: 1.0712429943970572
Energy: 0.9914949227828465
Energy: 1.0730807715224073
Energy: 1.2713407730879696
Energy: 1.0381053278875068
Energy: 0.9956820256509543
Energy: 1.1060882796420706
Energy: 0.9518645648753361
Energy: 1.0451702829724117
Energy: 1.7637421637232098
Energy: 0.9776710780367261
Energy: 1.0262382249622424
Energy: 0.9142330495646138
Energy: 0.9502276293838563
Energy: 1.1343747282410754

minimum gb energy = 0.9122126189504992 eV
minimum distance =  2.27952774196593 Angstroms
sigma value = 33


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

Energy: 1.3715076737703358
Energy: 1.021770585491496
Energy: 1.0220726885551867
Energy: 1.3742118411741295
Energy: 1.0281769954289222
Energy: 1.0217301824131322
Energy: 1.0812414162189
Energy: 1.127647710228174
Energy: 1.1246492784547275
Energy: 1.119835898312023
Energy: 1.0303980595088627
Energy: 1.1258017022276297
Energy: 1.032856221187042
Energy: 1.0581483961672138
Energy: 1.0587365772878072
Energy: 1.0586884067665516
Energy: 1.058958077905912
Energy: 1.0586117910003023
Energy: 1.0335469049931596
Energy: 1.0963187462589983
Energy: 1.0133147337005057
Energy: 1.0338158044248988
Energy: 1.0084682334550166
Energy: 1.013721980342512
Energy: 1.0281268517715014
Energy: 1.0148556583587471
Energy: 1.1243981117660882
Energy: 1.0281367384381457
Energy: 1.0832020849163715
Energy: 1.1246639381852306
Energy: 1.4851693983080039
Energy: 1.0158946162234335
Energy: 1.015788850727025
Energy: 1.0279530449909464
Energy: 1.0158212530349737
Energy: 1.0162463523874274
Energy: 1.0825209662831654
Energy: 1.1250813594416007
Energy: 1.128432716754387
Energy: 1.0343567569793197
Energy: 1.158721354225923
Energy: 1.1285602958028016
Energy: 1.37161742919924
Energy: 0.9787362642248914
Energy: 1.0145864058328393
Energy: 1.111780482765452
Energy: 0.978668605615547
Energy: 1.0174937616941446
Energy: 1.083441599907118
Energy: 1.1218213055898862
Energy: 1.1251497907416201
Energy: 1.1909146772766914
Energy: 0.9771845802802803
Energy: 1.127087079262076
Energy: 1.5159216034214147
Energy: 0.981695134996469
Energy: 0.9792600679499133
Energy: 1.0597931054660497
Energy: 0.9814076750716679
Energy: 0.9780363359637764
Energy: 1.1649214785239632
Energy: 0.9789539212546368
Energy: 1.130297709857609
Energy: 1.0318568981613887
Energy: 1.0142685743201132
Energy: 1.1298500390057744
Energy: 1.4833720764476817
Energy: 0.9773852338077562
Energy: 1.265995632481322
Energy: 1.0297937446096814
Energy: 0.9804384216175991
Energy: 1.2558900102745416
Energy: 1.0294106173089488
Energy: 0.9773360752166675
Energy: 1.1839345083855108
Energy: 1.0295959576550122
Energy: 0.976371196872288
Energy: 0.9788369328268457
Energy: 1.0339193554669217
Energy: 1.0603661766652226
Energy: 1.0098865337330059
Energy: 1.0353381006631552
Energy: 1.0087928212770374
Energy: 1.0093391609448856
Energy: 0.9786912838042615
Energy: 1.0586758804177907
Energy: 1.0082137050315334
Energy: 1.060493305094971
Energy: 1.0578647766446574
Energy: 1.0081742214832763
Energy: 1.0304122729545366
Energy: 1.0648559378032394
Energy: 1.0606798281646312
Energy: 1.095975318081861
Energy: 1.0334491166069657
Energy: 1.059640460101278
Energy: 1.5140089675255948
Energy: 1.0639295691666961
Energy: 0.9793904513225956
Energy: 1.0491003678973505
Energy: 1.0655250138902244
Energy: 0.9782283385071515
Energy: 1.514657028647457
Energy: 1.1768255760393895
Energy: 1.1243690169187754
Energy: 1.0365349422078218
Energy: 1.029934413056194
Energy: 1.1252879606273678
Energy: 1.4327958141249966
Energy: 1.0483345438329703
Energy: 0.9774754830881551
Energy: 0.9784303029428856
Energy: 1.1163337833612785
Energy: 1.1892364368856536
Energy: 0.9789843982886313
Energy: 0.9777261122455189
Energy: 0.9785344376711321
Energy: 0.9787413857202485
Energy: 1.1121257225352872
Energy: 1.123824854344231
Energy: 0.9761249906627052
Energy: 1.192871252537803
Energy: 1.1893078053507393
Energy: 0.9766086839186761
Energy: 1.1235897285838365
Energy: 1.1874185611005412
Energy: 1.0175648024965545
Energy: 1.0146948320541067
Energy: 1.0152766220961829
Energy: 1.0179135978002176
Energy: 1.0146283597255155
Energy: 1.2355662612848177
Energy: 1.0294925863807514
Energy: 1.1250147583024814
Energy: 1.1290075853989636
Energy: 0.9764099230528808
Energy: 1.1728484209559502
Energy: 1.1278427129458994
Energy: 1.3713571349378328
Energy: 1.065605885723726
Energy: 0.9760814552579403
Energy: 0.9758279829467827
Energy: 1.0661869619023217
Energy: 0.9765599859566084
Energy: 1.1664172283642156
Energy: 1.1248453809285062
Energy: 1.1248711362409862
Energy: 1.1221857727146471
Energy: 1.0296823263477508
Energy: 1.1254677113822196
Energy: 1.0330833648329416
Energy: 1.0101399880117417
Energy: 1.009458941080186
Energy: 1.0332718716345042
Energy: 1.0592913906184676
Energy: 1.0492885790481263
Energy: 1.0332432736373973
Energy: 1.014028950129674
Energy: 1.0495134728443791
Energy: 1.0322796986386862
Energy: 1.0087496218750809
Energy: 1.0581601752336065
Energy: 1.0297665777258502
Energy: 1.1219587516218255
Energy: 1.1239034404665296
Energy: 1.0299382701072626
Energy: 1.0134975662223402
Energy: 1.1266295771778725
Energy: 1.526930187315774
Energy: 1.0161380497626606
Energy: 1.0159733915103284
Energy: 1.0664636272576153
Energy: 1.0152612627731732
Energy: 1.0150596334103839
Energy: 1.0826069493423207
Energy: 1.122606634666104
Energy: 1.1264361758124148
Energy: 1.1743996192782766
Energy: 1.1206754668740126
Energy: 1.1276185929117393
Energy: 1.3715256157086486
Energy: 1.0157804092434257
Energy: 1.04323125955959
Energy: 1.1119673252738713
Energy: 1.0154297261492786
Energy: 1.0142198820386557
Energy: 1.0851391442401415
Energy: 1.124326603882175
Energy: 1.1268496633999339
Energy: 1.1755896411735933
Energy: 0.9772315019922944
Energy: 1.128545156380784
Energy: 1.5142599007410655
Energy: 0.9791927062513446
Energy: 0.9779524764089482
Energy: 1.0317272871200405
Energy: 0.9814348814907136
Energy: 1.1242486517440173
Energy: 1.5137927158489433
Energy: 1.0140485213156631
Energy: 1.1287876481736703
Energy: 1.0313163350827532
Energy: 0.9795308475858586
Energy: 1.1246658987739067
Energy: 1.4834786453016038
Energy: 1.1234725299544492
Energy: 1.261850420353047
Energy: 1.0290897165518926
Energy: 0.9815178289105574
Energy: 1.1254492284986084
Energy: 1.0279981890193495
Energy: 0.9745223836229956
Energy: 0.9773267215139553
Energy: 1.0295004253593334
Energy: 0.9786537022040476
Energy: 0.9765311886893668
Energy: 1.0312988487805945
Energy: 1.0580802953195336
Energy: 1.0586353126554982
Energy: 1.0328482951110116
Energy: 1.060299879375971
Energy: 1.0084326864535653
Energy: 1.0108206344455335
Energy: 1.058583079805247
Energy: 1.007893058657232
Energy: 1.0105863769218573
Energy: 1.0573650560347003
Energy: 1.0087031035280178
Energy: 1.031598682609055
Energy: 1.032724620317205
Energy: 1.0603293457407261
Energy: 1.0452780890249849
Energy: 1.0359642189612845
Energy: 1.0607181966675616
Energy: 1.5430125781241284
Energy: 1.0282293706750139
Energy: 1.027923174812172
Energy: 1.0742602386141082
Energy: 1.0277611001833926
Energy: 0.9800687562724565
Energy: 1.51458665764746
Energy: 1.1789624522636843
Energy: 1.124511333047867
Energy: 1.0380994445015803
Energy: 1.0284548857225053
Energy: 1.123524577589979
Energy: 1.4323709986461333
Energy: 1.048212296137099
Energy: 0.9767047582597117
Energy: 0.9774757701429068
Energy: 1.0808362118261796
Energy: 1.1272331184944162
Energy: 0.9774087092638579
Energy: 1.048961195476625
Energy: 0.9789557956593619
Energy: 0.9775340685918892
Energy: 1.1107417196536609
Energy: 0.9791901343622781
Energy: 0.9769826568792143
Energy: 1.1908529534627392
Energy: 1.1881344268838754
Energy: 0.9769851438372126
Energy: 1.1902888896933361
Energy: 1.1853757506872205
Energy: 1.0155471178617683
Energy: 1.0139683963611867
Energy: 0.9791823274115925
Energy: 1.015491128779811
Energy: 1.0145042211551196
Energy: 1.015465744478926
Energy: 1.0302778100844048
Energy: 1.128003761004009
Energy: 1.131475905248554
Energy: 1.0119242981902277
Energy: 1.1747287934355533
Energy: 1.1290743518951827
Energy: 1.945878935702229
Energy: 1.0167939139568283
Energy: 0.9783453674077731
Energy: 0.9779178926729973
Energy: 1.3489020898225774
Energy: 0.9794515510636318

minimum gb energy = 0.9745223836229956 eV
minimum distance =  2.34918187813755 Angstroms
sigma value = 67


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

Energy: 1.6209264394845218
Energy: 1.0193534989169297
Energy: 1.0145016424864837
Energy: 1.014453675148801
Energy: 1.080384140442469
Energy: 1.0143673562317228
Energy: 1.1603800031697387
Energy: 1.0330669057865716
Energy: 1.0338416221710471
Energy: 1.0331822308614182
Energy: 1.0332545388356402
Energy: 1.0331558819114042
Energy: 1.0915035324731965
Energy: 0.9842679526547867
Energy: 1.02799023771936
Energy: 1.0278837545879456
Energy: 0.9841387140971436
Energy: 1.0280657914622022
Energy: 1.0836919497926698
Energy: 1.0373283497814947
Energy: 1.0365781945075205
Energy: 1.0839703303064583
Energy: 1.0328438726660847
Energy: 1.0362451556358703
Energy: 1.073566570339369
Energy: 1.044263879775567
Energy: 1.045811548035428
Energy: 1.0739927784369838
Energy: 1.0397349755732586
Energy: 1.0450333910703355
Energy: 1.074767732541404
Energy: 1.0248168677063927
Energy: 1.0428649160290973
Energy: 1.074694612712914
Energy: 1.0247152554578371
Energy: 1.0756691718226798
Energy: 1.1620846566516865
Energy: 1.0321560131267489
Energy: 1.030746515076661
Energy: 1.1315862790222133
Energy: 1.0390620830839397
Energy: 1.0307784567833902

minimum gb energy = 0.9841387140971436 eV
minimum distance =  2.35511209426031 Angstroms
sigma value = 3


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

Energy: 2.098498302692785
Energy: 1.3103759128105834
Energy: 1.1542440953045574
Energy: 1.1331966429425617
Energy: 1.2979197779190659
Energy: 1.218857063781506
Energy: 1.1258898779547535
Energy: 1.1252655065501778
Energy: 1.1259873146164519
Energy: 1.076986150419709
Energy: 1.2699062027321646
Energy: 1.081397148227955
Energy: 1.164836244926314
Energy: 1.1087103796380975
Energy: 1.110013543351238
Energy: 1.0783660923510445
Energy: 1.1072874801415296
Energy: 1.1064566378961551
Energy: 1.1572126037319246
Energy: 1.0766926070176162
Energy: 1.1374640070241462
Energy: 1.1459304243308734
Energy: 1.1067312509991614
Energy: 1.0756366650267528
Energy: 1.1523001599133889
Energy: 1.1481790327662318
Energy: 1.1426241641219008
Energy: 1.147129026412066
Energy: 1.1899535987796555
Energy: 1.1460347198881407
Energy: 1.1462209116741515
Energy: 1.179967908708999
Energy: 1.1764878506220748
Energy: 1.140666282968884
Energy: 1.202456009095788
Energy: 1.1633222583703684
Energy: 1.162881595096532
Energy: 1.1713451511547268
Energy: 1.205809837646499
Energy: 1.1616618584841292
Energy: 1.2587584593637786
Energy: 1.229287118646905
Energy: 1.9485192788953385
Energy: 1.5944397450318866
Energy: 1.4337830861970826
Energy: 1.107569169653996
Energy: 1.6695376159798796
Energy: 1.2424918200817934
Energy: 1.1898374807206513
Energy: 1.14661027379153
Energy: 1.2313279297302924
Energy: 1.2427215346802851
Energy: 1.235223642734779
Energy: 1.2463442960662365
Energy: 1.4958281955536432
Energy: 1.1201851635347078
Energy: 1.120103092303661
Energy: 1.485263755892185
Energy: 1.1216422069647511
Energy: 1.209375238014452
Energy: 1.3152663609871045
Energy: 1.1663187137784221
Energy: 1.1102904155889617
Energy: 1.2686058827494318
Energy: 1.2553911670646727
Energy: 1.2124249437632901
Energy: 1.312018019556353
Energy: 1.1547706477674626
Energy: 1.150912171442627
Energy: 1.3104203266820373
Energy: 1.2100426445482244
Energy: 1.1529882452504945
Energy: 1.1891269525479746
Energy: 1.153052726361074
Energy: 1.1533077057935643
Energy: 1.2383943489666267
Energy: 1.1532557897817746
Energy: 1.1532848499407582
Energy: 1.3758174097515103
Energy: 1.1472102853717314
Energy: 1.1377298353194953
Energy: 1.2232756029652425
Energy: 1.143698389983157
Energy: 1.1380801625544739
Energy: 1.2768671773902904
Energy: 1.3079897873581763
Energy: 1.2482274893563945
Energy: 1.1064190088396268
Energy: 1.1548724461212203
Energy: 1.1542561423844302
Energy: 1.5652110129852916
Energy: 1.15288358542924
Energy: 1.1828403199712594
Energy: 1.456610474915332
Energy: 1.1508005167145576
Energy: 1.176486514696808
Energy: 1.4007708169365525
Energy: 1.1509041549737784
Energy: 1.1522520136993528
Energy: 1.4009135881476174
Energy: 1.1513440191014281
Energy: 1.2918081808913706
Energy: 1.5461617058190935
Energy: 1.1814276506061452
Energy: 1.203080234785159
Energy: 1.5119047015998324
Energy: 1.1857093678727118
Energy: 1.192509929588358
Energy: 1.574834425534098
Energy: 1.14901032002257
Energy: 1.1485490853689424
Energy: 1.1339792895429337
Energy: 1.2447630080520031
Energy: 1.1173259659122114
Energy: 1.365130246655945
Energy: 1.1832496674618749
Energy: 1.1494461176359678
Energy: 1.117610887050964
Energy: 1.1758918605314075
Energy: 1.1179890764004592
Energy: 1.2113809041019348
Energy: 1.1907561755083838
Energy: 1.2034145882199105
Energy: 1.2710014282838704
Energy: 1.1892853861517247
Energy: 1.200714431599371
Energy: 1.1776314895262439
Energy: 1.1869021287881674
Energy: 1.1871018319703581
Energy: 1.2415750895657078
Energy: 1.1830060848799588
Energy: 1.182014191051986
Energy: 1.178521901059784
Energy: 1.1893169530073069
Energy: 1.1814688331358887
Energy: 1.1801251723665487
Energy: 1.2459159334065133
Energy: 1.2233212194138032
Energy: 1.2101565922231106
Energy: 1.1075011956449763
Energy: 1.1123577150657724
Energy: 1.2156845332998827
Energy: 1.1069631781791462
Energy: 1.2035527234808194
Energy: 1.1765513063503654
Energy: 1.1800154320763543
Energy: 1.1613183402141956
Energy: 1.2664533903000579
Energy: 1.2613670306887383
Energy: 1.1606164142029685
Energy: 1.653913364510624
Energy: 1.365974734656982
Energy: 1.232596288845841
Energy: 1.074864089629106
Energy: 1.5097695256915267
Energy: 1.1445642373775926
Energy: 1.6511298779690278
Energy: 1.3658611702249492
Energy: 1.234867149928698
Energy: 1.0749561080913386
Energy: 1.445705531657389
Energy: 1.2015436922022769
Energy: 1.178558495395529
Energy: 1.180252169928205
Energy: 1.1616281138903874
Energy: 1.2755076194683541
Energy: 1.3713371520237834
Energy: 1.161231928103603
Energy: 1.1637209416155336
Energy: 1.1096241221759053
Energy: 1.1145696620135863
Energy: 1.163124819645086
Energy: 1.1089952849599094
Energy: 1.1632689273807948
Energy: 1.1405105244462073
Energy: 1.1614981794659571
Energy: 1.1594752318598154
Energy: 1.1427139145741148
Energy: 1.1908413711948902
Energy: 1.1587837932182656
Energy: 1.1419051010438988
Energy: 1.1613329648455353
Energy: 1.1609191511383439
Energy: 1.1591625481238705
Energy: 1.1776016969846907
Energy: 1.1622209906372831
Energy: 1.1704870204869648
Energy: 1.2035841842798523
Energy: 1.2058899007473585
Energy: 1.2162969970491688
Energy: 1.3490835481958026
Energy: 1.1873669012882437
Energy: 1.5998422981858282
Energy: 1.297840117603462
Energy: 1.2694157432608664
Energy: 1.1082579438779825
Energy: 1.2740071582233985
Energy: 1.1515153708898722
Energy: 1.577380207618851
Energy: 1.2206389426186048
Energy: 1.2243138980030384
Energy: 1.1325050576083018
Energy: 1.2966910781799228
Energy: 1.1500958774997465
Energy: 1.2871320794788472
Energy: 1.1107686946723117
Energy: 1.1106198775005458
Energy: 1.298306303595446
Energy: 1.1780495823054389
Energy: 1.1455020051829912
Energy: 1.293443606560249
Energy: 1.1199414630487317
Energy: 1.1193267194419163
Energy: 1.2906829030436262
Energy: 1.120531288172831
Energy: 1.1994789737875438
Energy: 1.315467554657192
Energy: 1.178737567203272
Energy: 1.1798035382989138
Energy: 1.3166911729834458
Energy: 1.2240747102693015
Energy: 1.2623672085438968
Energy: 1.191174473348251
Energy: 1.1599680566225268
Energy: 1.1564999097300315
Energy: 1.1061716429767423
Energy: 1.1603024656194416
Energy: 1.1601520361221307
Energy: 1.290255991557324
Energy: 1.140568415778942
Energy: 1.1398409942689731
Energy: 1.2920330991053859
Energy: 1.1451718405092781
Energy: 1.138072931028379
Energy: 1.276671475329709
Energy: 1.1521527857570892
Energy: 1.1534471172901581
Energy: 1.1062717925910057
Energy: 1.1511690562936736
Energy: 1.1566742964965888
Energy: 1.5641287304239864
Energy: 1.1566037630654853
Energy: 1.149041482761288
Energy: 1.3874863280332062
Energy: 1.3737459287174172
Energy: 1.148783243763344
Energy: 1.568664949218795
Energy: 1.2016574485377984
Energy: 1.201083432271708
Energy: 1.5215058827415273
Energy: 1.115091743757437
Energy: 1.2280850067031517
Energy: 1.415392575524996
Energy: 1.1518518465414227
Energy: 1.1516159844117726
Energy: 1.466700599992451
Energy: 1.1760922970703431
Energy: 1.2903616780925404
Energy: 1.511527210587154
Energy: 1.1491590541041015
Energy: 1.1423706297865392
Energy: 1.2434425556237592
Energy: 1.142787184483782
Energy: 1.1417197948105677
Energy: 1.8199775875329223
Energy: 1.2034016653964243
Energy: 1.192925719475487
Energy: 1.156781194528803
Energy: 1.2107710777195009
Energy: 1.1940649795171125
Energy: 1.2045993316350871
Energy: 1.1743336077976603
Energy: 1.1840658315240526
Energy: 1.1613745358870513
Energy: 1.1746481015873902
Energy: 1.178175564175708
Energy: 1.2002054923670042
Energy: 1.198968284449827
Energy: 1.1936652191503623
Energy: 1.202964056663276
Energy: 1.193770288734026
Energy: 1.1926429706270958
Energy: 1.1870527803941613
Energy: 1.200415804734977
Energy: 1.1683481497289836
Energy: 1.1825112718525557
Energy: 1.224823058608266
Energy: 1.1741205860484476
Energy: 1.2034817012312644
Energy: 1.1075339803207545
Energy: 1.1379818761126237
Energy: 1.1798881243879737
Energy: 1.107411378605021
Energy: 1.13769197346231
Energy: 1.4372084010836041
Energy: 1.108337653889869
Energy: 1.1078961268273222
Energy: 1.3182048905576556
Energy: 1.1081074193052416
Energy: 1.1384721702612917
Energy: 1.1256227224124753
Energy: 1.1747598253868203
Energy: 1.1450855301879115
Energy: 1.1106637568560738
Energy: 1.2997347541507245
Energy: 1.1364452197102088

minimum gb energy = 1.074864089629106 eV
minimum distance =  2.28296699581698 Angstroms
sigma value = 81


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

Energy: 2.2435229835381234
Energy: 1.205891412908909
Energy: 1.064188118874124
Energy: 1.0637939506761067
Energy: 1.158016201583497
Energy: 1.1866467490140087
Energy: 1.1466264273312403
Energy: 1.0460072585138858
Energy: 1.0453402315868232
Energy: 1.049495313107798
Energy: 1.1243275340962293
Energy: 1.0460216344850803
Energy: 1.2786516364278764
Energy: 1.1768508658636665
Energy: 1.1752755578651146
Energy: 1.1483001404795425
Energy: 1.1233450427126277
Energy: 1.059627030612869
Energy: 1.250097369168969
Energy: 1.1767576084818787
Energy: 1.2855508878128945
Energy: 1.199223935734259
Energy: 1.164967724905158
Energy: 1.1480274940926538
Energy: 1.210487619118736
Energy: 1.2352854922130037
Energy: 1.2403741776707027
Energy: 1.1990460145470359
Energy: 1.2405288000295378
Energy: 1.2417296843454158
Energy: 1.2099195103736655
Energy: 1.2270070224076215
Energy: 1.2297647367534956
Energy: 1.2191028302433966
Energy: 1.2353672578429347
Energy: 1.226664535947354
Energy: 1.1850727003852441
Energy: 1.2902318699343267
Energy: 1.16615256275367
Energy: 1.1708463549910453
Energy: 1.2919374429416175
Energy: 1.2358770288527565
Energy: 1.6983954380673296
Energy: 1.6255428826364389
Energy: 1.4045548764850317
Energy: 1.0872388809030265
Energy: 1.4173146625060744
Energy: 1.0861583404252146
Energy: 1.2026569738882416
Energy: 1.2406197130283183
Energy: 1.202289296748578
Energy: 1.1564465780567017
Energy: 1.2613327639831726
Energy: 1.1145099610229243
Energy: 1.2515517315461193
Energy: 1.067834934380533
Energy: 1.0676567855748773
Energy: 1.2164741166747495
Energy: 1.0047563280863485
Energy: 1.004812051713271
Energy: 1.1872119667598582
Energy: 1.0709782251873803
Energy: 1.0694582060224296
Energy: 1.2024645763334048
Energy: 1.005126662218479
Energy: 1.1505339421497536
Energy: 1.1286732655364577
Energy: 1.2969094782939867
Energy: 1.1927061841966125
Energy: 1.1515749205038113
Energy: 1.2068967564649657
Energy: 1.2808477133815341
Energy: 1.1289088390548532
Energy: 1.2151336172062648
Energy: 1.3065774661467142
Energy: 1.1759882026751505
Energy: 1.2088145947641156
Energy: 1.1220035482265902
Energy: 1.2230038323206889
Energy: 1.2258301783670107
Energy: 1.2257044503026222
Energy: 1.230070479362591
Energy: 1.2092414261683668
Energy: 1.2331866297983636
Energy: 1.2092670413980318
Energy: 1.250154730068291
Energy: 1.2502246559455232
Energy: 1.2152179939066943
Energy: 1.2511296061294663
Energy: 1.216333930250993
Energy: 1.2103868324943499
Energy: 1.21294214862544
Energy: 1.2103691178796896
Energy: 1.2129948247186266
Energy: 1.213920043190768
Energy: 1.215441505042963
Energy: 1.4601420230021567
Energy: 1.1387779585981121
Energy: 1.1386779604489363
Energy: 1.4605330704991801
Energy: 1.0861152787309125
Energy: 1.188537419132524
Energy: 1.5388516515190584
Energy: 1.2701172206383586
Energy: 1.2232665944247336
Energy: 1.4032142224590594
Energy: 1.2207737723726184
Energy: 1.2856424019113004
Energy: 1.0073714807836718
Energy: 1.2585454605701962
Energy: 1.0048977170867606
Energy: 1.0055719039242574
Energy: 1.3299763763900385
Energy: 1.0045960329805157
Energy: 1.0066529646780649
Energy: 1.2587106458875894
Energy: 1.0044670417197121
Energy: 1.0050250718908575
Energy: 1.2953448488606514
Energy: 1.0047048189232477
Energy: 1.2162935953191043
Energy: 1.2694678228984773
Energy: 1.2697024648827777
Energy: 1.2762575382483938
Energy: 1.2209617890237774
Energy: 1.3747686012568126
Energy: 1.20770498100568
Energy: 1.1524582053082173
Energy: 1.1515040783569324
Energy: 1.2088204023491769
Energy: 1.0884353140032312
Energy: 1.217804072038543
Energy: 1.2056868780806518
Energy: 1.2931110562019554
Energy: 1.2166395030440218
Energy: 1.2068590421382333
Energy: 1.2095184823219012
Energy: 1.2165904967794128
Energy: 1.207187294621269
Energy: 1.2172147139455012
Energy: 1.2173256300375368
Energy: 1.2154358946700585
Energy: 1.214912091351078
Energy: 1.215385232043619
Energy: 1.2749370204995496
Energy: 1.2362051313485536
Energy: 1.2358371892987026
Energy: 1.2284378099909006
Energy: 1.2498507708115072
Energy: 1.2282466443141102
Energy: 1.5557968685197356
Energy: 1.3366612112184237
Energy: 1.3373731037760952
Energy: 1.241481070245491
Energy: 1.5561504723289294
Energy: 1.1766587130450414
Energy: 1.3793149101664182
Energy: 1.3197199044659955
Energy: 1.2781129835024627
Energy: 1.2555915779303506
Energy: 1.5604230080076935
Energy: 1.2188854548326633
Energy: 1.219392888825718
Energy: 1.0052766872671244
Energy: 1.1496096658157668
Energy: 1.2249968532294375
Energy: 1.108081059082017
Energy: 1.1515663484371343
Energy: 1.2080800728905137
Energy: 1.0048099505998673
Energy: 1.0048515386706076
Energy: 1.2239659431731893
Energy: 1.0676900675515413
Energy: 1.067452604912137
Energy: 1.2042525568545206
Energy: 1.241501992722427
Energy: 1.1869967348476749
Energy: 1.1741598658397954
Energy: 1.2030339771651988
Energy: 1.1133914566888545
Energy: 1.1301143179332254
Energy: 1.3917294004232519
Energy: 1.3656088748684732
Energy: 1.0856922114955367
Energy: 1.4704204817755082
Energy: 1.2163119602181771
Energy: 1.1880380463155755
Energy: 1.195641383367992
Energy: 1.2002486181293721
Energy: 1.1674760173874597
Energy: 1.2074416199624973
Energy: 1.2965814216315412
Energy: 1.2132629786945237
Energy: 1.2276768939303258
Energy: 1.2295089270708512
Energy: 1.2593634919546675
Energy: 1.2252305232820975
Energy: 1.2272096353078388
Energy: 1.2132214786772788
Energy: 1.2409114937119765
Energy: 1.2446326145106898
Energy: 1.228544004301834
Energy: 1.2422880242823164
Energy: 1.241413355554938
Energy: 1.4635735283775775
Energy: 1.082147715338494
Energy: 1.2334635252290642
Energy: 1.4499598024713025
Energy: 1.0864276125822359
Energy: 1.0816131437166392
Energy: 1.54319878227482
Energy: 1.1744415770035599
Energy: 1.175658451709638
Energy: 1.4663529339182722
Energy: 1.1738235704203863
Energy: 1.4552544458365002
Energy: 1.2998664379626341
Energy: 1.045726601477022
Energy: 1.0448505162363606
Energy: 1.0510548118170284
Energy: 1.12498920576634
Energy: 1.0451762411862637
Energy: 1.5873785320295721
Energy: 1.1070209493714405
Energy: 1.064105997381566
Energy: 1.0052881375736722
Energy: 1.1058859238937684
Energy: 1.1872454960821734

minimum gb energy = 1.0044670417197121 eV
minimum distance =  2.32715853152068 Angstroms
sigma value = 43


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

Energy: 2.2110342214507113
Energy: 1.413435845569384
Energy: 1.2703695735693254
Energy: 1.1428962075816518
Energy: 1.4988154602677668
Energy: 1.1432892154064247
Energy: 1.1081427116007443
Energy: 1.1649201438349008
Energy: 1.1380909389848275
Energy: 1.100569951811076
Energy: 1.0853986760137015
Energy: 1.1612186925135053
Energy: 1.1149628480255518
Energy: 1.1039467573168857
Energy: 1.1056339791376917
Energy: 1.3023553190912562
Energy: 1.0853501573765896
Energy: 1.1011428799037253
Energy: 1.0985358520033188
Energy: 1.1063229205722365
Energy: 1.1013503886172111
Energy: 1.0984558056911755
Energy: 1.1218988993993
Energy: 1.1006315611745228
Energy: 1.0792570149225078
Energy: 1.1024740292030761
Energy: 1.1048417528985293
Energy: 1.079274329126388
Energy: 1.1491060018435608
Energy: 1.150444704755277
Energy: 1.08075029374291
Energy: 1.1489572537372792
Energy: 1.1488135829550314
Energy: 1.1662521162521469
Energy: 1.0802520761719903
Energy: 1.1469771518995664
Energy: 1.142940513045166
Energy: 1.079056943078175
Energy: 1.0790155293796848
Energy: 1.2052041746237359
Energy: 1.0792610043878428
Energy: 1.079247373260827
Energy: 1.3067263796038016
Energy: 1.0987172833384264
Energy: 1.1005082501066379
Energy: 1.1010736573848117
Energy: 1.0986215988126977
Energy: 1.3954044941898605
Energy: 1.1929327279009916
Energy: 1.1287600220048217
Energy: 1.0799973619219052
Energy: 1.1714977162613467
Energy: 1.1310397289791214
Energy: 1.1102678379160764
Energy: 1.4926760487273447
Energy: 1.1633019893371495
Energy: 1.1634988774590282
Energy: 1.31373507922216
Energy: 1.2410050536674915
Energy: 1.1619281011024556
Energy: 1.0668107406814384
Energy: 1.0992304448027044
Energy: 1.0985984877885295
Energy: 1.1607589533790696
Energy: 1.2153987539522284
Energy: 1.1551367766270486
Energy: 1.2621628101791813
Energy: 1.1303661604412756
Energy: 1.1296863146812388
Energy: 1.1684048660273438
Energy: 1.2826189247644553
Energy: 1.1301298237294084
Energy: 1.3105741014005767
Energy: 1.1021640943502
Energy: 1.0915097896545392
Energy: 1.1515789645851167
Energy: 1.1799885015656133
Energy: 1.0918371430990932
Energy: 1.0803968608651258
Energy: 1.079338420498354
Energy: 1.2229453941183341
Energy: 1.171167615134407
Energy: 1.0979158614732107
Energy: 1.1580137794333425
Energy: 1.0668242890329067
Energy: 1.1964599994258378
Energy: 1.1177456810206892
Energy: 1.1420150789874481
Energy: 1.2120497622821762
Energy: 1.196652496354219
Energy: 1.0675274442629499
Energy: 1.0615062765037335
Energy: 1.0668922790939155
Energy: 1.0669127445326196
Energy: 1.200610636560931
Energy: 1.0666726714021848
Energy: 1.0663061740958544
Energy: 1.1404099897425939
Energy: 1.1401461147459695
Energy: 1.0665079893453377
Energy: 1.1460588596382897
Energy: 1.140515285368289
Energy: 1.0663462446077425
Energy: 1.1550784756476609
Energy: 1.0992444279842393
Energy: 1.1894463934983976
Energy: 1.0994421843804274
Energy: 1.0988654047772866
Energy: 1.1936199329960318
Energy: 1.099963566957246
Energy: 1.1001508644968319
Energy: 1.128895124342529
Energy: 1.1230813233070926
Energy: 1.0999354885324855
Energy: 1.1927779012245274
Energy: 1.0996504592294782
Energy: 1.1026919706393383
Energy: 1.2346698349401934
Energy: 1.2320101490654782
Energy: 1.1252207303957018
Energy: 1.0807348553881162
Energy: 1.1878089989201375
Energy: 1.1968783925809832
Energy: 1.1868250102856603
Energy: 1.1782100907689241
Energy: 1.099272867706761
Energy: 1.3114706832684846
Energy: 1.0899243910367493
Energy: 1.2941591159738584
Energy: 1.3143178180200432
Energy: 1.1262431142776468
Energy: 1.2867794478592276
Energy: 1.312101279402199
Energy: 1.0993356740453035
Energy: 1.080407183856158
Energy: 1.1867584482059108
Energy: 1.0996103241876607
Energy: 1.1552812705023454
Energy: 1.2993372948024906
Energy: 1.2359098705906355
Energy: 1.1051300145330492
Energy: 1.0929730044077997
Energy: 1.1224895226117146
Energy: 1.1050214321639678
Energy: 1.305977923921816
Energy: 1.0859935664072262
Energy: 1.0867134564412357
Energy: 1.2471880039900465
Energy: 1.0856223920044366
Energy: 1.140695850427588
Energy: 1.1954254109699949
Energy: 1.07493336129422
Energy: 1.1965891104451138
Energy: 1.1449029078899822
Energy: 1.0747825155344388
Energy: 1.196575610377036
Energy: 1.1958708859435327
Energy: 1.0744324493421153
Energy: 1.0741636121823344
Energy: 1.0980331189923334
Energy: 1.1746887375735438
Energy: 1.0753378011592507
Energy: 1.1831846049994237
Energy: 1.162694806065524
Energy: 1.1102899661323464
Energy: 1.0997701924263465
Energy: 1.1942846715637225
Energy: 1.0792252103666182
Energy: 1.150457758011968
Energy: 1.0975506320950477
Energy: 1.1239169039274168
Energy: 1.1505884184993662
Energy: 1.122338986091239
Energy: 1.3428139529545935
Energy: 1.1224413745403146
Energy: 1.1652390270901014
Energy: 1.233711223184207
Energy: 1.0997270726253883
Energy: 1.0860413539315859
Energy: 1.0978505783520833
Energy: 1.0666679164260138
Energy: 1.4978361107142346
Energy: 1.4040211080990428
Energy: 1.2479708898642001
Energy: 1.4105538691044461
Energy: 1.2330363208755761

minimum gb energy = 1.0615062765037335 eV
minimum distance =  2.24508458252043 Angstroms
sigma value = 57


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

Energy: 1.838112254289107
Energy: 1.3407437914363216
Energy: 1.2659214025728236
Energy: 1.237291540596103
Energy: 1.7496083070716184
Energy: 1.4157281424550712
Energy: 1.1045625791286078
Energy: 1.1439193317244847
Energy: 1.1437668032696848
Energy: 1.1848801117507322
Energy: 1.179382865713828
Energy: 1.216867968119525
Energy: 1.5702020435436457
Energy: 1.120311245932998
Energy: 1.1111995997977242
Energy: 1.492606612130161
Energy: 1.1162497695266462
Energy: 1.100002811895157
Energy: 1.1408061412498718
Energy: 1.1079399909701613
Energy: 1.106815286839423
Energy: 1.142307801374567
Energy: 1.1070138540899697
Energy: 1.1358529493650402
Energy: 1.140143022998517
Energy: 1.1826873784946956
Energy: 1.1715618222880924
Energy: 1.1754197965136688
Energy: 1.1812618507698733
Energy: 1.1454150373757324
Energy: 1.0834752803384393
Energy: 1.1309520824920014
Energy: 1.1444480190354271
Energy: 1.1846770249285212
Energy: 1.1365915992763014
Energy: 1.1440819355763996
Energy: 1.1859334065889786
Energy: 1.1366834352652633
Energy: 1.135380788449015
Energy: 1.0550585232393315
Energy: 1.1983327132257573
Energy: 1.1493202525389206
Energy: 1.1287228980695645
Energy: 1.1955629053020929
Energy: 1.1955714314391224
Energy: 1.2108336205045749
Energy: 1.195511648004039
Energy: 1.256738264371543
Energy: 1.186653778297193
Energy: 1.257071874203807
Energy: 1.2583256318192637
Energy: 1.0493253410111891
Energy: 1.2555932348914483
Energy: 1.1848636455908408
Energy: 1.4764330814617868
Energy: 1.2189207895277638
Energy: 1.2070922547103773
Energy: 1.4768960977217864
Energy: 1.219331520563811
Energy: 1.2067106782323516
Energy: 1.0445162504809957
Energy: 1.1441953063007244
Energy: 1.0365937919901387
Energy: 1.0431909576075111
Energy: 1.1267107157980134
Energy: 1.0364279428737329
Energy: 1.038084164772084
Energy: 1.251437359313882
Energy: 1.2512881478117763
Energy: 1.093331903036152
Energy: 1.2515776718189884
Energy: 1.2512169043832453
Energy: 1.0403957899208913
Energy: 1.2516041357289691
Energy: 1.2517138555489329
Energy: 1.2520809149855827
Energy: 1.3553243862067377
Energy: 1.2517098506138897
Energy: 1.0439910373760566
Energy: 1.1573563588851592
Energy: 1.1936946524889367
Energy: 1.041834400426933
Energy: 1.1574393811671588
Energy: 1.0362103427604346
Energy: 1.2517463359554513
Energy: 1.104382928429452
Energy: 1.1443410415115596
Energy: 1.3876133926085197
Energy: 1.1090827720495473
Energy: 1.1440575108772983
Energy: 1.1564963682478422
Energy: 1.1634834444961395
Energy: 1.0421350000488128
Energy: 1.044205279040121
Energy: 1.223950840544085
Energy: 1.0416810745114393
Energy: 1.1800596398791647
Energy: 1.2129307668025355
Energy: 1.2125675166879595
Energy: 1.0420854184354593
Energy: 1.3306988600896104
Energy: 1.2118115812985706
Energy: 1.1799897632600636
Energy: 1.1367003531409439
Energy: 1.1649477752267225
Energy: 1.0417409952208538
Energy: 1.1377436254062205
Energy: 1.165147093940564
Energy: 1.1907384303303339
Energy: 1.1992518827828575
Energy: 1.2291121231761903
Energy: 1.045280518910823
Energy: 1.1989776338133604
Energy: 1.2292706815444978
Energy: 1.1997280870821176
Energy: 1.211381661574678
Energy: 1.2104410245414516
Energy: 1.2050892470745043
Energy: 1.4174350490734478
Energy: 1.2069561006701959
Energy: 1.156406275643334
Energy: 1.2328903208104536
Energy: 1.2155041255667205
Energy: 1.1570605775256368
Energy: 1.2014401233543937
Energy: 1.135543213824651
Energy: 1.4472477476300134
Energy: 1.2070459930517874
Energy: 1.326947743964351
Energy: 1.4463919328157284
Energy: 1.2071568825609778
Energy: 1.296565403065936
Energy: 1.1995092711247977
Energy: 1.2702418997028186
Energy: 1.2708986553625976
Energy: 1.208465695095595
Energy: 1.235227145580521
Energy: 1.2168597074653476
Energy: 1.1019703047226022
Energy: 1.6007087722108453
Energy: 1.456036038382099
Energy: 1.1846420233814756
Energy: 1.6003810297287442
Energy: 1.2170957077368345

minimum gb energy = 1.0362103427604346 eV
minimum distance =  2.307912362137 Angstroms
sigma value = 17


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

Energy: 1.9588180455696202
Energy: 1.3086655840155432
Energy: 1.3032474274455472
Energy: 1.0734281128743304
Energy: 1.5543551441960677
Energy: 1.0741042327497587
Energy: 1.0158558056193532
Energy: 1.160069911138236
Energy: 1.159952525159674
Energy: 1.1511867389336101
Energy: 1.1606859604409403
Energy: 1.0595873865265966
Energy: 1.4585802265845973
Energy: 1.009284983245806
Energy: 1.0149415770883952
Energy: 1.1367260748364547
Energy: 1.016322933092607
Energy: 1.0142718197637797
Energy: 1.1404422677071573
Energy: 1.0159423033777146
Energy: 1.0162332980138067
Energy: 1.1387779835431322
Energy: 1.0293080893121984
Energy: 1.1365120352515092
Energy: 1.0027927836694492
Energy: 1.0810225104923303
Energy: 1.060166047250316
Energy: 1.0036235754115004
Energy: 1.088043670467038
Energy: 1.0521293187536929
Energy: 1.0160978143444865
Energy: 1.0460411844127397
Energy: 1.0450042242269313
Energy: 1.0638350957040776
Energy: 0.9869212435521411
Energy: 1.0636416440502252
Energy: 1.0030622453803308
Energy: 0.9870032760458899
Energy: 0.9871167248667703
Energy: 1.003864105945802
Energy: 0.9882521383672997
Energy: 1.0355126611854588
Energy: 0.9870054435278892
Energy: 1.0728733155860217
Energy: 1.0723909150474464
Energy: 1.0717604612583653
Energy: 1.0718872066301142
Energy: 1.0840588518236212
Energy: 0.9907473160158922
Energy: 1.0724919208594692
Energy: 1.078878553169679
Energy: 0.9877617134261655
Energy: 1.0584610607110612
Energy: 0.9869989467577289
Energy: 0.9873541761617123
Energy: 1.0461621770129348
Energy: 1.046343471154316
Energy: 0.9872710251195949
Energy: 1.0453014394633309
Energy: 1.046336421202501
Energy: 1.2070976329075163
Energy: 1.057980252851554
Energy: 1.052003213352312
Energy: 1.0610749037395526
Energy: 1.136435356906441
Energy: 1.0624402406567608
Energy: 1.154625400533617
Energy: 1.1358216530196736
Energy: 1.1358714542611774
Energy: 1.1350750932790228
Energy: 1.1372244650608279
Energy: 1.136217873763079
Energy: 1.1346285538543048
Energy: 1.133652771985324
Energy: 1.13387928951661
Energy: 1.0496811492316542
Energy: 1.2776096561889771
Energy: 1.134741624086174
Energy: 0.9877891631622655
Energy: 1.1595989763170338
Energy: 1.1609687632437624
Energy: 1.025256838261035
Energy: 1.1601661597111748
Energy: 1.2281554770012646
Energy: 1.1543005926580214
Energy: 1.133176001528936
Energy: 1.2775856729164274
Energy: 1.5194011004285168
Energy: 1.1343011543910624
Energy: 1.1892312891869226
Energy: 1.3079558098499624
Energy: 1.1522451903476225
Energy: 1.083310575951688
Energy: 1.1612163249570508
Energy: 1.1521219334675425
Energy: 1.1379187292775692
Energy: 1.1217593252497857
Energy: 1.1367660618730504
Energy: 1.2542427147606527
Energy: 1.177737627513713
Energy: 1.1367497138299063
Energy: 1.2541853319227665

minimum gb energy = 0.9869212435521411 eV
minimum distance =  2.29704279052162 Angstroms
sigma value = 17


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

Energy: 2.0923967944007056
Energy: 1.244234932864306
Energy: 1.0386076572658767
Energy: 1.0354914282655898
Energy: 1.579917409180843
Energy: 1.0357404901800014
Energy: 0.9908652278983993
Energy: 1.0988461586835077
Energy: 0.995985755311408
Energy: 1.1086739941549772
Energy: 1.1007865871200258
Energy: 1.027364176145041
Energy: 1.3552771026328643
Energy: 1.056709045987605
Energy: 0.9918228322475064
Energy: 1.098315163600084
Energy: 1.0243317149651228
Energy: 0.9912746338586328
Energy: 1.1000496258205912
Energy: 0.9913194020342323
Energy: 0.9915140492019934
Energy: 1.1012791001852056
Energy: 0.9481745740862225
Energy: 0.9910352493375576
Energy: 0.9624131088368
Energy: 0.9954574333850877
Energy: 0.9967345775608538
Energy: 0.9632865705356414
Energy: 0.9940756704302568
Energy: 0.9966166910412275
Energy: 0.9914958551164772
Energy: 0.9476381215677886
Energy: 1.0220980214839088
Energy: 0.9856994415024628
Energy: 0.9474412192629492
Energy: 0.9854133036967497
Energy: 1.0031096036885354
Energy: 0.9475104846342832
Energy: 0.9467420017703113
Energy: 0.9532371550417835
Energy: 0.9502939017085255
Energy: 0.9767053785068964
Energy: 1.2473340925671472
Energy: 0.9606433325700833
Energy: 1.0262621562009044
Energy: 1.0456302271871676
Energy: 0.960953523648573
Energy: 1.034182406734527
Energy: 0.8881030702513105
Energy: 0.9725104190160583
Energy: 0.886728562762131
Energy: 0.8897923221701856
Energy: 0.8867650723586082
Energy: 0.8872982919014221
Energy: 0.8871160074490158
Energy: 0.9665438777685952
Energy: 0.9658758011241985
Energy: 0.8871855958453942
Energy: 0.9684223123303081
Energy: 0.9706187561430509
Energy: 0.886972635729894
Energy: 0.8862524993966796
Energy: 0.9768353153295033
Energy: 0.9701370647500694
Energy: 0.8870511328028934
Energy: 0.9752601729041435
Energy: 0.8899896627303477
Energy: 0.8875606617933622
Energy: 0.8874862416123219
Energy: 0.8913371252000833
Energy: 0.8874280608817816
Energy: 0.939901535918023
Energy: 0.9462583708207769
Energy: 1.03187592646236
Energy: 1.0318069104854242
Energy: 1.0836760763711306
Energy: 1.0342178074870374
Energy: 0.977197908255433
Energy: 0.9480622955968153
Energy: 0.994177854365911
Energy: 0.9769903594701773
Energy: 0.9478126712552933
Energy: 0.9624765661225442
Energy: 0.9469118782812728
Energy: 0.9485655626013859
Energy: 1.015543338001336
Energy: 1.0106173224933614
Energy: 0.9484779966084411
Energy: 1.009468129471568
Energy: 0.9936592004597652
Energy: 1.2779398925804193
Energy: 1.097478230309144
Energy: 0.990927757616381
Energy: 0.9943460504845499
Energy: 1.097643865425613
Energy: 0.9978258728159898
Energy: 0.8887536033139719
Energy: 1.0986495101982745
Energy: 1.0987238302360605
Energy: 0.8900934701403355
Energy: 1.0988557240823458
Energy: 1.0276674317552856
Energy: 0.9659886249940366
Energy: 1.0992816604345
Energy: 1.0988611658639265
Energy: 0.9667889463517274
Energy: 1.0988579469522903
Energy: 0.9944080675774258
Energy: 1.2457941601842282
Energy: 1.0973128569106723
Energy: 1.028389165898627
Energy: 1.099048664876522
Energy: 1.0065379576114426
Energy: 0.9972621621091089
Energy: 1.5395670387395657
Energy: 1.028943395784592
Energy: 0.9928164714963325
Energy: 1.5078130636021416
Energy: 1.0286616398015325
Energy: 1.1036598318221553
Energy: 1.363989057143701
Energy: 1.0978579263583184
Energy: 1.0303781171388202
Energy: 1.1000918759572518
Energy: 1.1031373294791131
Energy: 1.0984136787724876
Energy: 0.9006255237354023
Energy: 1.1065664150668464
Energy: 1.2022267979554868
Energy: 0.9914499593554894
Energy: 1.1055633956928335
Energy: 0.9911195420478734
Energy: 1.0701373498582782
Energy: 1.0992825595652922
Energy: 1.099269990965097
Energy: 1.0710027308886894
Energy: 1.1012402673932642
Energy: 1.2018951877274815
Energy: 1.3621455833686358
Energy: 1.0107018856277261
Energy: 1.098880657407865
Energy: 1.0999365404477452
Energy: 1.0703013461728736
Energy: 1.0981666522332247
Energy: 1.0998844944353858
Energy: 1.0592120653261028
Energy: 0.9912307338665927
Energy: 1.0991151648715713
Energy: 1.058908857006511
Energy: 0.9928124373093828
Energy: 1.1676239753569813
Energy: 0.9917017761702531
Energy: 0.9924759972118947
Energy: 1.169097977149691
Energy: 0.9979259493541278
Energy: 1.024645694282069
Energy: 0.9920214388521456
Energy: 0.9948512268197558
Energy: 0.9940906283599006
Energy: 0.9857141647135863
Energy: 1.0488443163772485
Energy: 0.9850456866045392
Energy: 0.9491195589923458
Energy: 0.9472489774721684
Energy: 0.9473588166737733
Energy: 0.9922495613329633
Energy: 0.9491126940946554
Energy: 0.9472721368411071
Energy: 1.295182910179417
Energy: 0.9838365772565585
Energy: 0.9855473156234577
Energy: 0.9882608936349235
Energy: 0.9465509672451223
Energy: 0.9865563525275465
Energy: 0.8877944095909334
Energy: 0.9608985919250362
Energy: 0.9765203671366532
Energy: 0.8878477991058553
Energy: 0.960938890246995
Energy: 0.9805378187824549
Energy: 0.8881159569054438
Energy: 0.9719125734886099
Energy: 0.9774540796534793
Energy: 0.8876542936592984
Energy: 0.9633930094596355
Energy: 0.9402087767557772
Energy: 0.8890057457451744
Energy: 0.9719556491472463
Energy: 0.9788434774549865
Energy: 1.0165258578800294
Energy: 0.9643752997648913
Energy: 0.9719406615868852
Energy: 0.9839004184028571
Energy: 0.8871914644349621
Energy: 0.8876709443570446
Energy: 0.9814629259184984
Energy: 0.8882485612701287
Energy: 0.8875132863006234
Energy: 0.9465111183905592
Energy: 0.9844433839852778
Energy: 0.9868211107832908
Energy: 0.9754075188810861
Energy: 0.887164256752324
Energy: 0.985408985097101
Energy: 0.946933785446908
Energy: 0.9826624530954478
Energy: 0.9832343989531764
Energy: 0.9467145068966457
Energy: 0.9826946533862132
Energy: 0.9852986304447446
Energy: 0.9477588192754955
Energy: 1.00981424344306
Energy: 0.991480622282827
Energy: 0.9479737029384624
Energy: 1.0096416796450158
Energy: 0.9476378671081164
Energy: 1.312196974292392
Energy: 0.9824271955809962
Energy: 0.9934612791376258
Energy: 0.9972361855289147
Energy: 0.9657419234292788
Energy: 0.994673015110961
Energy: 1.0543206904749907
Energy: 1.0997251252901599
Energy: 1.098289263499101
Energy: 0.9389536652455059
Energy: 1.1021905402082266
Energy: 0.9974198728206913
Energy: 0.9614501284680574
Energy: 1.099604411357326
Energy: 0.9936113588434736
Energy: 0.9937710454350631
Energy: 1.2134400414802164
Energy: 0.9935375836121256
Energy: 1.1206630805417597
Energy: 1.098673335509006
Energy: 1.0980194043407328
Energy: 0.9653883336406088
Energy: 1.0992691520139497
Energy: 1.0245579554766264
Energy: 1.2544017318619656
Energy: 1.0281844745373125
Energy: 1.0985232562344605
Energy: 1.1047191039927517
Energy: 1.0287546163032473
Energy: 1.098798229126933
Energy: 1.355501948250628
Energy: 1.0809422772477604
Energy: 1.0979868311775076
Energy: 1.1019808523406422
Energy: 1.1090100156059544
Energy: 1.098408238680862
Energy: 1.0693445122298924
Energy: 1.099561905235325
Energy: 1.0993173502245368
Energy: 1.0705673112362135
Energy: 1.1047683873606162
Energy: 1.2023658792423855

minimum gb energy = 0.8862524993966796 eV
minimum distance =  2.28687159856134 Angstroms
sigma value = 57


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

Energy: 1.9253381876999205
Energy: 1.173569995356537
Energy: 0.995068349805718
Energy: 1.015801869599424
Energy: 1.4844098244996302
Energy: 1.0884678614487056
Energy: 1.20407298898704
Energy: 1.0594632434629383
Energy: 0.9453472678483887
Energy: 1.0602875485978798
Energy: 1.0523492722073913
Energy: 0.9491429362807724
Energy: 1.2631354838466362
Energy: 0.9899253940977036
Energy: 0.9900982078652361
Energy: 1.1448292195335035
Energy: 0.9899122341687104
Energy: 0.9566503450140263
Energy: 1.0519307358800762
Energy: 0.9899570765582062
Energy: 0.9569093298741796
Energy: 1.0527224161291984
Energy: 0.9856956223171284
Energy: 0.9563875458987271
Energy: 0.905230881886209
Energy: 0.9432882069658732
Energy: 0.9475423451201539
Energy: 0.9057670707667212
Energy: 0.9481086308954811
Energy: 0.9445133148260433
Energy: 0.8540850194399929
Energy: 0.9123610198974303
Energy: 0.9911109892155128
Energy: 0.9620485090308173
Energy: 0.9118315443749209
Energy: 0.9905626033812742
Energy: 1.2173272532723545
Energy: 0.9181230169061034
Energy: 0.9119548718537692
Energy: 1.0585488482973522
Energy: 0.9186414202122792
Energy: 0.9909954828642613
Energy: 1.157361348971811
Energy: 0.8881241096104461
Energy: 0.9088981903800786
Energy: 1.0042516072390215
Energy: 0.8890111145277628
Energy: 0.9274561538105041
Energy: 0.8449902757950124
Energy: 0.9125755007076655
Energy: 0.841440961065443
Energy: 0.8468072563807435
Energy: 0.8990130619676747
Energy: 0.8415403359567303
Energy: 0.8419249664090438
Energy: 0.9160260452259877
Energy: 0.9144473460761904
Energy: 0.8422638097644417
Energy: 0.9026710276864662
Energy: 0.9051736591728906
Energy: 0.8164222318063207
Energy: 0.810160503383034
Energy: 0.899792714245192
Energy: 0.8812159115009645
Energy: 0.8101604262094462
Energy: 0.9040235561570413
Energy: 0.847761703217949
Energy: 0.8105356411477949
Energy: 0.8100333810948451
Energy: 0.8466756106423896
Energy: 0.8175126476200432
Energy: 0.8597435973101148
Energy: 0.9895043764873833
Energy: 0.9605656459545466
Energy: 0.9640926435119264
Energy: 1.0487675164839814
Energy: 0.931666709531097
Energy: 0.954006596978813
Energy: 0.8105982266768929
Energy: 0.8837868159232177
Energy: 0.8096628413735067
Energy: 0.8127768063702362
Energy: 0.8412898539112328
Energy: 0.8096052587827776
Energy: 0.8101831065338476
Energy: 0.9204562852054138
Energy: 0.9200142314668276
Energy: 0.8102198215500669
Energy: 0.9236677014453372
Energy: 0.8908508978146584
Energy: 1.1445299182265354
Energy: 0.8416989306444337
Energy: 0.9159830767075737
Energy: 0.9111160921784887
Energy: 0.8414828910964467
Energy: 0.9143862030628339
Energy: 0.8610461490246307
Energy: 0.8417630379096513
Energy: 0.8418197717887819
Energy: 0.9143000809321202
Energy: 0.8508415120606724
Energy: 0.8843538215972533
Energy: 0.912531197656279
Energy: 0.8878865879326298
Energy: 0.9477152773074697
Energy: 0.9104866681829371
Energy: 0.9252561427201667
Energy: 0.9518967534395952
Energy: 0.9117665778775207
Energy: 0.9470986295381156
Energy: 0.9117036281484547
Energy: 0.9139515671157662
Energy: 0.9801811754997926
Energy: 0.9120999123041359
Energy: 1.056928041802052
Energy: 0.9810354726869437
Energy: 0.9804112369618107
Energy: 1.0573404528213686
Energy: 0.9399553769061242
Energy: 0.9514900317578536
Energy: 1.1977181670364134
Energy: 1.104205573452291
Energy: 0.9506346344577067
Energy: 0.9426470523079604
Energy: 1.0620242424583008
Energy: 0.9509862187798965
Energy: 0.910671196195679
Energy: 1.0496361306641948
Energy: 0.9115470322545234
Energy: 0.9780730513650505
Energy: 1.0625371675858253
Energy: 0.978802366119167
Energy: 0.9278289467926668
Energy: 1.0578538779091804
Energy: 1.0493490606750422
Energy: 0.929129519302786
Energy: 1.0545587589979684
Energy: 1.0397356962051816
Energy: 1.1713159034508591
Energy: 0.9465946951043083
Energy: 0.9388421607559593
Energy: 1.0500903935935308
Energy: 0.9624328800330741
Energy: 0.9497406844386657
Energy: 1.2755386588442048
Energy: 0.9760517749040056
Energy: 0.9789206962930872
Energy: 1.2013774406920699
Energy: 0.9764492449084491
Energy: 1.0493845744063879
Energy: 1.2716608701846195
Energy: 1.0605590910065759
Energy: 1.049599979507461
Energy: 1.0547226999305925
Energy: 1.0555675107236988
Energy: 1.124057933585161
Energy: 0.9558880383429568
Energy: 1.057419143739057
Energy: 0.9571448397708475
Energy: 0.9900011703670039
Energy: 1.1462002100323945
Energy: 0.957026514450871

minimum gb energy = 0.8096052587827776 eV
minimum distance =  2.28831535344499 Angstroms
sigma value = 43


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

Energy: 1.837467199499261
Energy: 1.040182500339475
Energy: 0.8824562392447209
Energy: 0.8690232248141582
Energy: 1.295953814330796
Energy: 0.9112542182163381
Energy: 1.0355216053624157
Energy: 0.8299527933432959
Energy: 0.8302548400037387
Energy: 0.9220964665841102
Energy: 0.8287552547629747
Energy: 0.8614448752796309
Energy: 1.0826749927069985
Energy: 0.8352857921083919
Energy: 0.8661622824717339
Energy: 0.9221559571956391
Energy: 0.8307083243777835
Energy: 0.8230137217248282
Energy: 0.9221746231662199
Energy: 0.8659469399529514
Energy: 0.8227552102600323
Energy: 0.9220053469101595
Energy: 0.9527437996401462
Energy: 0.851997706935197
Energy: 0.8522901402639624
Energy: 0.8142948611231867
Energy: 0.8289104090567192
Energy: 0.8523219496499755
Energy: 0.8186260280021677
Energy: 0.8286411096409397
Energy: 0.7269372423353443
Energy: 0.8140651280608605
Energy: 0.8643511690211664
Energy: 0.8169074677133602
Energy: 0.8141545340980311
Energy: 0.8325491396788179
Energy: 1.0453009830571798
Energy: 0.8145584759190383
Energy: 0.8140894869948019
Energy: 0.912839751153615
Energy: 0.8148460866151522
Energy: 0.8770701274988375
Energy: 0.9946225499712021
Energy: 0.8134854701441184
Energy: 0.7984434824226165
Energy: 0.8021974258978101
Energy: 0.8109184393438379
Energy: 0.8315445829466822
Energy: 0.7543821309001217
Energy: 0.8297888778556913
Energy: 0.7511130731896603
Energy: 0.7566018197426289
Energy: 0.775261377265307
Energy: 0.7514191123089875
Energy: 0.7522198268494809
Energy: 0.7825362168950096
Energy: 0.7752557961306636
Energy: 0.751827199684346
Energy: 0.7834045443144375
Energy: 0.770486248643693
Energy: 0.696382338593456
Energy: 0.7113975325010647
Energy: 0.7113677563066696
Energy: 0.803258405700191
Energy: 0.7118587212297324
Energy: 0.8130902944134949
Energy: 0.751590981785522
Energy: 0.7117847484919857
Energy: 0.7115230607226056
Energy: 0.7517098625454113
Energy: 0.7119968424182234
Energy: 0.7618661815861983
Energy: 0.9668615045615432
Energy: 0.782565476774314
Energy: 0.764066888180177
Energy: 0.9692430597171131
Energy: 0.7328638701836022
Energy: 0.7691250434896992
Energy: 0.6880858965459403
Energy: 0.8682083179677332
Energy: 0.6871761161566886
Energy: 0.6898772614884112
Energy: 0.7146071142738267
Energy: 0.6877161795969803
Energy: 0.6876869816186544
Energy: 0.7334026600784211
Energy: 0.732674543420355
Energy: 0.6877274469910352
Energy: 0.782138749701246
Energy: 0.733349743864488
Energy: 0.9580932780997714
Energy: 0.6763105184679409
Energy: 0.6756314508497788
Energy: 0.7335461899281435
Energy: 0.6764520433291354
Energy: 0.7420996482985474
Energy: 0.6919688240974473
Energy: 0.6761688854052513
Energy: 0.6758621815973935
Energy: 0.9642013671189796
Energy: 0.6763351993209189
Energy: 0.7387192178594081
Energy: 0.6759416985696047
Energy: 0.771352233944711
Energy: 0.7812627229300332
Energy: 0.8284761698968697
Energy: 0.772940679390523
Energy: 0.7416797391819908
Energy: 0.6763068112344484
Energy: 0.9634765061335446
Energy: 0.6759920419044338
Energy: 0.6787008057290562
Energy: 0.9672944393431004
Energy: 0.6762904325953147
Energy: 0.8338888323578846
Energy: 0.7776626356910865
Energy: 0.7781606935122909
Energy: 0.962564732897316
Energy: 0.7565514619167301
Energy: 0.7482390751024752
Energy: 0.7158591057856157
Energy: 0.6876410695802723
Energy: 0.6868645326146896
Energy: 0.7319222047771038
Energy: 0.6877426152359106
Energy: 0.7516042884833323
Energy: 0.678381650730976
Energy: 0.6876496793195341
Energy: 0.687009437103965
Energy: 0.7433962073359661
Energy: 0.6878024486849317
Energy: 0.7787497710381767
Energy: 0.7112703688793787
Energy: 0.7417952255785267
Energy: 0.739674407490687
Energy: 0.711585561526079
Energy: 0.7734695864034729
Energy: 0.7471955228533629
Energy: 0.7118164239584214
Energy: 0.7537245278968412
Energy: 0.71156198028793
Energy: 0.7140057574895906
Energy: 0.7519591338341685
Energy: 0.7117894702712055
Energy: 0.9770887966055135
Energy: 0.8016924707401832
Energy: 0.7546649459849905
Energy: 0.9794987950259337
Energy: 0.773074525085825
Energy: 0.7553957957510782
Energy: 0.8179431383591845
Energy: 0.7514353008757064
Energy: 0.7513202669312572
Energy: 0.9011689557736626
Energy: 0.7520459013427638
Energy: 0.7863022367140162
Energy: 0.713251396158081
Energy: 0.7513040982155634
Energy: 0.7513546395023006
Energy: 0.8099221680538332
Energy: 0.7512253569991852
Energy: 0.8229836569581677
Energy: 0.7906749065496023
Energy: 0.7903129936537873
Energy: 0.7844862161493519
Energy: 0.8147615009646583
Energy: 0.7990564458916396
Energy: 0.8143805394256781
Energy: 0.8171715840374194
Energy: 0.8480263096956354
Energy: 0.8143006150049895
Energy: 0.819121601538387
Energy: 0.9002103401284308
Energy: 0.8146855982844999
Energy: 1.0231681048144763
Energy: 0.8263887718391918
Energy: 0.8506783233745078
Energy: 0.9111201593701007
Energy: 0.823922914085621
Energy: 0.8503553770108523
Energy: 1.0486355283108937
Energy: 0.8299258183417295
Energy: 0.830759770510667
Energy: 0.8304246612975924
Energy: 0.8293178308461358
Energy: 0.8235255598023614
Energy: 0.7534524902564109
Energy: 0.9222457784841953
Energy: 0.8613424854167706
Energy: 0.8276889738994442
Energy: 0.9221341867983214
Energy: 0.8520099610017243
Energy: 0.9292451421842298
Energy: 0.9230832301315142
Energy: 0.9222472049917236
Energy: 0.8308711555046129
Energy: 0.9261902398221813
Energy: 0.9098191689058243
Energy: 1.0528343948147465
Energy: 0.8515769381427062
Energy: 0.8491174271561746
Energy: 0.9216254185193112
Energy: 0.9871248253779957
Energy: 0.921928176816239
Energy: 1.0823789486848736
Energy: 0.8537331953385934
Energy: 0.8627009726536919
Energy: 0.9222782971329389
Energy: 0.850752062684531
Energy: 0.8624368239942034
Energy: 1.0792315667581664
Energy: 0.922362302421378
Energy: 0.9223943018833605
Energy: 0.9240938687614394
Energy: 0.9264003805973987
Energy: 0.9547206882679172

minimum gb energy = 0.6756314508497788 eV
minimum distance =  2.27392455879211 Angstroms
sigma value = 81


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

Energy: 0.04895475054556948
Energy: 0.9702217217920728
Energy: 0.0497846861107903
Energy: 0.051967504723065036
Energy: 0.04960802308999381
Energy: 0.049665303230805966
Energy: 0.10374744441245484
Energy: 0.04997566002340839
Energy: 0.05019200017861029
Energy: 0.10218659677483959
Energy: 0.05204337960096509
Energy: 0.05019555951250425
Energy: 0.10124686185747671
Energy: 0.0498061164652119
Energy: 0.049748775845874345
Energy: 0.10120348721933947
Energy: 0.049536724804367466
Energy: 0.10187873981525301
Energy: 0.053888119912383556
Energy: 0.049692669495372585
Energy: 0.04930950603905885
Energy: 0.05246949004139652
Energy: 0.04970250492089243
Energy: 0.10309705298072347
Energy: 0.10228130078760365
Energy: 0.10127992082698349
Energy: 0.10119641755809414
Energy: 0.10321449388909609
Energy: 0.10118898502667162
Energy: 0.10123986437639722
Energy: 0.05075392727672638
Energy: 0.050112588009112904
Energy: 0.04965439419064179
Energy: 0.0525732101647474
Energy: 0.050351203590177564
Energy: 0.04962491184108933
Energy: 0.10123373300320097
Energy: 0.050012755737108366
Energy: 0.05016037679878611
Energy: 0.10107355399007453
Energy: 0.049865777532836636
Energy: 0.050196180839297236
Energy: 0.10113608767594408
Energy: 0.049556679754762384
Energy: 0.04990340207957493
Energy: 0.1012416459679564
Energy: 0.04960960215894723
Energy: 0.10281929668827222
Energy: 0.051908665465355636
Energy: 0.04967299694908148
Energy: 0.10295963186521599
Energy: 0.0531544334943816
Energy: 0.04983870229131881
Energy: 0.10432047854714387
Energy: 0.04969906154259333
Energy: 0.10100112795175364
Energy: 0.10108369130264394
Energy: 0.04937573278722789
Energy: 0.1012103189941417
Energy: 0.1007040369484311

minimum gb energy = 0.04895475054556948 eV
minimum distance =  2.46767810642081 Angstroms
sigma value = 3


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

Energy: 0.8778028132970505
Energy: 0.8770543656996799
Energy: 0.8607388988901159
Energy: 0.9018242034646277
Energy: 0.8384177481124164
Energy: 0.9730043782696481
Energy: 0.860852538049322
Energy: 0.8946040007918441
Energy: 0.9097358885740818
Energy: 0.8639502809426334
Energy: 0.8969272807297703
Energy: 0.8694419289839037
Energy: 0.9185971358286485
Energy: 0.8891400190285255
Energy: 0.8826022470756031
Energy: 0.8902533617083223
Energy: 0.8293855012035511
Energy: 0.9046620806370977
Energy: 0.8372108396747868
Energy: 0.8830691466344468
Energy: 0.8767995602549071
Energy: 0.8372916942541273
Energy: 0.7653560114183033
Energy: 0.8954728844068289
Energy: 0.7758013649608733
Energy: 0.9106989983920866
Energy: 0.9093833813672761
Energy: 0.7759273807725522
Energy: 0.8979772081163533
Energy: 0.9095068621740107
Energy: 0.8391635817642592
Energy: 0.8688757690607671
Energy: 0.8956824668463451
Energy: 0.8566806642005121
Energy: 0.8685341890642628
Energy: 0.8921115047696678
Energy: 0.8452922904877783
Energy: 0.8580441067125717
Energy: 0.8576641446496895
Energy: 0.8452493207156673
Energy: 0.8617721935051442
Energy: 0.8633705600003713
Energy: 0.8364190966658617
Energy: 0.8980794165837448
Energy: 0.8628323003088832
Energy: 0.8363830332963802
Energy: 0.8888151391276915
Energy: 0.8169377656251635
Energy: 0.8766762325060048
Energy: 0.8602350761963365
Energy: 0.8837487676850896
Energy: 0.8851428231931282
Energy: 0.8093600404332587
Energy: 0.8845423978455961
Energy: 0.8147716938823011
Energy: 0.7845940487232693
Energy: 0.7846204532452871
Energy: 0.8150572213874637
Energy: 0.7891326693196259
Energy: 0.8203874638140372
Energy: 0.8341791267175245
Energy: 0.9082085622662884
Energy: 0.9357731448654582
Energy: 0.8903568360321451
Energy: 0.8361338261398348
Energy: 0.8915017977245733
Energy: 0.7380187746005851
Energy: 0.8688523382665286
Energy: 0.8683091349675196
Energy: 0.735368083703633
Energy: 0.8694907495746844
Energy: 0.7354294514352574
Energy: 0.7375462603381765
Energy: 0.8612538769633131
Energy: 0.8926668625897421
Energy: 0.7376618251522488
Energy: 0.8610183540365267
Energy: 0.7409573734543938
Energy: 0.8360287078765026
Energy: 0.8523916487184449
Energy: 0.8429323571518533
Energy: 0.8542928656411619
Energy: 0.7684517464341836
Energy: 0.8483714945950378
Energy: 0.8178567286255677
Energy: 0.7022585367362614
Energy: 0.7022166803093569
Energy: 0.8170842420691193
Energy: 0.7053648721298427
Energy: 0.7024958223840896
Energy: 0.8147849000046883
Energy: 0.8549941699736807
Energy: 0.8548398172617258
Energy: 0.8159388772027996
Energy: 0.8055085456624671
Energy: 0.8679219615125512
Energy: 0.6857324656507293
Energy: 0.829129650854759
Energy: 0.6900644804122341
Energy: 0.6853294042608273
Energy: 0.8430839630338214
Energy: 0.6844958659302515
Energy: 0.684465183214097
Energy: 0.847976178422647
Energy: 0.8482631703273594
Energy: 0.684568564808345
Energy: 0.8457926403557866
Energy: 0.6870479167323525
Energy: 0.8026384767449811
Energy: 0.7536050644011228
Energy: 0.848140187880349
Energy: 0.8459096303254702
Energy: 0.7740208415020277
Energy: 0.8472172878370543
Energy: 0.8209359925924405
Energy: 0.6843260499172805
Energy: 0.6842725132188063
Energy: 0.8227295880637758
Energy: 0.6870423207899345
Energy: 0.6845371023645452
Energy: 0.8042827827107126
Energy: 0.8456576346310266
Energy: 0.8310413131964248
Energy: 0.8045989924012582
Energy: 0.8163671473805645
Energy: 0.8339370693713001
Energy: 0.7048163655470434
Energy: 0.8525144498269539
Energy: 0.7649513817309981
Energy: 0.70429061684268
Energy: 0.8159229655677077
Energy: 0.7027651898902001
Energy: 0.7027114470463488
Energy: 0.8520654596131404
Energy: 0.8529743640995849
Energy: 0.7027004350150018
Energy: 0.8536623317278729
Energy: 0.8508977270796177
Energy: 0.8212293759559521
Energy: 0.7410700544158617
Energy: 0.7389148999597994
Energy: 0.8719820546770058
Energy: 0.7398116047255049
Energy: 0.8728832657557143
Energy: 0.8520903665389714
Energy: 0.735949098209588
Energy: 0.7358882837638222
Energy: 0.8374859244537377
Energy: 0.7395756647754346
Energy: 0.7359953289188798
Energy: 0.8412581381800072
Energy: 0.9085268083710061
Energy: 0.9087128937274691
Energy: 0.8419151939498506
Energy: 0.8644006417657926
Energy: 0.9376863625421223
Energy: 0.7932469955122943
Energy: 0.8485350095833767
Energy: 0.8484390209167065
Energy: 0.7855349774033412
Energy: 0.8519793137252822
Energy: 0.7862517564865545
Energy: 0.7524759848155481
Energy: 0.8906505946945328
Energy: 0.8894163029819249
Energy: 0.7524288680684046
Energy: 0.8885707071886629
Energy: 0.8854490351157566
Energy: 0.8447889957643915
Energy: 0.8321943888436125
Energy: 0.8428854811981858
Energy: 0.9062587496904293
Energy: 0.8315495313675619
Energy: 0.9071055714655217
Energy: 0.7837955010634388
Energy: 0.8503946726353809
Energy: 0.84824803166429
Energy: 0.7833601684118395
Energy: 0.8506208298431426
Energy: 0.8528548827358697
Energy: 0.853350950000283
Energy: 0.8715278103046118
Energy: 0.8716510695472051
Energy: 0.8527060824597268
Energy: 0.9027141914923167
Energy: 0.8775293384200218
Energy: 0.9281601210147494
Energy: 0.8762587473472346
Energy: 0.888872937630699
Energy: 0.9006991126702512
Energy: 0.7962822098455703
Energy: 0.9092246423277682
Energy: 0.7951578250103962
Energy: 0.8399099635708825
Energy: 0.8394234783286184
Energy: 0.7948859131709212
Energy: 0.8430003378511942
Energy: 0.864547937119459

minimum gb energy = 0.6842725132188063 eV
minimum distance =  2.29788404857136 Angstroms
sigma value = 67


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

Energy: 1.154750951682817
Energy: 1.068827441608729
Energy: 1.165283578801914
Energy: 1.1143354333358877
Energy: 1.2769882408343465
Energy: 1.0943211875747232
Energy: 1.046795240643361
Energy: 1.075577235937533
Energy: 1.0757343360922624
Energy: 1.0492534727916072
Energy: 1.0808550626295195
Energy: 1.076483367020587
Energy: 1.1233276172287123
Energy: 1.1374952683829553
Energy: 1.0724707035588241
Energy: 1.0827245552002855
Energy: 1.1588688484261505
Energy: 1.0728354227599928
Energy: 1.013075926108792
Energy: 1.0723364049602173
Energy: 1.073611172602149
Energy: 1.0150761595730717
Energy: 1.0864360486476714
Energy: 1.0731276273714816
Energy: 1.000251755066556
Energy: 1.1088593094361514
Energy: 1.0753911523164887
Energy: 1.0001516501447294
Energy: 1.0803034252597752
Energy: 1.074656408835995
Energy: 1.0812237820272774
Energy: 1.0497587219276134
Energy: 1.14731500822267
Energy: 0.9269762353441062
Energy: 1.0506771955740941
Energy: 1.1475410938331874
Energy: 1.0088778067998192
Energy: 1.0035029835707967
Energy: 1.0028754001152438
Energy: 1.009468280399546
Energy: 1.089908599392214
Energy: 1.003045815817162
Energy: 1.005304525410283
Energy: 1.0843274530254756
Energy: 1.0024879199403176
Energy: 1.0029847488647048
Energy: 1.0778664876366228
Energy: 1.0027411653153544
Energy: 1.034502135765408
Energy: 1.0227532375716601
Energy: 1.0696974086427746
Energy: 1.0333892877705528
Energy: 0.9193222087148291
Energy: 1.0503090895771303
Energy: 1.0374819855355901
Energy: 0.9294853504063333
Energy: 0.9213764917021733
Energy: 1.0372654048051493
Energy: 0.9251935661521375
Energy: 0.9211876983126425
Energy: 1.0322118460533947
Energy: 1.0448044409423631
Energy: 1.0664899648069197
Energy: 0.8806030468099129
Energy: 1.0053492032052413
Energy: 1.0676316590698962
Energy: 0.8776188934559306
Energy: 1.0441408610936167
Energy: 0.9749966333638894
Energy: 0.8760095392092393
Energy: 1.0461426178859214
Energy: 0.8752751429100739
Energy: 0.8788033058967548
Energy: 1.0488515690469784
Energy: 1.0359617479624985
Energy: 0.878180344200391
Energy: 1.0474303279205255
Energy: 0.8779506618544103
Energy: 1.0366272686440015
Energy: 1.025497367521805
Energy: 1.0360535933847919
Energy: 0.8773586565420957
Energy: 1.0245747000548668
Energy: 1.0474369265855243
Energy: 1.001199514680307
Energy: 0.8829245329672486
Energy: 0.8775165114103822
Energy: 1.0029536105036572
Energy: 0.8794362084180912
Energy: 0.8777244409091206
Energy: 1.0139157753529775
Energy: 1.0392946152984974
Energy: 1.047250127365695
Energy: 0.9887022266070901
Energy: 0.9533111677649955
Energy: 1.0447836953125986
Energy: 0.925966483191928
Energy: 1.059106149512849
Energy: 0.9641060150484086
Energy: 0.9266125122093256
Energy: 0.964971633299648
Energy: 0.923550390014456
Energy: 0.9196369100737071
Energy: 1.0605858720244574
Energy: 1.0639181379224414
Energy: 0.9203382410601622
Energy: 1.0466873066165574
Energy: 0.9193872988814823
Energy: 1.0464271181663496
Energy: 1.0312073588378208
Energy: 1.1086714538899447
Energy: 0.8958902912390425
Energy: 1.0309250910768988
Energy: 1.1092734279653116
Energy: 1.0031651831660793
Energy: 1.0348711323085058
Energy: 1.0057376286959794
Energy: 1.003250544501741
Energy: 1.0068763319302707
Energy: 1.0027749098349215
Energy: 1.007157807085207
Energy: 1.0520224729101775
Energy: 1.0492542321410432
Energy: 1.0357552738818254
Energy: 1.1108204450326185
Energy: 1.0470041537371273
Energy: 1.1223553796962535
Energy: 1.1003809548656973
Energy: 1.046655143086124
Energy: 1.082419233415048
Energy: 1.1016870440002517
Energy: 1.0508752629860567
Energy: 1.0440642521009844
Energy: 1.0779660846943264
Energy: 1.0040432992681891
Energy: 1.0443484054046883
Energy: 1.0884632507437213
Energy: 1.0024387324709598

minimum gb energy = 0.8752751429100739 eV
minimum distance =  2.28843576337176 Angstroms
sigma value = 33


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

Energy: 2.001519349709071
Energy: 1.2187022471810522
Energy: 1.2180148927335401
Energy: 1.291779063507823
Energy: 1.2023961076386545
Energy: 1.1892099835588832
Energy: 1.2235839545716403
Energy: 1.2115258889326241
Energy: 1.2088075767966104
Energy: 1.2025367657440436
Energy: 1.2190339529012995
Energy: 1.208184086494604
Energy: 1.2450011544192636
Energy: 1.202973481122238
Energy: 1.2048935075845106
Energy: 1.200946491136872
Energy: 1.1109116229493878
Energy: 1.2047406897819533
Energy: 1.2007873895375256
Energy: 1.205039660869795
Energy: 1.2045114764638374
Energy: 1.1924478885482825
Energy: 1.0915187550744219
Energy: 1.204120838904065
Energy: 1.0946833122478459
Energy: 1.2095087160947173
Energy: 1.208168698967535
Energy: 1.0949207295265762
Energy: 1.1944342741123455
Energy: 1.2081317500666158
Energy: 1.174033154536079
Energy: 1.1909246286572601
Energy: 1.2176952905914662
Energy: 0.9980018996142814
Energy: 1.1922471661639171
Energy: 1.1923743617371263
Energy: 1.0958429439088468
Energy: 1.2126185485208703
Energy: 1.200985553316197
Energy: 1.0954975740827522
Energy: 1.2105531351428414
Energy: 1.112718419429624
Energy: 1.0954616160250021
Energy: 0.9999262787007438
Energy: 1.1141710055637264
Energy: 1.0953711672735764
Energy: 0.9996593407998022
Energy: 1.1129789356832487
Energy: 1.1400430538956727
Energy: 1.1154986935002418
Energy: 1.1763829880740868
Energy: 1.1968290989579211
Energy: 1.0894339790121206
Energy: 1.180560984947282
Energy: 1.1445894050003884
Energy: 0.9998929129161478
Energy: 0.9996903918062389
Energy: 1.145420827863659
Energy: 1.0020352747664714
Energy: 0.9996705157568637
Energy: 1.1411182042372048
Energy: 1.1065947523279065
Energy: 1.168553321026154
Energy: 1.0032165679784009
Energy: 1.1747342086853143
Energy: 1.169746390604151
Energy: 0.9991464111141065
Energy: 1.0712631704731446
Energy: 0.9996997156127155
Energy: 0.9992372391028278
Energy: 1.1551999177130938
Energy: 0.9997802666807108
Energy: 0.9989069827171078
Energy: 1.1758769008540286
Energy: 0.9994462359376749
Energy: 0.9990126043862394
Energy: 1.1787477238813666
Energy: 0.9994789709922293
Energy: 1.1444380167672354
Energy: 1.1781863270031667
Energy: 1.190780780593121
Energy: 0.9720327435553014
Energy: 1.1417269474112848
Energy: 1.183555290621311
Energy: 1.0699683432164542
Energy: 1.1126788402149166
Energy: 1.1125387413827184
Energy: 1.0699540647734957
Energy: 1.0979049111670554
Energy: 1.1124831749909139
Energy: 1.1733375946550875
Energy: 1.1939788833294604
Energy: 1.1934330219327705
Energy: 1.1975480573898034
Energy: 1.0245674115863692
Energy: 1.206714296536327
Energy: 1.2546417829629657
Energy: 1.0251545712754078
Energy: 1.1944893173223476
Energy: 1.2015660802556376
Energy: 1.0243413766207696
Energy: 1.1944498894263362
Energy: 1.3075518432837476
Energy: 1.2091996148142428
Energy: 1.197854216953528
Energy: 1.1982941246112144
Energy: 1.218902968497542
Energy: 1.2118955454456044
Energy: 1.187139836382374
Energy: 1.3025625568897437
Energy: 1.3264522204936662
Energy: 1.024586876683491
Energy: 1.3024200471989575
Energy: 1.1797630201948863
Energy: 1.1598783059030016
Energy: 1.2107333384943155
Energy: 1.2090549072357377
Energy: 1.1603392492773306
Energy: 1.2141374574000914
Energy: 1.2079004921630405
Energy: 1.2466742562095372
Energy: 1.2049120596442977
Energy: 1.2044945327048207
Energy: 1.1903292048582141
Energy: 1.0921308496692272
Energy: 1.204387796017541
Energy: 1.1927179333458526
Energy: 1.202912089875873
Energy: 1.204550276518324
Energy: 1.1850280889165286
Energy: 1.0916039697391617
Energy: 1.2045173507473779
Energy: 1.094910187910265
Energy: 1.2114522863303965
Energy: 1.2081254186407964
Energy: 1.0948713387658118
Energy: 1.2135069830363037
Energy: 1.2083298001586569
Energy: 1.1699944511259657
Energy: 1.2933493522263684
Energy: 1.293344867457294
Energy: 1.1072130173898684
Energy: 1.1917182595911762
Energy: 1.1898257840431488
Energy: 1.1146619072393187
Energy: 1.2098721274069757
Energy: 1.208686348984048
Energy: 1.095467123662633
Energy: 1.2093109816809942
Energy: 1.1113417917837651
Energy: 1.0956345776870913
Energy: 1.1096341307409754
Energy: 1.1135480827803763
Energy: 1.0955403834690696
Energy: 0.9990007324800818
Energy: 1.1128342763769767
Energy: 1.1436303901533877
Energy: 1.1779977008740339
Energy: 1.176257458280183
Energy: 1.1617947658065935
Energy: 1.090764988257845
Energy: 1.1761872203787371
Energy: 1.1405761252449997
Energy: 1.0000086953969152
Energy: 0.9995281380214287
Energy: 1.1426629887669355
Energy: 1.0033258785540813
Energy: 0.9996529747717471
Energy: 1.1416181218889108
Energy: 1.173298989483381
Energy: 1.1685918432860902
Energy: 0.9991834843095241
Energy: 1.092831819180887
Energy: 1.1690739206891316
Energy: 0.9989944779548232
Energy: 1.1683239845031625
Energy: 1.1664730813979525
Energy: 0.9990047901689335
Energy: 1.1548430819416324
Energy: 0.9998395679846945
Energy: 0.9987105660184077
Energy: 1.1762370673838476
Energy: 0.9997083104880204
Energy: 0.9988901787234997
Energy: 1.115293951053539
Energy: 0.9993363310128492
Energy: 1.14655237354324
Energy: 1.1138365380179156
Energy: 1.1776291132302394
Energy: 1.216022331470809
Energy: 1.1418126096249055
Energy: 1.1788853389144334
Energy: 1.069442555116799
Energy: 1.096563386930146
Energy: 1.1130689564337621
Energy: 1.068763407771221
Energy: 1.098340046933553
Energy: 1.1126194774716933
Energy: 1.0870859839032392
Energy: 1.1295689988802908
Energy: 1.2002390269861025
Energy: 1.1061716925845437
Energy: 1.0245929284454847
Energy: 1.2080423470496766
Energy: 1.265006786839213
Energy: 1.0250265108166603
Energy: 1.1952478443837344
Energy: 1.2658107897577027
Energy: 1.1816225267629084
Energy: 1.1958742075556603
Energy: 1.290786178486599
Energy: 1.210562420126233
Energy: 1.1966219321920792
Energy: 1.1986388473166767
Energy: 1.2127069402421773
Energy: 1.2122628782644578
Energy: 1.2322711126449226
Energy: 1.2015700047718747
Energy: 1.2235565331088938
Energy: 1.0237164650303825
Energy: 1.2008218552032799
Energy: 1.181191964952279

minimum gb energy = 0.9720327435553014 eV
minimum distance =  2.26103216278613 Angstroms
sigma value = 41


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

Energy: 1.7929515241351541
Energy: 1.4675162651873461
Energy: 1.4698211138083883
Energy: 1.1556191269348752
Energy: 1.4319147799286474
Energy: 1.473427031979206
Energy: 1.2615950431931604
Energy: 1.3452415960367936
Energy: 1.3467543045863102
Energy: 1.3209195208072753
Energy: 1.3453822590657736
Energy: 1.3425888476341399
Energy: 1.428146996541453
Energy: 1.1989534975490779
Energy: 1.3370001830709546
Energy: 1.3294053220225674
Energy: 1.2121449658171835
Energy: 1.331472865923061
Energy: 1.3267332644369765
Energy: 1.2858410284915691
Energy: 1.2775459154643665
Energy: 1.3286022667102404
Energy: 1.1981340431425644
Energy: 1.3404702368436294
Energy: 1.2032941023589379
Energy: 1.3458762535160733
Energy: 1.349927274107805
Energy: 1.2039718368396968
Energy: 1.3453177539684027
Energy: 1.28822308194439
Energy: 1.3593165014218516
Energy: 1.386713394885078
Energy: 1.3848572051225263
Energy: 1.2264532305036568
Energy: 1.3816309408052374
Energy: 1.2865587342918852
Energy: 1.2000434688102408
Energy: 1.3431094439185627
Energy: 1.1735507888924501
Energy: 1.2134156944259018
Energy: 1.3422532577015678
Energy: 1.2209266056279766
Energy: 1.2017919279373994
Energy: 1.1648049983574238
Energy: 1.2207652901647255
Energy: 1.2019279619690968
Energy: 1.2223247448955286
Energy: 1.200659245935949
Energy: 1.2863972207751917
Energy: 1.2234849515615225
Energy: 1.2247726676157467
Energy: 1.2962641372121784
Energy: 1.2563052090472726
Energy: 1.2218465179131321
Energy: 1.3386112119470377
Energy: 1.2183674286651263
Energy: 1.2157499897734512
Energy: 1.236168229580882
Energy: 1.215325430731727
Energy: 1.1618433788944433
Energy: 1.352022516945273
Energy: 1.2156005327138582
Energy: 1.320221110995315
Energy: 1.3577383970298467
Energy: 1.1355021776522471
Energy: 1.3522009074765684
Energy: 1.4256172354307133
Energy: 1.1344989811603092
Energy: 1.3050015327362796
Energy: 1.424925919253747
Energy: 1.133594078636404
Energy: 1.283777397995181
Energy: 1.4298642895763432
Energy: 1.3457592820063564
Energy: 1.3195536960212837
Energy: 1.3363589024977243
Energy: 1.338941228923453
Energy: 1.3517781878756718
Energy: 1.4088237101791488
Energy: 1.3310414041157062
Energy: 1.3812316303109267
Energy: 1.1328975276235578
Energy: 1.3264433908261546
Energy: 1.3568225885619327

minimum gb energy = 1.1328975276235578 eV
minimum distance =  2.27412327245279 Angstroms
sigma value = 11


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

Energy: 2.209839753637569
Energy: 1.659570164226849
Energy: 1.6464874963934277
Energy: 1.5025785217249568
Energy: 1.4938942918601794
Energy: 1.517917129769644
Energy: 1.5536822008248183
Energy: 1.3536228330537914
Energy: 1.3557929051371254
Energy: 1.4340207581973963
Energy: 1.3458188996293234
Energy: 1.3668149108902348
Energy: 1.6243327592521792
Energy: 1.3556286497411252
Energy: 1.3574402695386125
Energy: 1.6247518394569458
Energy: 1.3414670909348516
Energy: 1.3595028185606495
Energy: 1.4395229073563502
Energy: 1.3448652897064064
Energy: 1.3621065696261438
Energy: 1.4538417393671095
Energy: 1.3276769127814112
Energy: 1.3754766905744393
Energy: 1.4371356912479392
Energy: 1.3678594868596408
Energy: 1.368229537740122
Energy: 1.4313180475465328
Energy: 1.3577451005797574
Energy: 1.3657845059777702
Energy: 1.4310278418215738
Energy: 1.4185888417247714
Energy: 1.381816209489054
Energy: 1.362043166688769
Energy: 1.418256778020275
Energy: 1.3803869210756656
Energy: 1.4115135873450346
Energy: 1.3655665383459379
Energy: 1.3902586817849065
Energy: 1.4155452119791707
Energy: 1.3646541683960507
Energy: 1.4181121408571118
Energy: 1.3721532256739444
Energy: 1.377911735336934
Energy: 1.3697467139854531
Energy: 1.348683832859217
Energy: 1.436587721841022
Energy: 1.3662317061023113
Energy: 1.3340313207345458
Energy: 1.4612609601775524
Energy: 1.423066534781904
Energy: 1.3346123909686394
Energy: 1.460608514281544
Energy: 1.341956993688621
Energy: 1.3333537322610283
Energy: 1.4555257613702
Energy: 1.4096998445806928
Energy: 1.3395071424857647
Energy: 1.5849888111198822
Energy: 1.3418838901534742
Energy: 1.3624209520371893
Energy: 1.374885151057766
Energy: 1.3669196421977599
Energy: 1.346082528775165
Energy: 1.3712997107542344
Energy: 1.3664360566984124
Energy: 1.3958549991316567
Energy: 1.3515721253403445
Energy: 1.4268749239408456
Energy: 1.390295270598653
Energy: 1.3523614643454689
Energy: 1.4346835469381172
Energy: 1.3289539784751727
Energy: 1.4352568641902168
Energy: 1.4291873931598893
Energy: 1.3302055530027024
Energy: 1.433521703892289
Energy: 1.3588821141941891
Energy: 1.3812753424738553
Energy: 1.5760125757588652
Energy: 1.4086132328983085
Energy: 1.3494029344888196
Energy: 1.6261672313605067
Energy: 1.372187268807244
Energy: 1.3216244519112161
Energy: 1.4400326511079757
Energy: 1.3919145060093676
Energy: 1.3218280319106814
Energy: 1.4320393282984376
Energy: 1.3476061704449733
Energy: 1.3123806911071159
Energy: 1.3387506947668355
Energy: 1.3384702466915916
Energy: 1.313999631094907
Energy: 1.3549004205986297
Energy: 1.3385959808633818
Energy: 1.344130744200206
Energy: 1.3927078000555497
Energy: 1.3579470899093424
Energy: 1.3407665992509445
Energy: 1.3965572454508186
Energy: 1.3748691771387493
Energy: 1.750945184876286
Energy: 1.4876754188876191
Energy: 1.4875926359500424
Energy: 1.3654066520950718
Energy: 1.4958202290488558
Energy: 1.3992573335068073
Energy: 1.3698606406932705
Energy: 1.392682760785817
Energy: 1.3609058282574664
Energy: 1.3715937482684346
Energy: 1.4020181297142942
Energy: 1.3737705379608292
Energy: 1.4436229988298308
Energy: 1.3342882845783812
Energy: 1.3355969522989601
Energy: 1.411287395973029
Energy: 1.3335741913821044
Energy: 1.3743702404879605
Energy: 1.4768673160663177
Energy: 1.3398604163501133
Energy: 1.3697228415271347
Energy: 1.4787505394606242
Energy: 1.3158617181473826
Energy: 1.3798876513247638
Energy: 1.366353914826142
Energy: 1.4156260372099607
Energy: 1.3683671257605436
Energy: 1.3316635123038127
Energy: 1.4118210757017244
Energy: 1.3809347737363986
Energy: 1.3793185470668086
Energy: 1.4109842921469011
Energy: 1.416088994659933
Energy: 1.3119893466187396
Energy: 1.4168497758110237
Energy: 1.359548296231143
Energy: 1.4887721086051524
Energy: 1.3786884467723461
Energy: 1.3781905499341551
Energy: 1.3739828252385644
Energy: 1.371469907985096
Energy: 1.3587656191523674
Energy: 1.507224720827302
Energy: 1.3750065211266107
Energy: 1.38102598464998
Energy: 1.5071392371813432
Energy: 1.3647711681004044
Energy: 1.4628094063782928
Energy: 1.4375986229689965
Energy: 1.3517343161157407
Energy: 1.37484909671339
Energy: 1.39466853438938
Energy: 1.3407386778261228
Energy: 1.361964296861893
Energy: 1.4276859748645536
Energy: 1.3398558130726657
Energy: 1.338107866330596
Energy: 1.4393521372664257
Energy: 1.3227637976632411
Energy: 1.3379389073952883
Energy: 1.4442956376668055
Energy: 1.3349171833844535
Energy: 1.4072544889344505
Energy: 1.437079008638773
Energy: 1.3274196597172607
Energy: 1.3481716177051903
Energy: 1.6086995050217616
Energy: 1.3670462913684946
Energy: 1.3695595945925014
Energy: 1.6086519237178112
Energy: 1.365200257009784
Energy: 1.410461912189331
Energy: 1.6340594329845648
Energy: 1.3477877954327138
Energy: 1.3544511656499174
Energy: 1.4334584463786368
Energy: 1.330694418820958
Energy: 1.4446853941691475
Energy: 1.4036507570802184
Energy: 1.3844320528570904
Energy: 1.3871075941223223
Energy: 1.3315460211535355
Energy: 1.383118089261472
Energy: 1.3589910954317381

minimum gb energy = 1.3119893466187396 eV
minimum distance =  2.25372018301211 Angstroms
sigma value = 57


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

Energy: 1.9793149250867599
Energy: 1.3703180506986272
Energy: 1.369523166308034
Energy: 1.6713867675440826
Energy: 2.0270651706072793
Energy: 1.3693494796670893
Energy: 1.3777561675191434
Energy: 1.361325728085562
Energy: 1.3174183962315063
Energy: 1.3880041650083046
Energy: 1.3629548980664803
Energy: 1.3199598956057206
Energy: 1.4665461030685694
Energy: 1.3064609179146036
Energy: 1.3061686460152468
Energy: 1.467844739318989
Energy: 1.3064761329914545
Energy: 1.3174312545697398
Energy: 1.3899290476513808
Energy: 1.342368429176824
Energy: 1.3189150816581359
Energy: 1.3185509043802162
Energy: 1.3412460597414755
Energy: 1.3193090206533864
Energy: 1.3898473525217947
Energy: 1.3196833133116002
Energy: 1.3183526936911363
Energy: 1.357437903166979
Energy: 1.4694947382356622
Energy: 1.3185810214021625
Energy: 1.4296492029103176
Energy: 1.3857736494905888
Energy: 1.3546446427636187
Energy: 1.3593715631245662
Energy: 1.386493011133441
Energy: 1.319180386423395
Energy: 1.4804652065652266
Energy: 1.3627244937954412
Energy: 1.3634869289681293
Energy: 1.3555121154478182
Energy: 1.36373895925288
Energy: 1.3558315110045764
Energy: 1.46617511575249
Energy: 1.3563935728395486
Energy: 1.3205338113520426
Energy: 1.4789527790014605
Energy: 1.3865232422270823
Energy: 1.3193487560809503
Energy: 1.2812627651986572
Energy: 1.3183585892976768
Energy: 1.297679427958339
Energy: 1.296120181292147
Energy: 1.3176592860911305
Energy: 1.2962766789581286
Energy: 1.2823633839552218
Energy: 1.316954761435004
Energy: 1.2970307172999087
Energy: 1.3145128555146444
Energy: 1.4676417541620048
Energy: 1.2963014974795852
Energy: 1.5019736877695367
Energy: 1.3559548002264388
Energy: 1.320085231439574
Energy: 1.504855898908598
Energy: 1.3869360793631405
Energy: 1.3202401242681787
Energy: 1.4282969618799743
Energy: 1.344396093532359
Energy: 1.3449902180569067
Energy: 1.3193934532281721
Energy: 1.3437805857654026
Energy: 1.3152757048993233
Energy: 1.3897829875063712
Energy: 1.3629522702687409
Energy: 1.3177128267235176
Energy: 1.3857747048525788
Energy: 1.3865055654661589
Energy: 1.3430204545458502
Energy: 1.429018650667966
Energy: 1.4592457069383467
Energy: 1.3181981778468181
Energy: 1.3570395800415067
Energy: 1.4476867949019574
Energy: 1.3176189566627254
Energy: 1.3933162472527272
Energy: 1.2968351566772687
Energy: 1.3189045508160602
Energy: 1.3529163504233792
Energy: 1.2970280936098553
Energy: 1.318343270023727
Energy: 1.466519751429853
Energy: 1.2964819876133602
Energy: 1.2960624757543908
Energy: 1.4682907217292822
Energy: 1.3409208086258302
Energy: 1.3200731277525612
Energy: 1.3779860757498745
Energy: 1.3614802532047228
Energy: 1.3171264625966703
Energy: 1.2926688141785487
Energy: 1.38734070115103
Energy: 1.3189222351193546

minimum gb energy = 1.2812627651986572 eV
minimum distance =  2.29984472443488 Angstroms
sigma value = 9


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

Energy: 2.3141911754513633
Energy: 1.5540748846950034
Energy: 1.4895236599166741
Energy: 1.456540755665973
Energy: 1.4786575360761338
Energy: 1.4504700817932834
Energy: 1.5494918830980173
Energy: 1.4597459681996203
Energy: 1.4653736886633228
Energy: 1.4051355799346792
Energy: 1.4541082643697685
Energy: 1.4208464385950386
Energy: 1.562406540894409
Energy: 1.424999547991357
Energy: 1.4433818371884304
Energy: 1.5629257768608933
Energy: 1.4276641655110605
Energy: 1.444048597244495
Energy: 1.4511237150286007
Energy: 1.4100396663128074
Energy: 1.4044799822690697
Energy: 1.4338132726845376
Energy: 1.4150314091553393
Energy: 1.4040889081083672
Energy: 1.4874798953649484
Energy: 1.449461822799545
Energy: 1.4071043430843944
Energy: 1.4510803161538113
Energy: 1.4699855010601155
Energy: 1.4156653510567698
Energy: 1.4464571530302957
Energy: 1.4047012063276252
Energy: 1.406054324005592
Energy: 1.4183200271714225
Energy: 1.4065113475522633
Energy: 1.3978561554695095
Energy: 1.4319497907317016
Energy: 1.3901373963763815
Energy: 1.456784923685958
Energy: 1.4294480366381546
Energy: 1.4070581338078179
Energy: 1.4203177505571427
Energy: 1.4892657755570322
Energy: 1.4181088274554061
Energy: 1.4083671703345717
Energy: 1.4895784948667348
Energy: 1.406695544969267
Energy: 1.4042341472978612
Energy: 1.4953407946061092
Energy: 1.4139696287962242
Energy: 1.412323651837618
Energy: 1.4149824809470637
Energy: 1.4907861339306017
Energy: 1.4638134656522903
Energy: 1.5628891487215888
Energy: 1.41300802582686
Energy: 1.414082933745484
Energy: 1.4011164974899921
Energy: 1.41390154203264
Energy: 1.4120519171422767
Energy: 1.4895993736659767
Energy: 1.4005784059824034
Energy: 1.3956997278785495
Energy: 1.488373227063037
Energy: 1.4185512890911491
Energy: 1.3968769012186624
Energy: 1.469703389195165
Energy: 1.4270702010111016
Energy: 1.4153835275412097
Energy: 1.468387488393034
Energy: 1.4532095211364084
Energy: 1.4507244226367613
Energy: 1.6712192276514555
Energy: 1.4314710233710792
Energy: 1.4334632826633822
Energy: 1.4180135398763498
Energy: 1.4317312085056493
Energy: 1.4601361152240637
Energy: 1.5139987598415787
Energy: 1.4067104300083562
Energy: 1.4046828145688952
Energy: 1.406028686850948
Energy: 1.5707202587446103
Energy: 1.4054618794988023
Energy: 1.478001338479748
Energy: 1.395468509060866
Energy: 1.4029227773060022
Energy: 1.4791656291232658
Energy: 1.3980944248582972
Energy: 1.4423913518436058
Energy: 1.4545250226757027
Energy: 1.4478369734694365
Energy: 1.4286385424701442
Energy: 1.43635337959965
Energy: 1.4184092655524918
Energy: 1.4098846365574251
Energy: 1.464504763926318
Energy: 1.4069932230695925
Energy: 1.4043344320440956
Energy: 1.457945981844674
Energy: 1.4046958258346187
Energy: 1.402613625669321
Energy: 1.635160371180162
Energy: 1.4696516878240662
Energy: 1.4682263105779616
Energy: 1.448387841041226
Energy: 1.5313914744735446
Energy: 1.4165438342536318
Energy: 1.5384904619405018
Energy: 1.4054533333993797
Energy: 1.4348191877771574
Energy: 1.4673564946869393
Energy: 1.402246673651768
Energy: 1.4455995905472396
Energy: 1.5630466030426036
Energy: 1.4083190524844706
Energy: 1.4353146700214359
Energy: 1.5635510023577133
Energy: 1.416585190727283
Energy: 1.4337004897447816
Energy: 1.4797740659669585
Energy: 1.4578837914489473
Energy: 1.4621326832010668
Energy: 1.4041522908381445
Energy: 1.4549089495160186
Energy: 1.4227725710083

minimum gb energy = 1.3901373963763815 eV
minimum distance =  2.2536543972258 Angstroms
sigma value = 27


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

Energy: 1.6177922372255935
Energy: 1.4846998213388705
Energy: 1.5025091877842374
Energy: 1.503522584828763
Energy: 1.9959664161528885
Energy: 1.5030743093853864
Energy: 1.4923117331806255
Energy: 1.495147772555732
Energy: 1.4950729265270108
Energy: 1.4580360960299417
Energy: 1.4987693277800884
Energy: 1.4146467486893535
Energy: 1.4672051178739047
Energy: 1.4253915179857763
Energy: 1.4244803100218546
Energy: 1.4685951166958595
Energy: 1.412496328171995
Energy: 1.4102517369697212
Energy: 1.4479176659708206
Energy: 1.4119742724173894
Energy: 1.412982436964404
Energy: 1.445475458578112
Energy: 1.41515239274119
Energy: 1.411855128956483
Energy: 1.4996950104128568
Energy: 1.4672600394283652
Energy: 1.4177391375341273
Energy: 1.4228888859030315
Energy: 1.503170485189628
Energy: 1.4345220511258403
Energy: 1.4682801202793174
Energy: 1.417218331051032
Energy: 1.4068448116133654
Energy: 1.4503801770389877
Energy: 1.4178843116539555
Energy: 1.4118524320065768
Energy: 1.448093358264202
Energy: 1.3538755156021653
Energy: 1.3504357963068785
Energy: 1.4497577886589281
Energy: 1.3544060039357335
Energy: 1.3500444222409569
Energy: 1.4426009499074275
Energy: 1.3566165538379915
Energy: 1.4232377873514943
Energy: 1.4402462727115213
Energy: 1.4272531499943293
Energy: 1.4166991264458264
Energy: 1.6411960534793923
Energy: 1.419733396130346
Energy: 1.4204431835159228
Energy: 1.4145179244436354
Energy: 1.4209693638312575
Energy: 1.419838690888342
Energy: 1.6517334114293938
Energy: 1.4132753792306172
Energy: 1.4195110918833835
Energy: 1.4146602211878432
Energy: 1.4122741031976354
Energy: 1.415706967090338
Energy: 1.4308623237692686
Energy: 1.421811996874857
Energy: 1.421961260908642
Energy: 1.4302318085950405
Energy: 1.4444200293770122
Energy: 1.4125730776252887
Energy: 1.4241025261252627
Energy: 1.4238914150039765
Energy: 1.4232258278370804
Energy: 1.4399222126045592
Energy: 1.425024773236398
Energy: 1.4261034369845036
Energy: 1.386458774091764
Energy: 1.4687718427677705
Energy: 1.3716042354827669
Energy: 1.3497103580184386
Energy: 1.4795558644682296
Energy: 1.3483144418669513
Energy: 1.4838640453874858
Energy: 1.4401657451893102
Energy: 1.4388095961087468
Energy: 1.4246769196360685
Energy: 1.4753509501838153
Energy: 1.3530528007961333
Energy: 1.4336426318163422
Energy: 1.4242922664750763
Energy: 1.4288515204117385
Energy: 1.4159698109476555
Energy: 1.4296495943883276
Energy: 1.432405224577313
Energy: 1.4881541363284028
Energy: 1.4134419202366
Energy: 1.4404385025891526
Energy: 1.4346683767706578
Energy: 1.410820224156422
Energy: 1.4396202411777623
Energy: 1.49938131685056
Energy: 1.4610608108269019
Energy: 1.4504303272021637
Energy: 1.4998474657527927
Energy: 1.528764255792978
Energy: 1.4518022797405092
Energy: 1.5010782881413705
Energy: 1.4048147984970927
Energy: 1.4131446406592982
Energy: 1.400889174111192
Energy: 1.4217104134528142
Energy: 1.4065007290723754
Energy: 1.4277267012358195
Energy: 1.3818893435949167
Energy: 1.3712196019223144
Energy: 1.4355510269026404
Energy: 1.350159996721783
Energy: 1.3590132940903954
Energy: 1.4511984240022011
Energy: 1.3616737080210093
Energy: 1.3626442534200227
Energy: 1.4519757298060503
Energy: 1.3488756326673106
Energy: 1.359406956031908
Energy: 1.6219066304754377
Energy: 1.4048862211940922
Energy: 1.4066762062034637
Energy: 1.4095056095027239
Energy: 1.420195233144597
Energy: 1.412829039190405
Energy: 1.4533258338170374
Energy: 1.4918572845666118
Energy: 1.4903500858606562
Energy: 1.4552438273044934
Energy: 1.5301074314480667
Energy: 1.4928751527034423
Energy: 1.4976249494816927
Energy: 1.416521376986347
Energy: 1.4372494573127652
Energy: 1.4976092283624076
Energy: 1.4136862811749589
Energy: 1.4354845737914743
Energy: 1.474984338082594
Energy: 1.4009240745781326
Energy: 1.400643334099106
Energy: 1.480026652607852
Energy: 1.4181636093564647
Energy: 1.4114991870039963
Energy: 1.4485063303967813
Energy: 1.4612329272351252
Energy: 1.4671554109643783
Energy: 1.417622568303987
Energy: 1.4687216791671833
Energy: 1.3948235779483804

minimum gb energy = 1.3483144418669513 eV
minimum distance =  2.26625503420425 Angstroms
sigma value = 19


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

Energy: 2.219904227832916
Energy: 1.8170145500346746
Energy: 1.4048511109456574
Energy: 1.7436516833092297
Energy: 1.6238191531318353
Energy: 1.3740275575509227
Energy: 1.515815311540268
Energy: 1.4074241669510763
Energy: 1.4047386689063164
Energy: 1.3922893509024752
Energy: 1.4180637460522634
Energy: 1.3900270331461335
Energy: 1.465196314971967
Energy: 1.3910165780079533
Energy: 1.3884325007026521
Energy: 1.4631852955979887
Energy: 1.389009429787632
Energy: 1.3883898936872607
Energy: 1.4341103443708234
Energy: 1.3903325124345123
Energy: 1.390737601837043
Energy: 1.407636866945299
Energy: 1.3905479100620586
Energy: 1.3900427405387794
Energy: 1.4142706803601781
Energy: 1.4122918088051772
Energy: 1.4187767155259179
Energy: 1.3997634491648006
Energy: 1.4739566287942107
Energy: 1.3920424185038438
Energy: 1.4862592055544996
Energy: 1.3898882121979372
Energy: 1.3903971629993814
Energy: 1.4898572037229636
Energy: 1.3902512790488297
Energy: 1.3914461414123158
Energy: 1.537086822378314
Energy: 1.401279109020921
Energy: 1.4014858182402696
Energy: 1.537339857148404
Energy: 1.3938311688061973
Energy: 1.518363787985946
Energy: 1.4197293243787574
Energy: 1.3734734866946783
Energy: 1.3956083318814758
Energy: 1.4138878073817696
Energy: 1.3730398981674181
Energy: 1.4090462636905545
Energy: 1.411408160277604
Energy: 1.3980582698829132
Energy: 1.3982209753733676
Energy: 1.3886930079309943
Energy: 1.4013905751995086
Energy: 1.3993757729264034
Energy: 1.4587116235553943
Energy: 1.3824423162563633
Energy: 1.3793448326409408
Energy: 1.4103403994139985
Energy: 1.381431639322145
Energy: 1.3753293065486956
Energy: 1.5013120307377668
Energy: 1.3718305000370214
Energy: 1.3746560778637233
Energy: 1.502335266422733
Energy: 1.3718176098278907
Energy: 1.3988923437756622
Energy: 1.493765663707763
Energy: 1.374912325562084
Energy: 1.3765869786307314
Energy: 1.4647356229044646
Energy: 1.4263164510248454
Energy: 1.3749002231079839
Energy: 1.4776944496040985
Energy: 1.3955609695375235
Energy: 1.3600670523392777
Energy: 1.3889108112389035
Energy: 1.420794291736061
Energy: 1.3601660397127526
Energy: 1.458465514424574
Energy: 1.3809274212160383
Energy: 1.3806995984317336
Energy: 1.3760173598539456
Energy: 1.3966239953006596
Energy: 1.381224943127039
Energy: 1.504420308542832
Energy: 1.374542411006605
Energy: 1.3740158172356718
Energy: 1.4272695220253577
Energy: 1.3717431497186543
Energy: 1.3982126900161083
Energy: 1.4537925254403568
Energy: 1.3758115632293466
Energy: 1.3718604639318288
Energy: 1.4172297967437484
Energy: 1.3730329377214363
Energy: 1.3610940469002362
Energy: 1.4514641015677672
Energy: 1.3931550441639962
Energy: 1.403569851296179
Energy: 1.3698286827885386
Energy: 1.383604702395657
Energy: 1.4224570360845665
Energy: 1.4795298069947207
Energy: 1.3619721863072158
Energy: 1.3619203315247839
Energy: 1.4240482321521795
Energy: 1.4318965904417198
Energy: 1.3607133937061826
Energy: 1.4521941915347463
Energy: 1.3918928039307015
Energy: 1.425143186860634
Energy: 1.4509619132171876
Energy: 1.414342621916699
Energy: 1.3716847409126922
Energy: 1.4442100543989091
Energy: 1.3846408703194557
Energy: 1.3735876181514055
Energy: 1.391275817325105
Energy: 1.4083393815515914
Energy: 1.3610585358709015
Energy: 1.395159129302764
Energy: 1.3614464200624887
Energy: 1.3804987281327585
Energy: 1.3952527970179727
Energy: 1.3757057655794034
Energy: 1.3814913571908722
Energy: 1.4187966251410495
Energy: 1.3748352440111895
Energy: 1.37679710225994
Energy: 1.4217688029041822
Energy: 1.3802825507107985
Energy: 1.3839925851313892
Energy: 1.4576487972608874
Energy: 1.4547399806488548
Energy: 1.3598412643284281
Energy: 1.38724608335938
Energy: 1.4037304304577327
Energy: 1.3613767690839012
Energy: 1.420872794684457
Energy: 1.3630682784254826
Energy: 1.3617433979243223
Energy: 1.420620244717051
Energy: 1.3908048123228536
Energy: 1.3614569181722556
Energy: 1.482671715774694
Energy: 1.3862130884767003
Energy: 1.398678727222932
Energy: 1.4601482042890035
Energy: 1.4375752982054724
Energy: 1.3987010688607364
Energy: 1.4348329351916966
Energy: 1.4008427607638696
Energy: 1.4000536900629332
Energy: 1.385149907350951
Energy: 1.4041259275162048
Energy: 1.4121056349787766
Energy: 1.4204464157662657
Energy: 1.40015104178824
Energy: 1.3972498319393747
Energy: 1.3989718513723088
Energy: 1.3896890804870954
Energy: 1.399450336231613
Energy: 1.459069147165326
Energy: 1.4045020831314465
Energy: 1.4046539790118713
Energy: 1.433117017678126
Energy: 1.3883356170777665
Energy: 1.4021731400078608
Energy: 1.4998677382974321
Energy: 1.4737078555301195
Energy: 1.4739437756703015
Energy: 1.3888153965245076
Energy: 1.4720659797189786
Energy: 1.3605705250252524

minimum gb energy = 1.3598412643284281 eV
minimum distance =  2.26189363239539 Angstroms
sigma value = 101


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

Energy: 2.0140026580498573
Energy: 1.3731647908328553
Energy: 1.3814231264427845
Energy: 1.3072105782426287
Energy: 2.020313129993893
Energy: 1.3063273527729453
Energy: 1.4127555117185215
Energy: 1.3519218422785007
Energy: 1.3312301081230313
Energy: 1.3784381699874901
Energy: 1.3696935520294249
Energy: 1.3308635587839446
Energy: 1.4435436336906815
Energy: 1.3263991314422647
Energy: 1.327974807964012
Energy: 1.4364649280222934
Energy: 1.3255134000561355
Energy: 1.327428818811535
Energy: 1.409136155867668
Energy: 1.3356688554618845
Energy: 1.3317159087256232
Energy: 1.3510454871482056
Energy: 1.3323480005105006
Energy: 1.3308537941311436
Energy: 1.3397109214204224
Energy: 1.442910588080494
Energy: 1.3630423896649848
Energy: 1.341088119209029
Energy: 1.4380762951038315
Energy: 1.3438172213642772
Energy: 1.4020669306278553
Energy: 1.3315315182965852
Energy: 1.3335111381343074
Energy: 1.400676564050789
Energy: 1.3320128693113307
Energy: 1.332897652786407
Energy: 1.4334881450960602
Energy: 1.3323237418337228
Energy: 1.3338493325955456
Energy: 1.4325457261187236
Energy: 1.333232872025862
Energy: 1.3536572920567862
Energy: 1.3896500981526212
Energy: 1.331174224959889
Energy: 1.3309082579361273
Energy: 1.4020405448683062
Energy: 1.3292506317837924
Energy: 1.3403447944078666
Energy: 1.3228796372388463
Energy: 1.36284748511788
Energy: 1.3266089662053482
Energy: 1.3256686585251112
Energy: 1.3500556760456697
Energy: 1.3251796151385278
Energy: 1.3658159390554985
Energy: 1.3381356554188109
Energy: 1.3307891033157282
Energy: 1.3232663445753083
Energy: 1.3363099680471826
Energy: 1.3301811735334292
Energy: 1.5693547445328426
Energy: 1.3070570168089148
Energy: 1.3045304988292408
Energy: 1.5682168223045054
Energy: 1.304750200328977
Energy: 1.3036226479934638
Energy: 1.4137697221855288
Energy: 1.3308652316992018
Energy: 1.3332353035759459
Energy: 1.4149785465583435
Energy: 1.3632114370548427
Energy: 1.3364729807181093
Energy: 1.3785217981834001
Energy: 1.3575034995184334
Energy: 1.374824180660134
Energy: 1.3219711843044089
Energy: 1.4131755502116528
Energy: 1.3716521626153257
Energy: 1.387433656643236
Energy: 1.3533601730452163
Energy: 1.3360332968344033
Energy: 1.3680490206751734
Energy: 1.3594419207212556
Energy: 1.3361735088498752
Energy: 1.4620037055259762
Energy: 1.3315051824706172
Energy: 1.3525988335158599
Energy: 1.4020839832851357
Energy: 1.331613518829409
Energy: 1.3565293594102457
Energy: 1.443685546366261
Energy: 1.3303673980724926
Energy: 1.3324100400382177
Energy: 1.3742128797517472
Energy: 1.385640347309883
Energy: 1.3316386231554689
Energy: 1.715887727080619
Energy: 1.4228934789547492
Energy: 1.3518219448456854
Energy: 1.301365045400495
Energy: 1.4231282179460594
Energy: 1.3004459324507578
Energy: 1.4106958538731265
Energy: 1.3504420397861732
Energy: 1.3504582600416326
Energy: 1.3622662612527376
Energy: 1.3709919681867937
Energy: 1.3356668631584818
Energy: 1.4461104104164757
Energy: 1.3733119964404523
Energy: 1.3817356168977408
Energy: 1.4369920867884438
Energy: 1.3731794422048553
Energy: 1.3819280791398416
Energy: 1.4161881897822028
Energy: 1.3543053720424993
Energy: 1.3418045978253588
Energy: 1.350466013971976
Energy: 1.381308875778831
Energy: 1.3428225273552272
Energy: 1.34116613265841
Energy: 1.3505428626644862
Energy: 1.3670326547132103
Energy: 1.3406494069518582
Energy: 1.352054462864017
Energy: 1.3752284032941102
Energy: 1.4086283491885687
Energy: 1.334374917203953
Energy: 1.332850201706117
Energy: 1.3918984025752166
Energy: 1.39879462768116
Energy: 1.3509586131935063
Energy: 1.4328165245073525
Energy: 1.3705633774601593
Energy: 1.368416409321085
Energy: 1.432914574374283
Energy: 1.3348707798860295
Energy: 1.335057408192521
Energy: 1.4647688959445488
Energy: 1.328966504105811
Energy: 1.328767777238981
Energy: 1.3974260612989704
Energy: 1.3464123882281376
Energy: 1.3506671792813643
Energy: 1.3675140830443633
Energy: 1.3321378033976885
Energy: 1.3316388431040382
Energy: 1.3633177138798753
Energy: 1.3703099061343478
Energy: 1.3439509088547987
Energy: 1.3216819300508502
Energy: 1.3394262090258062
Energy: 1.338363311484365
Energy: 1.3231964423819467
Energy: 1.336125710310619
Energy: 1.3557196965572833
Energy: 1.4653348739442522
Energy: 1.3764683449224397
Energy: 1.3765902532944154
Energy: 1.3524215800555115
Energy: 1.3564863669622225
Energy: 1.3293491748396924
Energy: 1.4140344449087368
Energy: 1.356583963137655
Energy: 1.357118510585822
Energy: 1.4156103828720827
Energy: 1.3301499537390642
Energy: 1.3362067402150692
Energy: 1.4036366054749667
Energy: 1.3516204159113776
Energy: 1.3639086358599068
Energy: 1.3711412020651836
Energy: 1.4129887550009028
Energy: 1.3635561045906188
Energy: 1.4038106566895074
Energy: 1.3511468719235518
Energy: 1.3505598967574723
Energy: 1.372168759909923
Energy: 1.351911799023923
Energy: 1.3635706030706296
Energy: 1.41397609170873
Energy: 1.3555842093969654
Energy: 1.3558033665669256
Energy: 1.3653406238117487
Energy: 1.3305720420190665
Energy: 1.3361748639431679
Energy: 1.4619939283462848
Energy: 1.3307390795254281
Energy: 1.331392451708473
Energy: 1.4100330141567625
Energy: 1.3251691788772204
Energy: 1.334484564963859
Energy: 1.4080879516192526
Energy: 1.3513620150220997
Energy: 1.3401275046813248
Energy: 1.388425298407642
Energy: 1.4078534819673376
Energy: 1.3399254596477732

minimum gb energy = 1.3004459324507578 eV
minimum distance =  2.27106549290089 Angstroms
sigma value = 33


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

Energy: 0.02046603111477888
Energy: 0.023609372471475064
Energy: 0.021236830217795516
Energy: 0.023225563324214892
Energy: 1.084699996183863
Energy: 0.021004869073268963
Energy: 0.02139255670127158
Energy: 0.15719719763799828
Energy: 0.1553374652253629
Energy: 0.15518224170163067
Energy: 0.15523034072600758
Energy: 0.15533087315220276
Energy: 1.609438080443556
Energy: 1.0859614410417555
Energy: 1.0847066456385328
Energy: 1.6128275855582985
Energy: 1.0833691125808604
Energy: 1.0830567572948475
Energy: 0.6835246067749973
Energy: 0.15719719763846565
Energy: 0.1553374652244281
Energy: 0.1551822417020981
Energy: 0.15523034072600758
Energy: 0.15533087315267016

minimum gb energy = 0.02046603111477888 eV
minimum distance =  2.45880009715446 Angstroms
sigma value = 1