Model name: model_name=MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_001
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657340407371
cohesive_energy=4.290337440834252
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 2.4558483881278797e-19, 2.90855941783092e-19, 3.2776528490055e-19, 3.5962136291437197e-19, 4.79688479866332e-19, 5.086766617052939e-19, 5.34122431006482e-19, 5.56616990947842e-19, 5.765528748047039e-19, 5.94229689607626e-19, 6.09886159675074e-19, 6.23712944026494e-19, 6.35868658148652e-19, 6.4648628270216995e-19, 6.55679572228062e-19, 6.63543055147734e-19, 6.70161646822788e-19, 6.756106495550219e-19, 6.799525482331619e-19, 6.83246623392666e-19, 6.85544144685822e-19, 6.8689317741165e-19, 6.87333775986e-19, 6.868579295257019e-19, 6.85311829073892e-19, 6.82496804727954e-19, 6.78172529992788e-19, 6.7204901089764e-19, 6.63780177289566e-19, 6.52939850183922e-19, 6.39015333057828e-19, 6.213721639642199e-19, 5.992284807057059e-19, 5.716085577121799e-19, 5.37293138565168e-19, 4.94750542402566e-19, 4.4202451155426e-19, 3.7653714381614393e-19, 2.95007181441786e-19, 1.9309593010631396e-19, 6.49823616630792e-20, -9.72234427220514e-20, -3.0442157134317e-19, -5.71948219158588e-19, -9.21913263499842e-19, -1.3869658598145839e-18, -2.01685199041188e-18, -2.8901183647735795e-18, -4.13624328539976e-18, -5.9802043952366996e-18, -8.83983333866526e-18, -1.3560662812512598e-17, -2.2064695950457802e-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: 0.013185072276445477
Energy: 0.013562665014335692
Energy: 0.22629334271462762
Energy: 0.22609882299732387
Energy: 0.22613353520332702
Energy: 0.013246445151321753
Energy: 0.013562665014335692
Energy: 1.2515724496403602
Energy: 0.22623793387949045
Energy: 0.2261763619613703
Energy: 0.22619706882568225
Energy: 0.2261823440474049
Energy: 0.22629334271462762
Energy: 0.22623793387949045
Energy: 1.2509816187308738
Energy: 0.013470104851354525
Energy: 0.2262161766337314
Energy: 0.22646876014765152
Energy: 0.22609882299732387
Energy: 0.2261763619613703
Energy: 0.013470104851354525
Energy: 0.013333093550065381
Energy: 0.22664023117661522
Energy: 0.2262209101434739
Energy: 0.22613353520332702
Energy: 0.22619706882518248
Energy: 0.2262161766337314
Energy: 0.22664023117661522
Energy: 1.2723293524193517
Energy: 0.22613627655576293
Energy: 0.013246445151321753
Energy: 0.2261823440474049
Energy: 0.22646876014765152
Energy: 0.2262209101434739
Energy: 0.22613627655576293
Energy: 0.01334932603405355

minimum gb energy = 0.013185072276445477 eV
minimum distance =  2.47893351572838 Angstroms
sigma value = 1


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

Energy: 1.974052049858278
Energy: 1.2513495203951788
Energy: 1.2659482300819933
Energy: 1.3018727690403205
Energy: 1.267616421063427
Energy: 1.253005214913625
Energy: 1.3418873364763617
Energy: 1.2886265391923968
Energy: 1.2878767319799047
Energy: 1.328914409081618
Energy: 1.2732781775677926
Energy: 1.2765472383691339
Energy: 1.3235346498727565
Energy: 1.2710676348291559
Energy: 1.2899840084306446
Energy: 1.3246568580549054
Energy: 1.2692852717790009
Energy: 1.2452434760645503
Energy: 1.2824501259534493
Energy: 1.2449491871014073
Energy: 1.2700219014211547
Energy: 1.371490620976606
Energy: 1.2461732425170389
Energy: 1.254223500326583
Energy: 1.3198656595733125
Energy: 1.2969321137944676
Energy: 1.2772316838169067
Energy: 1.3077523218419085
Energy: 1.2855050747626176
Energy: 1.273151980982289
Energy: 1.3718193893517563
Energy: 1.264205212928952
Energy: 1.4197850096860551
Energy: 1.3127685620152802
Energy: 1.2666618376166083
Energy: 1.2650952232466965
Energy: 1.3197572294900237
Energy: 1.263936814474371
Energy: 1.2653959785754585
Energy: 1.3471214665311269
Energy: 1.2648607519537671
Energy: 1.2640145743440259
Energy: 1.3282777710399114
Energy: 1.5061480577185355
Energy: 1.2813594683462477
Energy: 1.3234007109856525
Energy: 1.2650683938923533
Energy: 1.3241451160168998
Energy: 1.242341804146804
Energy: 1.2654705993853301
Energy: 1.2692444888909702
Energy: 1.2809836679505104
Energy: 1.2652010821935888
Energy: 1.345020392488909
Energy: 1.2895291366417572
Energy: 1.2635646522359871
Energy: 1.2649233317816604
Energy: 1.3237828626676886
Energy: 1.2645849432554817
Energy: 1.2677776982747386
Energy: 1.337106225890524
Energy: 1.3066970522836365
Energy: 1.2778073259925182
Energy: 1.2976162524237829
Energy: 1.4999104719589642
Energy: 1.291623501852362
Energy: 1.3139300654830086
Energy: 1.2942314809075899
Energy: 1.2470910691570847
Energy: 1.450258843128451
Energy: 1.282162798047783
Energy: 1.3270785632341884
Energy: 1.287410141232293
Energy: 1.2632417825468374
Energy: 1.2469961667332394
Energy: 1.3636245934067581
Energy: 1.275087241638267
Energy: 1.2892208632753557
Energy: 1.3356944791445036
Energy: 1.2666273662763001
Energy: 1.3006926547865745
Energy: 1.2658762565837507
Energy: 1.293079218302775
Energy: 1.3172204460016064
Energy: 1.3621984967633887
Energy: 1.2472779724985976
Energy: 1.2523829560681234
Energy: 1.3127348110030135
Energy: 1.2447514179988708
Energy: 1.2675678241912192
Energy: 1.3129636023176452
Energy: 1.300593732048471
Energy: 1.2584551540848894
Energy: 1.2786976177389626
Energy: 1.3031315073361969
Energy: 1.3441756208277202
Energy: 1.3297997950293061
Energy: 1.43937524913969
Energy: 1.300546241568722
Energy: 1.3108393264929377
Energy: 1.267335473233178
Energy: 1.2767402656317446
Energy: 1.302868069632439
Energy: 1.2664719989463473
Energy: 1.2659753082317255
Energy: 1.2631896801904656
Energy: 1.2660806218035932
Energy: 1.2677372600028354
Energy: 1.2828797856457834
Energy: 1.2681373662828197
Energy: 1.3471024651603127
Energy: 1.3256203735136287
Energy: 1.2651816970858587
Energy: 1.2651412656416592
Energy: 1.3227774880142478
Energy: 1.2681907501665366
Energy: 1.3328619957097902
Energy: 1.3085414542873544
Energy: 1.2632268241456002
Energy: 1.262826468725025
Energy: 1.2964746703603758
Energy: 1.2667772024080715
Energy: 1.2880313592774193
Energy: 1.2713006979611894
Energy: 1.2631291207970188
Energy: 1.2750749901889766
Energy: 1.3197892955082604
Energy: 1.26912210447308
Energy: 1.2638089930041547
Energy: 1.2428740687755913
Energy: 1.2641826544314272
Energy: 1.2864913878324697
Energy: 1.339694885214225
Energy: 1.2946670511869423
Energy: 1.2713704058631579
Energy: 1.3097070876498185
Energy: 1.294782321767589
Energy: 1.3305116456766275

minimum gb energy = 1.242341804146804 eV
minimum distance =  2.22693990059309 Angstroms
sigma value = 33


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

Energy: 2.6714460044422563
Energy: 1.3290881215959605
Energy: 1.3241816124415728
Energy: 1.331295371698481
Energy: 1.3250375941519363
Energy: 1.3224100752023724
Energy: 1.554985563876259
Energy: 1.3677053702631392
Energy: 1.3313449469429641
Energy: 1.3278595527072672
Energy: 1.3381207135249056
Energy: 1.3812556145540358
Energy: 1.473399695029176
Energy: 1.3228379590981054
Energy: 1.4672747508082815
Energy: 1.36694645042936
Energy: 1.326533853446821
Energy: 1.3299543936261042
Energy: 1.3956978484644331
Energy: 1.330916120666903
Energy: 1.3211682216860057
Energy: 1.3998930395269207
Energy: 1.3208481508273746
Energy: 1.388789150752735
Energy: 1.4375779065194418
Energy: 1.3347331635951007
Energy: 1.4494195399999725
Energy: 1.4783500684628026
Energy: 1.4484097246903052
Energy: 1.3756571074235633
Energy: 1.3520849693685102
Energy: 1.3334687954184288
Energy: 1.5041844057592106
Energy: 1.3777559621590154
Energy: 1.3323714656338685
Energy: 1.3326853651710935
Energy: 1.3543746599794155
Energy: 1.3352793481043268
Energy: 1.3325261447700547
Energy: 1.4864804444203346
Energy: 1.3329261868462
Energy: 1.3312528430332695
Energy: 1.4249611028240523
Energy: 1.4701689246838754
Energy: 1.3449946362096425
Energy: 1.3808029134761415
Energy: 1.3307739168789152
Energy: 1.3968821328440888
Energy: 1.3763315207652411
Energy: 1.3251957733668867
Energy: 1.370294293261694
Energy: 1.4054390377208203
Energy: 1.3264389289377287
Energy: 1.3525479811206402
Energy: 1.5922449042835416
Energy: 1.3206311392579388
Energy: 1.3214430319636272
Energy: 1.4455270366149706
Energy: 1.3212148180459478
Energy: 1.3173656748667602
Energy: 1.4548971079353128
Energy: 1.370127470552423
Energy: 1.3515867005642268
Energy: 1.5066322150603302
Energy: 1.340646007487182
Energy: 1.3640067851648978
Energy: 1.3439218597063387
Energy: 1.3044450326734762
Energy: 1.3189998987721891
Energy: 1.3551589497555583
Energy: 1.3227730290678819
Energy: 1.3041122400738276
Energy: 1.300704573221398
Energy: 1.3043932757807866
Energy: 1.371496136795403
Energy: 1.340925970356634
Energy: 1.3269158846598486
Energy: 1.3037044708125454
Energy: 1.3867671848119498
Energy: 1.399392078864901
Energy: 1.339034982840947
Energy: 1.4553789767070966
Energy: 1.4261400970953182
Energy: 1.39419521200188
Energy: 1.47940718059074
Energy: 1.3241992786112147
Energy: 1.3247684775382425
Energy: 1.4574398974928962
Energy: 1.3265120578300067
Energy: 1.3261120523902832
Energy: 1.3593571183723672
Energy: 1.3266175253298476
Energy: 1.3701004947714743
Energy: 1.4196095736705425
Energy: 1.3253439952496673
Energy: 1.6581801962972837
Energy: 1.3872894636827777
Energy: 1.3652113913538377
Energy: 1.3243713835613606
Energy: 1.4606196630856212
Energy: 1.323555752891008
Energy: 1.387032132699214
Energy: 1.4164993253282876
Energy: 1.3260258838557972
Energy: 1.3258183255592892
Energy: 1.5454879267114217
Energy: 1.3269067937119905
Energy: 1.3298146622402565
Energy: 1.330009347167519
Energy: 1.3270289713094519
Energy: 1.3282285167354553
Energy: 1.4566304245100754
Energy: 1.327590698422499
Energy: 1.3244595965273531
Energy: 1.3451844011950986
Energy: 1.352465806748803
Energy: 1.355066933884834
Energy: 1.4702563400756679
Energy: 1.3797230482985121
Energy: 1.4046683235104103
Energy: 1.3284975450389345
Energy: 1.3422543503299453
Energy: 1.3170222743955458
Energy: 1.4235734600353438
Energy: 1.300123655890336
Energy: 1.3170305489734773
Energy: 1.3807279623805797
Energy: 1.3378910882018986
Energy: 1.6378549632126493
Energy: 1.3529833823485713
Energy: 1.331458456766584
Energy: 1.3269502765266272
Energy: 1.4126959612567396
Energy: 1.410643496494656
Energy: 1.3253088663307182
Energy: 1.4738330979987426
Energy: 1.339499870265479
Energy: 1.4494478613253319
Energy: 2.4725878859601544
Energy: 1.3252843263755465
Energy: 1.33218487829147
Energy: 1.4188464880107594
Energy: 1.3279353652880106
Energy: 1.3300539930030204
Energy: 1.4608712900420529
Energy: 1.4042222303025125
Energy: 1.3276158565026135
Energy: 1.4197421261972447
Energy: 1.3376951102226962
Energy: 1.4574397614498462
Energy: 1.3968078871440854
Energy: 1.333913813951973
Energy: 1.3329054965952738
Energy: 1.3604989383356896
Energy: 1.3325274631985595
Energy: 1.3787521226500423
Energy: 1.8308810126364052
Energy: 1.332333216052414
Energy: 1.3311103704742966
Energy: 1.3318414039776154
Energy: 1.331122277374134
Energy: 1.3323533226145712
Energy: 1.3554531926289073
Energy: 1.332860557433015
Energy: 1.4032193753233402
Energy: 1.3371271664622375
Energy: 1.3343052969927227
Energy: 1.3346529881187303
Energy: 1.411011271071477
Energy: 1.3282072354090888
Energy: 1.485692198557323
Energy: 1.4140118232401735
Energy: 1.3287870433375715
Energy: 1.3613108885129745
Energy: 1.4146055212809339
Energy: 1.329555886181088
Energy: 1.3179733861090286
Energy: 1.3347022193546443
Energy: 1.3233939309821448
Energy: 1.3280522540218946
Energy: 1.484875256675473
Energy: 1.3435616661600496
Energy: 1.3910755693444616
Energy: 1.4381569818845186
Energy: 1.4604641442870552
Energy: 1.3368639469191517
Energy: 1.4994971816580471
Energy: 1.3122751746968486
Energy: 1.317800985271898
Energy: 1.3558115699154616
Energy: 1.3323737596502052
Energy: 1.3488952941978496
Energy: 1.5310071747232499
Energy: 1.3015066630403094
Energy: 1.3043034942822975
Energy: 1.3109543654041456
Energy: 1.3044130798025895
Energy: 1.3230136623307882
Energy: 1.454377045631046
Energy: 1.333829332374472
Energy: 1.386486213678703
Energy: 1.3853966000560194
Energy: 1.4173488366423856
Energy: 1.357145231095274
Energy: 1.4291197612339257
Energy: 1.3253700905186478
Energy: 1.3256577156242433
Energy: 1.3391749862687605
Energy: 1.325227034761951
Energy: 1.4097770988030176
Energy: 1.4178442869209638
Energy: 1.3268942240581179
Energy: 1.326342482942949
Energy: 1.3698099033290838
Energy: 1.3259880462021565
Energy: 1.3728296435496348
Energy: 1.4803888566265213
Energy: 1.5073953863246035
Energy: 1.3955793333742206
Energy: 1.3708637807279442
Energy: 1.4761300014659873
Energy: 1.465532116688356
Energy: 1.4180570969370978
Energy: 1.3272618725700145
Energy: 1.3259898153897647
Energy: 1.3047757050696946
Energy: 1.3279035159876211
Energy: 1.3651721358828544
Energy: 1.4735737590176796
Energy: 1.3247599372416867
Energy: 1.3296668672363205
Energy: 1.3169622652468889
Energy: 1.3247740185159305
Energy: 1.3225297425846358
Energy: 1.4543251059726467
Energy: 1.3264434535251795
Energy: 1.365341437964973
Energy: 1.3732505266848878
Energy: 1.4606918768129424
Energy: 1.341202955223735
Energy: 1.4208138627732063
Energy: 1.3215236006234974
Energy: 1.3265447778550519
Energy: 1.3212269642577321
Energy: 1.3017782091163168
Energy: 1.3213209848859533

minimum gb energy = 1.300123655890336 eV
minimum distance =  2.24005207474419 Angstroms
sigma value = 51


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

Energy: 2.4495433381718112
Energy: 1.3363970865292867
Energy: 1.34811175226509
Energy: 1.4412019625122703
Energy: 1.3487013482714627
Energy: 1.3351200353989194
Energy: 1.383537420384053
Energy: 1.356910496679439
Energy: 1.3487678975582122
Energy: 1.350542901718644
Energy: 1.3761840000566732
Energy: 1.35541963805631
Energy: 1.5162161547032766
Energy: 1.3437887486998576
Energy: 1.3719091524561036
Energy: 1.6610834144753128
Energy: 1.3276242749732912
Energy: 1.3319443059368292
Energy: 1.4550828712654806
Energy: 1.32755516695966
Energy: 1.3311552113776133
Energy: 1.4479277049132209
Energy: 1.3310723067802106
Energy: 1.327809121048409
Energy: 1.567310768103555
Energy: 1.3684908525105781
Energy: 1.3711770097429214
Energy: 1.5386534545403474
Energy: 1.3522327874079814
Energy: 1.3750391085801636
Energy: 1.6095462248960344
Energy: 1.3474193823834013
Energy: 1.5577921029736435
Energy: 1.4668155487861756
Energy: 1.3421089605290322
Energy: 1.3491568830299205
Energy: 1.4473275497833877
Energy: 1.3558278156045076
Energy: 1.348727146764782
Energy: 1.5784445990146654
Energy: 1.3485508726986732
Energy: 1.3546464895047023
Energy: 1.5528469394575908
Energy: 1.3549668306162876
Energy: 1.3873567340990742
Energy: 1.501384316313104
Energy: 1.3453207171019446
Energy: 1.3578416143998526
Energy: 1.3561814923612285
Energy: 1.5677585138475776
Energy: 1.3508193040028633
Energy: 1.45295411646506
Energy: 1.369113615972685
Energy: 1.5741957498492032
Energy: 1.3312969737843035
Energy: 1.3431521433489364
Energy: 1.3526906542636148
Energy: 1.4844481633398732
Energy: 1.328182829847548
Energy: 1.3328792463721797
Energy: 1.5462540361151669
Energy: 1.3420067847088315
Energy: 1.3660185144693042
Energy: 1.5330305235374544
Energy: 1.3634901925618623
Energy: 1.3711059757546562
Energy: 1.5288138741932984
Energy: 1.331384536347865
Energy: 1.3329628561947
Energy: 1.456429911530761
Energy: 1.332535637766357
Energy: 1.3275325511804135
Energy: 1.427224494708162
Energy: 1.332843153674875
Energy: 1.332940482229774
Energy: 1.4236938675429203
Energy: 1.3325074191916766
Energy: 1.3272117819934695
Energy: 1.5358259608185398
Energy: 1.3769263148866164
Energy: 1.344909347020864
Energy: 1.515665689421683
Energy: 1.344483342701892
Energy: 1.375977800654575
Energy: 1.4644945341946476
Energy: 1.3449498102131847
Energy: 1.3488492412359079
Energy: 1.5741360030543758
Energy: 1.34748140578543
Energy: 1.3420603241986009
Energy: 1.5501364142591945
Energy: 1.346959199304606
Energy: 1.3477963595560187
Energy: 1.5662418270261134
Energy: 1.3419854770862356
Energy: 1.5602264140995925
Energy: 1.533961176160704
Energy: 1.3556821898626743
Energy: 1.3726081994561257
Energy: 1.5218224054763472
Energy: 1.3512831159240264
Energy: 1.3718082925623356
Energy: 1.3252632074102209
Energy: 1.3462480405656962
Energy: 1.3547618641688393
Energy: 1.4706022000788386
Energy: 1.3667200281757246
Energy: 1.3420833356352018

minimum gb energy = 1.3252632074102209 eV
minimum distance =  2.24381236899245 Angstroms
sigma value = 19


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

Energy: 2.2405747172308117
Energy: 1.4330262967126197
Energy: 1.442447199837901
Energy: 1.4299554428726493
Energy: 1.420667286891907
Energy: 1.432784332972305
Energy: 1.3203863545427592
Energy: 1.4250104719536703
Energy: 1.4235582143771697
Energy: 1.3785518909247485
Energy: 1.4461817294442316
Energy: 1.428221218947815
Energy: 1.4904067977349198
Energy: 1.4068109604298387
Energy: 1.5470071692574316
Energy: 1.3781930180506914
Energy: 1.4097860134460514
Energy: 1.4061908302878465
Energy: 1.6047602040522657
Energy: 1.409865180592002
Energy: 1.408638123438189
Energy: 1.5106347270441163
Energy: 1.4094922910591765
Energy: 1.4171852473240616
Energy: 1.5426792905733036
Energy: 1.42673740904767
Energy: 1.4388019546239046
Energy: 1.364047175438189
Energy: 1.6588510547575392
Energy: 1.4876411197621653
Energy: 1.5922270404308858
Energy: 1.4139435365414652
Energy: 1.5507310633019884
Energy: 1.341998626067661
Energy: 1.5066342148328362
Energy: 1.4840658960173674
Energy: 1.603591291553335
Energy: 1.423731403525758
Energy: 1.408176341655295
Energy: 1.408477982333247
Energy: 1.429350062769025
Energy: 1.4236397777616714
Energy: 1.493572778935263
Energy: 1.4149161515676927
Energy: 1.4322417510997316
Energy: 1.3443350276966648
Energy: 1.4111493255280094
Energy: 1.4233992348728903
Energy: 1.359316411159981
Energy: 1.4325171905743437
Energy: 1.3807240957643137
Energy: 1.3795417946959987
Energy: 1.4048852838898913
Energy: 1.4226163582234315
Energy: 1.377671817506627
Energy: 1.366395498817212
Energy: 1.3918366812188276
Energy: 1.4387619259816762
Energy: 1.384648196251858
Energy: 1.4110614388296472
Energy: 1.441895270965388
Energy: 1.4185700237388426
Energy: 1.430735880130093
Energy: 1.4480804683208635
Energy: 1.436069650555365
Energy: 1.4121778235257725
Energy: 1.5106982228378336
Energy: 1.408341384903228
Energy: 1.4095257689714569
Energy: 1.51391498367686
Energy: 1.4078983886273233
Energy: 1.4349929589667123
Energy: 1.721215267426304
Energy: 1.4114429420747807
Energy: 1.414093433664765
Energy: 1.5087756314766605
Energy: 1.4145539663227844
Energy: 1.4113071616383435
Energy: 1.4728198989499064
Energy: 1.5238298770591903
Energy: 1.4137707729642095
Energy: 1.4646152482571277
Energy: 1.5377211276631713
Energy: 1.4517357381246239
Energy: 1.429031487326112
Energy: 1.3693315094098226
Energy: 1.5590085791983754
Energy: 1.3159064371894527
Energy: 1.4141139375011027
Energy: 1.373853424940806
Energy: 1.4250613963371626
Energy: 1.3827232077920375
Energy: 1.3909098395469013
Energy: 1.4514999685994523
Energy: 1.364932872926254
Energy: 1.4275654353911726
Energy: 1.4154587027689058
Energy: 1.4238253723808705
Energy: 1.4215545487082277
Energy: 1.4846921219759144
Energy: 1.4233130735468902
Energy: 1.4348481983995736
Energy: 1.624369334324631
Energy: 1.4067252758336737
Energy: 1.405669740042015
Energy: 1.5499566023778413
Energy: 1.4136306675562813
Energy: 1.4078245032024956
Energy: 1.587973495107623
Energy: 1.4080939983366918
Energy: 1.4077428616251493
Energy: 1.5483827906264984
Energy: 1.4085158955858894
Energy: 1.5433001921958658
Energy: 1.3567268353008584
Energy: 1.416988713964299
Energy: 1.4665184469292651
Energy: 1.500825241555628
Energy: 1.59298434531999
Energy: 1.4488396248949342
Energy: 1.4469708753336084
Energy: 1.4214562023441724
Energy: 1.410076601761091
Energy: 1.6123975164945084
Energy: 1.415649669181818
Energy: 1.426520619470751
Energy: 1.4258011221034879
Energy: 1.4073375967808626
Energy: 1.4180412500005044
Energy: 1.5716058553122336
Energy: 1.4173067437566529
Energy: 1.4044457610735064
Energy: 1.3793402676598887
Energy: 1.4409209227250728
Energy: 1.4126509192264058
Energy: 1.4564520595864454
Energy: 1.4152920132293796
Energy: 1.4027470497194026
Energy: 1.3806968631180656
Energy: 1.3780013540646185
Energy: 1.4149718903408441
Energy: 1.3823464097780085
Energy: 1.3654481852819298
Energy: 1.3650572319298815
Energy: 1.4029130933255716
Energy: 1.4304340590813884
Energy: 1.428328762366135
Energy: 1.4308057745258254
Energy: 1.4194396467545436
Energy: 1.3892698081836232
Energy: 1.4725748919002706
Energy: 1.53211266608792
Energy: 1.4157733969564816
Energy: 1.4668427295264566
Energy: 1.5470511490599093
Energy: 1.4381086640519107
Energy: 1.9762161899570343
Energy: 1.4070001690110197
Energy: 1.4116648193861865
Energy: 1.5078134485438233
Energy: 1.413765081622584
Energy: 1.4072755389557965
Energy: 1.3906850868098224
Energy: 1.4087682625324822
Energy: 1.4080050000480275
Energy: 1.6991523034447218
Energy: 1.4075153312432391
Energy: 1.4195137857703675
Energy: 1.416447028749241
Energy: 1.4148073357998037
Energy: 1.4222991467094817
Energy: 1.453439350906254
Energy: 1.5376044577995505
Energy: 1.4441836645301525
Energy: 1.4486384400555112
Energy: 1.41644383504385
Energy: 1.387874547921944
Energy: 1.429214978278614
Energy: 1.366769620274974
Energy: 1.3878596089721327

minimum gb energy = 1.3159064371894527 eV
minimum distance =  2.20332489554259 Angstroms
sigma value = 27


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

Energy: 1.811467408195049
Energy: 1.3457213132102281
Energy: 1.3603822124200247
Energy: 1.2849731215079976
Energy: 1.3759499526569274
Energy: 1.3471930756797201
Energy: 1.2693654692151932
Energy: 1.331320095944669
Energy: 1.42358749256179
Energy: 1.2667557856799365
Energy: 1.3667256816189444
Energy: 1.3507873315743206
Energy: 1.2394511512176833
Energy: 1.323668131197068
Energy: 1.3388705904675144
Energy: 1.2407362172773186
Energy: 1.3242729717500519
Energy: 1.3243267126277514
Energy: 1.2685008636762602
Energy: 1.3467819165179018
Energy: 1.3232338578767642
Energy: 1.2743707882258588
Energy: 1.3232144737434657
Energy: 1.3853297905775954
Energy: 1.2911111689626011
Energy: 1.359871009176801
Energy: 1.3394127386186554
Energy: 1.2405607982944504
Energy: 1.341007807743753
Energy: 1.351023249559804
Energy: 1.328125946616296
Energy: 1.3514581682962676
Energy: 1.3320091298422119
Energy: 1.2571129178637304
Energy: 1.3316062126981276
Energy: 1.3701289470028633
Energy: 1.3106684927470154
Energy: 1.3624766241016262
Energy: 1.3454149115440577
Energy: 1.7812387925014628
Energy: 1.3747284512844617
Energy: 1.3602556026353267
Energy: 1.2520539716273063
Energy: 1.3683455021851634
Energy: 1.5150860064727858
Energy: 1.2540346677136873
Energy: 1.3318862001969445
Energy: 1.5138091819838668
Energy: 1.2602356601150848
Energy: 1.325734465863493
Energy: 1.323620587929318
Energy: 1.2394199355415596
Energy: 1.3238670520143354
Energy: 1.3312485172149466
Energy: 1.2977296434504009
Energy: 1.3232106252598435
Energy: 1.3533224275551827
Energy: 1.2913780247785056
Energy: 1.36637983045829
Energy: 1.32305029885685
Energy: 1.2391639656395035
Energy: 1.339174636537525
Energy: 1.372563275423734
Energy: 1.2876388905650364
Energy: 1.518200513670925
Energy: 1.3244899397941945
Energy: 1.2693654686367952
Energy: 1.3314067102527163
Energy: 1.354201571247071
Energy: 1.3250200937945524
Energy: 1.3651552857055609
Energy: 1.339193508541616

minimum gb energy = 1.2391639656395035 eV
minimum distance =  2.26238312428055 Angstroms
sigma value = 9


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

Energy: 2.7879671317849586
Energy: 1.4624872889352905
Energy: 1.4257478910345207
Energy: 1.410037677495617
Energy: 1.427383688463138
Energy: 1.460688613239787
Energy: 1.3911740219170552
Energy: 1.5268369276526166
Energy: 1.3619899918811995
Energy: 1.4021251345457826
Energy: 1.4422348502646665
Energy: 1.4871538814344576
Energy: 1.428301629567085
Energy: 1.47741241686061
Energy: 1.563602019564499
Energy: 1.4574621234986724
Energy: 1.466340690601957
Energy: 1.4134334968523954
Energy: 1.3538105881933067
Energy: 1.464247350465856
Energy: 1.501713126713464
Energy: 1.5302552960757039
Energy: 1.4643459978952449
Energy: 1.5264658726851292
Energy: 1.4620555459954105
Energy: 1.4907355327566294
Energy: 1.4663427609816184
Energy: 1.4223114268700834
Energy: 1.464884238618314
Energy: 1.5667597018518158
Energy: 1.3861718562229346
Energy: 1.3982226481168643
Energy: 1.4731406968949363
Energy: 1.4375431586053122
Energy: 1.604986612624837
Energy: 1.3332659796629207
Energy: 1.3928801830068305
Energy: 1.4614805690079098
Energy: 1.4660597238368946
Energy: 1.5375310232207737
Energy: 1.427657007092795
Energy: 1.4264797097688429
Energy: 1.3336006310278217
Energy: 1.3348251643695752
Energy: 1.508407902055287
Energy: 1.4332815745518677
Energy: 1.5846431378981456
Energy: 1.3776027827936386
Energy: 1.3766681247393269
Energy: 1.476009430359266
Energy: 1.507782249978266
Energy: 1.469907253323114
Energy: 1.5045691338784772
Energy: 1.5317724118686031
Energy: 1.3703489291133857
Energy: 1.4653040863554088
Energy: 1.4867766504988316
Energy: 1.642000266861171
Energy: 1.4486166764230015
Energy: 1.484658387273932
Energy: 1.386336093313514
Energy: 1.4629244078990653
Energy: 1.5062681610531627
Energy: 1.5020730503134492
Energy: 1.4476767438325095
Energy: 1.440074067565679
Energy: 1.3480861854556758
Energy: 1.518662339989387
Energy: 1.4250023268353933
Energy: 1.435517225990611
Energy: 1.4246829022027734
Energy: 1.4925584973422266
Energy: 2.5136737740259987
Energy: 1.4645627062290418
Energy: 1.4655846009526317
Energy: 1.4065454693694808
Energy: 1.4572204808178262
Energy: 1.5260463310708174
Energy: 1.3951114247342236
Energy: 1.5517456850844147
Energy: 1.416097741993461
Energy: 1.386004755635967
Energy: 1.4313937196312922
Energy: 1.5049999006064403
Energy: 1.371901981140743
Energy: 1.5578628348415675
Energy: 1.4512835926221346
Energy: 1.3813180411097892
Energy: 1.4912859810260273
Energy: 1.4925146713772153
Energy: 1.7382473656037896
Energy: 1.4083686986035833
Energy: 1.4407730577861932
Energy: 1.3897682584839435
Energy: 1.4077182725646482
Energy: 1.4297106089312268
Energy: 1.392958352399901
Energy: 1.4084928029409511
Energy: 1.4080721516349861
Energy: 1.4023545073717243
Energy: 1.4087553591051842
Energy: 1.7404469492988284
Energy: 1.355924187085376
Energy: 1.4485697411588123
Energy: 1.4347800365669376
Energy: 1.4295777770796192
Energy: 1.4647944522390637
Energy: 1.558163748070952
Energy: 1.3740537928492307
Energy: 1.4953379047747746
Energy: 1.470281972185801
Energy: 1.6552680295336173
Energy: 1.4686682559202737
Energy: 1.50643295603727
Energy: 1.418389139792806
Energy: 1.4461397468768147
Energy: 1.5246648451974698
Energy: 1.4781875838579979
Energy: 1.4489896936115205
Energy: 1.4913366407277948
Energy: 1.3587606477479068
Energy: 1.4332268284010679
Energy: 1.552498430859632
Energy: 1.4082087205047022
Energy: 1.5117377066260325
Energy: 1.3977189430459387
Energy: 1.3643941062271645
Energy: 1.4152649155433186
Energy: 1.3827480167101718
Energy: 1.4221866956285114
Energy: 1.3558839546356247
Energy: 1.3947648062935945
Energy: 1.3948785157232713
Energy: 1.334390380092255
Energy: 1.5022580496856592
Energy: 1.369357756093744
Energy: 1.3348689384645922
Energy: 1.3584840689402582
Energy: 1.4614006269190531
Energy: 1.5362112987266678
Energy: 1.4664850381375227
Energy: 1.44525015586129
Energy: 1.4685514307251193
Energy: 1.4048424766648855
Energy: 1.9774352296032782
Energy: 1.4685968581437596
Energy: 1.4897023593771936
Energy: 1.519413903156482
Energy: 1.4692143811892473
Energy: 1.468985427250883
Energy: 1.4841051188241428
Energy: 1.4742836446171115
Energy: 1.4643817585890553
Energy: 1.337459761198743
Energy: 1.4652087499453665
Energy: 1.49583782203728
Energy: 1.4528441596779995
Energy: 1.4685755483598462
Energy: 1.4011333989276864
Energy: 1.461934597598554
Energy: 1.5297501713898434
Energy: 1.5282366697266763
Energy: 1.5540110926674477
Energy: 1.3341572554464967
Energy: 1.4280362781081208
Energy: 1.386487775047498
Energy: 1.3582002506381365
Energy: 1.419970421949083
Energy: 1.4064238294268419
Energy: 1.3333371029475727
Energy: 1.3342923644421327
Energy: 1.3418980712657271
Energy: 1.3348722872788392
Energy: 1.5432767168885708
Energy: 1.4441199290176285
Energy: 1.5120531529501566
Energy: 1.4328677408586714
Energy: 1.3715629889603127
Energy: 1.5242504750105834
Energy: 1.5313957797966717
Energy: 1.5496755596651395
Energy: 1.4547538419813024
Energy: 1.4515455520446756
Energy: 1.5910532459795206
Energy: 1.4487531698225968
Energy: 1.57281771302751
Energy: 1.5674449861492938
Energy: 1.4491916792536652
Energy: 1.4828522505598047
Energy: 1.3808305467780546
Energy: 1.4671492024284027
Energy: 1.4997758972747612
Energy: 1.432849596214888
Energy: 1.4426025964318954
Energy: 1.5394627676385713
Energy: 1.4081076210194303
Energy: 1.4608319976083897
Energy: 1.433573825755444
Energy: 1.4192712360623791
Energy: 1.4348652353290028
Energy: 1.4115084208140114
Energy: 1.4012414324409785
Energy: 1.4080937782582825
Energy: 1.431971148356382
Energy: 1.4736108986090675
Energy: 1.4127661458895107
Energy: 1.5161495904401192
Energy: 1.4581247000864561
Energy: 1.4133349649200322
Energy: 1.4113353158764315
Energy: 1.3694290302549732
Energy: 1.4896352038253295
Energy: 1.5222806537064326
Energy: 1.3781551967982817
Energy: 1.5488378650995422
Energy: 1.4213255226756796
Energy: 1.4475492505686134
Energy: 1.4100523790332642
Energy: 1.543974139656448
Energy: 1.3219633325377969
Energy: 1.4077595935059175
Energy: 1.4338699708842964
Energy: 1.4201594752589841
Energy: 1.4579601658922212
Energy: 1.430517112539046
Energy: 1.4303583490660805
Energy: 1.4423078855222482
Energy: 1.4691221173062963
Energy: 1.4362806651148403
Energy: 1.4394374413859228
Energy: 1.466771962667056
Energy: 1.3834230885382028
Energy: 1.5071948892005345
Energy: 1.5183879213582734
Energy: 1.5273687095397948
Energy: 1.4473925104631087
Energy: 1.5205530558832663
Energy: 1.3896429678223896
Energy: 1.4523996388387075
Energy: 1.4573229542477935
Energy: 1.441378953611917
Energy: 1.4478546421289158
Energy: 1.445691428020879
Energy: 1.5428116818894657
Energy: 1.4479254385063531
Energy: 1.5012855100924185
Energy: 1.4268557678743616
Energy: 1.5116922998406341
Energy: 1.5209574936513204
Energy: 1.3596201594788582
Energy: 1.5436265106088582
Energy: 1.4292145919813046
Energy: 1.3834592722635968
Energy: 1.4306457448316714
Energy: 1.3350863975151976
Energy: 1.3259255322086323
Energy: 1.3339288055662364
Energy: 1.5859842844491456

minimum gb energy = 1.3219633325377969 eV
minimum distance =  2.24358510569235 Angstroms
sigma value = 57


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

Energy: 2.7569011334298787
Energy: 1.4154026200937755
Energy: 1.280748643511185
Energy: 1.2704474582206067
Energy: 1.3803353886865941
Energy: 1.4201492700441802
Energy: 1.148451349206188
Energy: 1.4129718894733323
Energy: 1.2989337894331858
Energy: 1.1574435755161017
Energy: 1.3094579069173886
Energy: 1.393529796728212
Energy: 1.156246332388351
Energy: 1.4051977851120514
Energy: 1.4047985420769185
Energy: 1.2103754965483622
Energy: 1.4111557885129624
Energy: 1.4509683564721374
Energy: 1.2461738086397016
Energy: 1.405215451451791
Energy: 1.403990108390877
Energy: 1.21166496887593
Energy: 1.4067359831902153
Energy: 1.4377959596042447
Energy: 1.2274371535341473
Energy: 1.4095272012572324
Energy: 1.4052379707345788
Energy: 1.1641553382148688
Energy: 1.4065649869625547
Energy: 1.3489668749239536
Energy: 1.1491710759034297
Energy: 1.2976864546368796
Energy: 1.4306131327944709
Energy: 1.180275463005137
Energy: 1.3939451686063646
Energy: 1.2980738847817492
Energy: 1.2185718003043782
Energy: 1.3816598480992293
Energy: 1.3928213707293866
Energy: 1.3850981960566
Energy: 1.3769265769927468
Energy: 1.3704256258055234
Energy: 1.2058647542643013
Energy: 1.2977428770863086
Energy: 1.4165149590867219
Energy: 1.3030433194486
Energy: 1.4302906875772081
Energy: 1.2989104545202463
Energy: 1.199698660178325
Energy: 1.4765466792918112
Energy: 1.4094644837441659
Energy: 1.1667295539219933
Energy: 1.4146996226480915
Energy: 1.2573967247929076
Energy: 1.2390826863099078
Energy: 1.3459782083814147
Energy: 1.3926197272935943
Energy: 1.1504484755987563
Energy: 1.2984611665540455
Energy: 1.3699645062561068
Energy: 1.190607808323073
Energy: 1.3005588492923454
Energy: 1.3980332665915394
Energy: 1.1468387141171272
Energy: 1.2987667974490626
Energy: 1.310276872309262
Energy: 1.1671312239073046
Energy: 1.418940096566672
Energy: 1.3925173279947847
Energy: 1.157563427352944
Energy: 1.4173117564880962
Energy: 1.5740782108655438
Energy: 1.2003130304567893
Energy: 1.4138934135668177
Energy: 1.3654196310796711
Energy: 1.3219161941507704
Energy: 1.4140568253891435
Energy: 1.4141759215905185
Energy: 1.432407842266454
Energy: 1.4112057844195038
Energy: 1.405406488405891
Energy: 1.228489573236752
Energy: 1.4158652645437468
Energy: 1.4171836363630999
Energy: 1.1546788188497599
Energy: 1.4162624595222808
Energy: 1.3156197669325
Energy: 1.1562664126905273
Energy: 1.3140770626971368
Energy: 1.4108486879550324
Energy: 1.5229455750536431
Energy: 1.3055469875520018
Energy: 1.304412327564175
Energy: 1.20274641172959
Energy: 1.3143833687154085
Energy: 1.4481711793387981
Energy: 1.4647017604584094
Energy: 1.2989305829015285
Energy: 1.3003162791971064
Energy: 1.3207623648405629
Energy: 1.303159186343049
Energy: 1.4151174279959933
Energy: 1.1991612395849882
Energy: 1.4173100397025093
Energy: 1.3601822942753345
Energy: 1.2181112701202441
Energy: 1.4168930501511476
Energy: 1.4092064443922248
Energy: 1.1505860236430758
Energy: 1.3990134710839968
Energy: 1.2982135182199175
Energy: 1.2061418505542816
Energy: 1.3059642892852932
Energy: 1.41564083118479

minimum gb energy = 1.1468387141171272 eV
minimum distance =  2.22974484885563 Angstroms
sigma value = 11


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

Energy: 2.027395354380488
Energy: 1.3630133598528882
Energy: 1.2195788138888812
Energy: 1.2238412220017953
Energy: 1.3310014905539647
Energy: 1.3144326760285392
Energy: 1.4705346797547034
Energy: 1.348984957019595
Energy: 1.1950435334163259
Energy: 1.2650056511032444
Energy: 1.2169343286281493
Energy: 1.3636471579951481
Energy: 1.426762940985394
Energy: 1.3332400767730124
Energy: 1.3674374739098776
Energy: 1.3812748444360545
Energy: 1.3338080465985394
Energy: 1.3648695530861996
Energy: 1.3813941556160405
Energy: 1.3325603368587178
Energy: 1.353275304387874
Energy: 1.4182187759392533
Energy: 1.3329246285159562
Energy: 1.4291034958170934
Energy: 1.4155432587681682
Energy: 1.3710727522451467
Energy: 1.3398540234972154
Energy: 1.2976202911032806
Energy: 1.3344073085090051
Energy: 1.4273861009586493
Energy: 1.422524063472905
Energy: 1.3305086439043934
Energy: 1.3341482989519107
Energy: 1.2714259557362615
Energy: 1.3335650128557064
Energy: 1.4515884515661954
Energy: 1.3291535204757854
Energy: 1.3500460249968056
Energy: 1.3323428829025012
Energy: 1.3618579979546683
Energy: 1.3640612151644333
Energy: 1.327120196739668
Energy: 1.252071553757331
Energy: 1.3305670396164473
Energy: 1.3348186310449088
Energy: 1.3410804032778278
Energy: 1.3319626477252855
Energy: 1.3322346649455041
Energy: 1.2408997328394549
Energy: 1.2083291048891274
Energy: 1.3443394069693986
Energy: 1.1972902045300928
Energy: 1.3469055956458895
Energy: 1.2059373217359226
Energy: 1.1524414170264583
Energy: 1.2042894033858504
Energy: 1.208547157070118
Energy: 1.4993715484882517
Energy: 1.2810611253269433
Energy: 1.2373559506339002
Energy: 1.1207553695177508
Energy: 1.1997552231555189
Energy: 1.2980204071240649
Energy: 1.262880983705909
Energy: 1.2111568039006786
Energy: 1.1984592027249341
Energy: 1.1332427315691005
Energy: 1.2047989693459735
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Energy: 1.2896933259613956
Energy: 1.3252204455435193
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Energy: 1.1207101437656275
Energy: 1.194759799905353
Energy: 1.3309667708865824
Energy: 1.4266718973462797
Energy: 1.2045519175232113
Energy: 1.1762434389127268
Energy: 1.1588269977481578
Energy: 1.3201571760846333
Energy: 1.2957634404407985
Energy: 1.442423383657377
Energy: 1.250216692021179
Energy: 1.1222785272857432
Energy: 1.2827155028028552
Energy: 1.2014684162752356
Energy: 1.3667262511966403
Energy: 1.2723116299783508
Energy: 1.3470617674466678
Energy: 1.1939149970477954
Energy: 1.387873982440816
Energy: 1.3340094444976867
Energy: 1.4283696749788672
Energy: 1.596825091618083
Energy: 1.3315667759233498
Energy: 1.3743981564970091
Energy: 1.4036893881418002
Energy: 1.3421097591282642
Energy: 1.3635168550603491
Energy: 1.4269690677372269
Energy: 1.3333088516611251
Energy: 1.3623272488808174
Energy: 1.415820449337415
Energy: 1.3320006735413548
Energy: 1.4549045187667775
Energy: 1.562682275793303
Energy: 1.372078244469698
Energy: 1.340196599554551
Energy: 1.255224921073402
Energy: 1.3354463723616397
Energy: 1.3339026087536876
Energy: 1.0834007046945162
Energy: 1.331109498866533
Energy: 1.3683439821395411
Energy: 1.4688842380512932
Energy: 1.3331595155036695
Energy: 1.281968127335092
Energy: 1.3997405931003088
Energy: 1.3354599648952947
Energy: 1.3352153907149917
Energy: 1.439839244405944
Energy: 1.331683861867947
Energy: 1.3392550205043436
Energy: 1.1533059416694345
Energy: 1.3333550778174084
Energy: 1.4577672075762034
Energy: 1.26528256021828
Energy: 1.3490922983870797
Energy: 1.2115622496871086
Energy: 1.2307863152966712
Energy: 1.2119702330593911
Energy: 1.3659413983433317
Energy: 1.3542782729442384
Energy: 1.206011097984671
Energy: 1.2057047277749608
Energy: 1.0900908424268314
Energy: 1.206364227379396
Energy: 1.336511844852629
Energy: 1.266201546894961
Energy: 1.2662637918178512
Energy: 1.1951796346551964
Energy: 1.1640527424432863
Energy: 1.1949618536942574
Energy: 1.4404069023738848
Energy: 1.4321293795686323
Energy: 1.4562806200812188
Energy: 1.2436899974450821
Energy: 1.1577404630640435
Energy: 1.3108647642284212
Energy: 1.3616175369094716
Energy: 1.13089992221248
Energy: 1.2883462281378
Energy: 1.2058916208455164
Energy: 1.13420294636049
Energy: 1.1961761596542582
Energy: 1.4690034479293579

minimum gb energy = 1.0834007046945162 eV
minimum distance =  2.23581052125335 Angstroms
sigma value = 41


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

Energy: 1.8803106944799228
Energy: 1.265559182989225
Energy: 1.1332545800532876
Energy: 1.0818644988141617
Energy: 1.2118426931425803
Energy: 1.4504451455935834
Energy: 1.2312220978592219
Energy: 1.259657713439468
Energy: 1.0946883552729743
Energy: 1.144237536228503
Energy: 1.09498600382987
Energy: 1.2607884773336988
Energy: 1.7492567786211273
Energy: 1.2738232799686302
Energy: 1.239077294649182
Energy: 1.2109158868260286
Energy: 1.2215024572223347
Energy: 1.2701217940191718
Energy: 1.7503653914689714
Energy: 1.2214363517232152
Energy: 1.2383490567623578
Energy: 1.1374674078396692
Energy: 1.2217532745757114
Energy: 1.295722370218447
Energy: 1.7823964837149229
Energy: 1.2280350167190497
Energy: 1.2235764920541132
Energy: 1.3002127759285862
Energy: 1.2212013194699158
Energy: 1.279909522289506
Energy: 1.5260652322970105
Energy: 1.2590953889700358
Energy: 1.293779353353049
Energy: 1.267842243105219
Energy: 1.285605811152419
Energy: 1.2538544938247749
Energy: 1.238167761300093
Energy: 1.2585438067904038
Energy: 1.2536419044946743
Energy: 1.2772436647533498
Energy: 1.2620583021938654
Energy: 1.299582917224832
Energy: 1.2737466902799046
Energy: 1.2632013044367387
Energy: 1.2753959950286133
Energy: 1.3111286392773893
Energy: 1.2638077720334528
Energy: 1.2476154611328139
Energy: 1.3865851926355535
Energy: 1.2770441458788997
Energy: 1.257177419406259
Energy: 1.2927243870751477
Energy: 1.2632392413493192
Energy: 1.3090595257765325
Energy: 1.1504433326120378
Energy: 1.2274882415569959
Energy: 1.2207260927313408
Energy: 1.3002270473160924
Energy: 1.2223725200626716
Energy: 1.25740093140733
Energy: 1.1825567500119647
Energy: 1.2235212357548746
Energy: 1.226608956736016
Energy: 1.340406391085027
Energy: 1.2191653762081116
Energy: 1.2087519771367743
Energy: 1.1675568178044597
Energy: 1.2235543455012636
Energy: 1.2929592469677937
Energy: 1.352515192576489
Energy: 1.2287355570953928
Energy: 1.1564626443293593
Energy: 1.119320984975697
Energy: 1.0942420293444115
Energy: 1.2391564813861833
Energy: 1.254025454144982
Energy: 1.1000387233107658
Energy: 1.184419598720561
Energy: 1.0499977288879985
Energy: 1.0985047793731113
Energy: 1.2527546685502653
Energy: 1.2438671816379951
Energy: 1.100013452942464
Energy: 1.0080484867834774
Energy: 1.0235503273133852
Energy: 1.0963984212872282
Energy: 1.2762868425970593
Energy: 1.2503590795605821
Energy: 1.2013003890670257
Energy: 1.0956413624587864
Energy: 1.0190879185406916
Energy: 1.0962384412026025
Energy: 1.21955163417742
Energy: 1.2621064041736707
Energy: 1.2036588056100923
Energy: 1.0682575591055417
Energy: 1.0366318716406404
Energy: 1.0892573688797784
Energy: 1.1810255450065192
Energy: 1.2840699444774775
Energy: 1.1010338212792112
Energy: 1.0079111855380534
Energy: 1.1479737807682926
Energy: 1.0958176445697823
Energy: 1.2181637337086964
Energy: 1.3245910688565892
Energy: 1.098912573608525
Energy: 1.1490702426640018
Energy: 1.2282037710896088
Energy: 1.2416704286730236
Energy: 1.259792650528328
Energy: 1.286704142756718
Energy: 1.2331693089477704
Energy: 1.178637184456164
Energy: 1.182718504875185
Energy: 1.2211176634041427
Energy: 1.2264967021169224
Energy: 1.2472356075739928
Energy: 1.2206290764562613
Energy: 1.2444685499532786
Energy: 1.1339197400408632
Energy: 1.2231908601991117
Energy: 1.251552605818901
Energy: 1.295231618315629
Energy: 1.2215536195141319
Energy: 1.2954754125770145
Energy: 1.550172189003905
Energy: 1.2262944493890393
Energy: 1.2570094664848792
Energy: 1.2493082917074227
Energy: 1.273109469166264
Energy: 1.2284914475435218
Energy: 1.470580600092636
Energy: 1.2547384313061365
Energy: 1.266213007366282
Energy: 1.392320166907004
Energy: 1.2691611759042147
Energy: 1.2532487895651496
Energy: 1.5168336200496018
Energy: 1.2699196120959353
Energy: 1.256648776947109
Energy: 1.2869211445035351
Energy: 1.268141385001813
Energy: 1.2959523389702647
Energy: 1.7237628795544087
Energy: 1.258901503746273
Energy: 1.304752836503823
Energy: 1.5158930827784622
Energy: 1.282497871035116
Energy: 1.2530352157246465
Energy: 1.463340172217599
Energy: 1.2204094803490706
Energy: 1.2818597252330082
Energy: 1.3283697654590432
Energy: 1.2208176516565448
Energy: 1.2416019019988005
Energy: 1.4613032196713924
Energy: 1.220626569469428
Energy: 1.215566871543895
Energy: 1.2272227037187393
Energy: 1.2228676072905669
Energy: 1.2278976544206233
Energy: 1.750363664997797
Energy: 1.2278487184496456
Energy: 1.2152278631907012
Energy: 1.232841582095237
Energy: 1.2219217866304108
Energy: 1.2721326835404454
Energy: 1.511084200855221
Energy: 1.2364277954191945
Energy: 1.0931993555274855
Energy: 1.1169140401906528
Energy: 1.121702475577937
Energy: 1.2599324163266312
Energy: 1.6099850840015482
Energy: 1.1805251790395075
Energy: 1.2047501442727842
Energy: 1.053990388577975
Energy: 1.2237384660134265
Energy: 1.2160359545604769
Energy: 1.5236888260155943
Energy: 1.2068228361573108
Energy: 1.0935857365601545
Energy: 1.0449585344097425
Energy: 1.1261239571382582
Energy: 1.262713117287507
Energy: 1.7227783053204062
Energy: 1.2632952831026374
Energy: 1.0826241599692077
Energy: 1.026011762827808
Energy: 1.1977315029529338
Energy: 1.2620992264320572
Energy: 1.688209287120033
Energy: 1.1386712427112173
Energy: 1.0873187723912185
Energy: 1.0289020900452903
Energy: 1.1020527915114415
Energy: 1.1742969553675118

minimum gb energy = 1.0079111855380534 eV
minimum distance =  2.20579605773998 Angstroms
sigma value = 33


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

Energy: 2.2784317673228878
Energy: 1.0470007121050067
Energy: 0.9519560564486318
Energy: 0.9508031663724021
Energy: 1.0885152452589217
Energy: 1.2815039755697062
Energy: 1.765211868278539
Energy: 1.1013970483440643
Energy: 1.0119894664506928
Energy: 0.9884555757754505
Energy: 0.958680338577388
Energy: 1.0941157882048067
Energy: 2.038969932720888
Energy: 1.1003722243090406
Energy: 1.0596147482702531
Energy: 1.077781788375929
Energy: 1.0611803798243438
Energy: 1.1038985231116736
Energy: 1.797566811576039
Energy: 1.067246324724108
Energy: 1.053447258924874
Energy: 1.0495737257975672
Energy: 1.051262085677483
Energy: 1.0989754006936288
Energy: 1.7768068955571636
Energy: 1.059995355835951
Energy: 1.0488113091204387
Energy: 1.162082774005368
Energy: 1.0520952616281996
Energy: 1.0925627777104299
Energy: 1.7055420900568439
Energy: 1.1083775781593228
Energy: 1.1095497664926042
Energy: 1.1056511147900472
Energy: 1.1110439329528283
Energy: 1.1117725117611135
Energy: 1.9356858593292752
Energy: 1.1039945724183549
Energy: 1.1051197726157327
Energy: 1.1155079441517748
Energy: 1.1000883793108198
Energy: 1.1516676442602236
Energy: 1.4868293222532856
Energy: 1.1008354142479622
Energy: 1.137514287658388
Energy: 1.1359336430314537
Energy: 1.150455787814671
Energy: 1.1062372659774133
Energy: 1.8993741736329903
Energy: 1.1408306778460513
Energy: 1.1112897968658362
Energy: 1.0998719371419299
Energy: 1.1086348826673234
Energy: 1.1118089138646923
Energy: 1.556327363675346
Energy: 1.1127293163665197
Energy: 1.1109670965922762
Energy: 1.11975389239262
Energy: 1.1115447020156537
Energy: 1.1185299749238542
Energy: 1.5132723695026873
Energy: 1.1069362395991207
Energy: 1.1330769446433306
Energy: 1.1207345358589158
Energy: 1.1094638662209813
Energy: 1.123212952675012
Energy: 1.4873624387691227
Energy: 1.1322350444558626
Energy: 1.1066383769940817
Energy: 1.1328136045581012
Energy: 1.1067282629851456
Energy: 1.132592927380326
Energy: 1.5435690386693197
Energy: 1.1019908967743655
Energy: 1.1271933880846974
Energy: 1.1112729658261224
Energy: 1.1174777048286908
Energy: 1.098302059440484
Energy: 1.348445722201694
Energy: 1.1053696016924093
Energy: 1.0991327098365367
Energy: 1.1228079470362
Energy: 1.0981928940607306
Energy: 1.1179336091802372
Energy: 1.196757745799956
Energy: 1.112341874879219
Energy: 1.1278461161352586
Energy: 1.1114943926319847
Energy: 1.110827386583759
Energy: 1.1002749877840359
Energy: 1.2099011709446794
Energy: 1.1044243566748544
Energy: 1.1067286455881835
Energy: 1.1123306048010013
Energy: 1.103429681381897
Energy: 1.1179586086576132
Energy: 1.0885077089249116
Energy: 1.0605627876166397
Energy: 1.102430971720073
Energy: 1.1037414066168691
Energy: 1.050380227119217
Energy: 1.1249156089614383
Energy: 1.045907182931918
Energy: 1.0630573138986141
Energy: 1.0586142291959992
Energy: 1.1159206691185568
Energy: 1.0569488988361575
Energy: 1.0354174452296587
Energy: 0.9980531875961336
Energy: 1.0512736232535116
Energy: 1.1048128136899191
Energy: 1.1086870532545716
Energy: 1.064800646072552
Energy: 0.9941820869039275
Energy: 0.9651342219972543
Energy: 0.9561644268693924
Energy: 1.0714318695603977
Energy: 1.1237896486768204
Energy: 0.9509780484251055
Energy: 1.0310365681613711
Energy: 0.886520348439858
Energy: 0.9425423028891089
Energy: 1.065081061982403
Energy: 1.1366647012055944
Energy: 0.9429734755307649
Energy: 0.9214327636580354
Energy: 0.889028192757195
Energy: 0.9506507921941318
Energy: 1.098037557242828
Energy: 1.1097827182854016
Energy: 1.0421277851491746
Energy: 0.946251812082613
Energy: 0.9151968263623323
Energy: 0.9502963002002209
Energy: 1.0932414053290878
Energy: 1.1162370107919393
Energy: 1.1182750782784925
Energy: 0.951796034185864
Energy: 0.9111882355377962
Energy: 0.9926645136081029
Energy: 1.0955753264386274
Energy: 1.0964368015758557
Energy: 0.9403318518951542
Energy: 0.9685849044779263
Energy: 0.9920575444431865
Energy: 0.951766602892998
Energy: 1.0941346756506012
Energy: 1.1121882405771415
Energy: 1.0240819894991267
Energy: 1.0097642954315975
Energy: 1.0390500811106524
Energy: 1.054211029639853
Energy: 1.0985082529635533
Energy: 1.1425319877153246
Energy: 1.096663993580458
Energy: 1.0559260989454549
Energy: 1.03524797341374
Energy: 1.0481150990354764
Energy: 1.0594989728486868
Energy: 1.1239997914453956
Energy: 1.0760241015185052
Energy: 1.0597466140793048
Energy: 1.243377679864993
Energy: 1.0494322189389567
Energy: 1.096367196214973
Energy: 1.2491406046444546
Energy: 1.0486341438137012
Energy: 1.1037164565812823
Energy: 1.2653237982829684
Energy: 1.1189859938829037
Energy: 1.1100424523134713
Energy: 1.1210539764508112
Energy: 1.1013593528546404
Energy: 1.160861852803791
Energy: 1.2975930835359368
Energy: 1.1145095168131127
Energy: 1.1163937175085987
Energy: 1.110604656416675
Energy: 1.1140613231851126
Energy: 1.1278376378325603
Energy: 1.267074718922239
Energy: 1.1049522833622192
Energy: 1.1038110039706404
Energy: 1.125949086336373
Energy: 1.1528119334814444
Energy: 1.1104281875002133
Energy: 1.6058782595577454
Energy: 1.1069390210680443
Energy: 1.1367335466545339
Energy: 1.116729475478558
Energy: 1.1261007687409739
Energy: 1.0996949666158955
Energy: 1.6816802534232667
Energy: 1.1241211055662803
Energy: 1.1106487658376651
Energy: 1.1076369176734409
Energy: 1.1070532700415063
Energy: 1.1213390620716164
Energy: 1.665505031228845
Energy: 1.1236821319284365
Energy: 1.1229721701083832
Energy: 1.1418374837609422
Energy: 1.1073830356619911
Energy: 1.1314774123343039
Energy: 1.5528992661564829
Energy: 1.1115520667336733
Energy: 1.1335065346436615
Energy: 1.1538906928048804
Energy: 1.1148433819455463
Energy: 1.1060583879689547
Energy: 1.9156007358263818
Energy: 1.1167860833848087
Energy: 1.1042247664374456
Energy: 1.098134524313371
Energy: 1.1036461969403726
Energy: 1.12275706020958
Energy: 1.5357657298938538
Energy: 1.1004081177396081
Energy: 1.1056562408159978
Energy: 1.1440076501353595
Energy: 1.1247100057965853
Energy: 1.1198194526112515
Energy: 1.895535330539588
Energy: 1.1111339830787703
Energy: 1.1145645074186712
Energy: 1.2008738609211762
Energy: 1.114572674698722
Energy: 1.1256807685991874
Energy: 2.0119275535185275
Energy: 1.102907451631531
Energy: 1.117919107649469
Energy: 1.1539728741458157
Energy: 1.1152160167702794
Energy: 1.1021151365484614
Energy: 1.9783190727130886
Energy: 1.0632255339333436
Energy: 1.0977787572201867
Energy: 1.1193700921361773
Energy: 1.054616541502837
Energy: 1.106014979739045
Energy: 1.9458744367111869
Energy: 1.064463835896073
Energy: 1.063506033681188
Energy: 1.0199893994234448
Energy: 1.0540254669207614
Energy: 1.0582384472277317
Energy: 2.020643223178436
Energy: 1.1044182883119835
Energy: 1.0527423480918743
Energy: 1.0297662110066128
Energy: 1.0504645983989205
Energy: 1.1057351187660713
Energy: 1.8923035609355625
Energy: 1.0263199803518832
Energy: 0.9519238423568097
Energy: 0.9690946986350947
Energy: 0.9505342634615589
Energy: 1.094114285216869
Energy: 1.8652190306592076
Energy: 0.9387326904659743
Energy: 0.8873327364774924
Energy: 0.8877867324677416
Energy: 0.941727543940794
Energy: 1.1193595883044745
Energy: 2.051067451708772
Energy: 1.0959019588362227
Energy: 0.9494243959667549
Energy: 0.9048408368712139
Energy: 0.9495196358347693
Energy: 1.0982176207372087
Energy: 2.0570112895010157
Energy: 1.0642421184115682
Energy: 0.9571684842334789
Energy: 0.9010543193510077
Energy: 1.061743967657076
Energy: 1.0958262661256317
Energy: 2.2033746207236935
Energy: 0.9445768950727593
Energy: 0.9629369070970268
Energy: 0.901665025243166
Energy: 0.9426617177209409
Energy: 1.0942996486203835

minimum gb energy = 0.886520348439858 eV
minimum distance =  2.25647060894687 Angstroms
sigma value = 67


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

Energy: 0.25506617117277336
Energy: 0.2557093960177814
Energy: 0.4948798222882912
Energy: 0.49529781840061915
Energy: 0.4938202875678502
Energy: 0.25533452768700327
Energy: 0.34888826663251044
Energy: 0.40251037562847963
Energy: 0.40992482976496397
Energy: 0.4107842558096139
Energy: 0.40893128933526124
Energy: 0.4026923240128676
Energy: 1.4316037289491401
Energy: 0.4144330756608522
Energy: 0.41477424595420526
Energy: 0.41496114320692595
Energy: 0.41349998170211466
Energy: 0.4145876479668083
Energy: 0.2662381884623316
Energy: 0.4143027319946303
Energy: 0.4146437367221775
Energy: 0.4114098266053525
Energy: 0.41346329626127776
Energy: 0.2663289938495746
Energy: 0.2663003362172721
Energy: 0.4141954845010048
Energy: 0.4141650420544755
Energy: 0.4150620558105942
Energy: 0.41335044708056706
Energy: 0.26633461098889105
Energy: 1.4319713113937986
Energy: 0.4141964091060851
Energy: 0.4110963968695625
Energy: 1.4167790734562942
Energy: 0.4134158694665969
Energy: 0.4147339346658135
Energy: 0.2628483178459972
Energy: 0.4103434884768416
Energy: 0.4106250393028588
Energy: 0.4137904092479664
Energy: 0.4094640926220524
Energy: 0.41043044442775733

minimum gb energy = 0.25506617117277336 eV
minimum distance =  2.43498550322979 Angstroms
sigma value = 3


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

Energy: 2.4884242609027982
Energy: 1.160698381392936
Energy: 1.142408194488844
Energy: 0.9914489274862578
Energy: 1.0869724718299996
Energy: 1.159462124500245
Energy: 2.34709192504311
Energy: 1.0085888041301099
Energy: 0.8636860583093565
Energy: 0.8614381667087159
Energy: 0.9544730236278632
Energy: 1.101111639072884
Energy: 1.9815912420398483
Energy: 1.073513460185575
Energy: 0.867205703281975
Energy: 0.8676683860617751
Energy: 0.856228535931565
Energy: 1.0790496356406851
Energy: 1.7456746428741863
Energy: 0.962977321514467
Energy: 0.9233329804018504
Energy: 0.854389338173487
Energy: 0.9903696049735577
Energy: 1.0661382071452115
Energy: 1.9023667261504997
Energy: 0.9640739981827191
Energy: 0.9436846150037279
Energy: 0.9621663959920385
Energy: 0.9489122505072012
Energy: 1.0650893108636317
Energy: 1.685211866095875
Energy: 1.0640534732381752
Energy: 0.960783338450931
Energy: 0.9671679544797275
Energy: 0.9603821664692597
Energy: 1.1675008928991863
Energy: 1.84027963989047
Energy: 1.0720656051818764
Energy: 0.9782015590848893
Energy: 0.9597083647479621
Energy: 1.0641549587031673
Energy: 1.1092540684351586
Energy: 2.033800658544902
Energy: 1.165586937668276
Energy: 1.092802830560698
Energy: 0.9813729945096369
Energy: 1.069181802152935
Energy: 1.1365183319993912
Energy: 1.988769543436983
Energy: 1.0853488860463738
Energy: 1.0766894970395244
Energy: 1.0405666473505326
Energy: 1.0752646133556474
Energy: 1.1001685951914146
Energy: 1.6657264444518298
Energy: 1.1445377534190124
Energy: 1.0772670961304562
Energy: 1.0815446988846167
Energy: 1.0956980807017782
Energy: 1.1274230917104548
Energy: 1.5973167500245353
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Energy: 1.1083136817852997
Energy: 1.219413284643126
Energy: 1.113984833978855
Energy: 1.1245781762921818
Energy: 1.5932534715101947
Energy: 1.1141096510348538
Energy: 1.1094147661303784
Energy: 1.1050672936749084
Energy: 1.115254134813218
Energy: 1.1388617723215233
Energy: 1.823039253890302
Energy: 1.1195650168111417
Energy: 1.1168477407093853
Energy: 1.114781405837075
Energy: 1.1222261447676842
Energy: 1.1359438033856688
Energy: 1.8525505292101405
Energy: 1.1275729477609844
Energy: 1.127153688279032
Energy: 1.122602962292131
Energy: 1.117366093907507
Energy: 1.1529085290984071
Energy: 1.7263311447090643
Energy: 1.1379128529079579
Energy: 1.162212113522864
Energy: 1.2374009419991367
Energy: 1.1425411293936274
Energy: 1.1298575079328943
Energy: 1.4957700940341072
Energy: 1.1792392648179222
Energy: 1.1500386875467226
Energy: 1.105304461358059
Energy: 1.1313437345100879
Energy: 1.1264624402008896
Energy: 1.5010638865167474
Energy: 1.114678740865136
Energy: 1.1207451304718692
Energy: 1.1469981851093238
Energy: 1.1215713555706917
Energy: 1.111725578170244
Energy: 1.3729136607312822
Energy: 1.1101944688844783
Energy: 1.1162029034661496
Energy: 1.1684826713697494
Energy: 1.1263549877128844
Energy: 1.1114559104722903
Energy: 1.5088282055195725
Energy: 1.1119872026938957
Energy: 1.1206728857225228
Energy: 1.1159589981658995
Energy: 1.1059718954724786
Energy: 1.107103462346042
Energy: 1.2270528798267974
Energy: 1.107890194742271
Energy: 1.126454673374884
Energy: 1.1254194730230154
Energy: 1.1384414309423856
Energy: 1.0628483321886637
Energy: 1.2433836540979502
Energy: 1.0707967258274869
Energy: 1.1212186891961182
Energy: 1.131709641285137
Energy: 1.116925364104772
Energy: 1.0421613975700155
Energy: 1.2966240043668216
Energy: 1.0540942068133088
Energy: 1.094143961323514
Energy: 1.1390154820008862
Energy: 1.051530550786008
Energy: 1.0494776319837091
Energy: 1.024521754166433
Energy: 1.1834088818858937
Energy: 1.1821686713520059
Energy: 1.177376097830683
Energy: 1.0382664567268807
Energy: 1.0433675662480058
Energy: 1.0277068875996975
Energy: 1.0200511541464796
Energy: 1.0908666248024392
Energy: 1.161130517019274
Energy: 1.0633786810280808
Energy: 1.0028961273605899
Energy: 1.0551133344377992
Energy: 0.9898478407981584
Energy: 1.0763135499084449
Energy: 1.1376165556732754
Energy: 1.0441806602440435
Energy: 1.0021382862738852
Energy: 1.0308256648950236
Energy: 1.0597460451469303
Energy: 1.0517083018703595
Energy: 1.1280306158054205
Energy: 1.1204527149024097
Energy: 0.9930275431304241
Energy: 0.9148162580299511
Energy: 1.0517717960941928
Energy: 1.0495594665438328
Energy: 1.1207787993789042
Energy: 1.0370503572331513
Energy: 0.899309638000437
Energy: 0.9168115491836698
Energy: 0.8981538775079224
Energy: 1.0517875752567367
Energy: 1.1391849091249153
Energy: 1.0502974107848246
Energy: 0.897554960585989
Energy: 0.9126977669410515
Energy: 0.9427166672985002
Energy: 1.075756293259049
Energy: 1.1383664011176138
Energy: 0.9502379257924408
Energy: 0.912367397403138
Energy: 0.9087681524057268
Energy: 0.9290422355856733
Energy: 1.160291894597644
Energy: 1.1170319790713101
Energy: 0.9156672933341903
Energy: 1.1525951191684976
Energy: 1.0201871877469975
Energy: 0.9360617482808173
Energy: 1.088460111671984
Energy: 1.1269374297280428
Energy: 0.9218561965619215
Energy: 0.9343815241711031
Energy: 0.9753246215487975
Energy: 0.9464807635473792
Energy: 1.0831094575028484
Energy: 1.1458522590144626
Energy: 1.0554185382625068
Energy: 0.9184485718325749
Energy: 0.9815558271379757
Energy: 1.0545520951147997
Energy: 1.0768816234349443
Energy: 1.1671416974747142
Energy: 1.0645010131763895
Energy: 0.9494213464147844
Energy: 1.2480097401644785
Energy: 1.0658242062307886
Energy: 1.0877452316413565
Energy: 1.1615909318544222
Energy: 1.0711776079251492
Energy: 1.0619516498109782
Energy: 1.248551906577052
Energy: 1.079611676749439
Energy: 1.0959977599662294
Energy: 1.159150076186152
Energy: 1.0791335376731457
Energy: 1.0639168046903131
Energy: 1.2141119138112604
Energy: 1.085382877741127
Energy: 1.124381027475501
Energy: 1.1519862257412161
Energy: 1.1183660700541895
Energy: 1.072830392121386
Energy: 1.23972540246353
Energy: 1.1140394624900596
Energy: 1.1567309652982356
Energy: 1.130886976649825
Energy: 1.1289263877355526
Energy: 1.141283256167022
Energy: 1.4953158344183437
Energy: 1.1193641395277159
Energy: 1.145959749313531
Energy: 1.3979258562103558
Energy: 1.1445655225010507
Energy: 1.1156187797202004
Energy: 1.502822747903039
Energy: 1.1168891199598667
Energy: 1.1334215075472196
Energy: 1.1217918367685193
Energy: 1.1155652076130655
Energy: 1.1130413897060207
Energy: 1.5052131869853658
Energy: 1.124703166738118
Energy: 1.1458404172842418
Energy: 1.1455314829385141
Energy: 1.1291305980150135
Energy: 1.163970613494518
Energy: 1.4243942528972589
Energy: 1.1342113219242802
Energy: 1.1335294340928637
Energy: 1.140105358313268
Energy: 1.1311930264380279
Energy: 1.1311700413811852
Energy: 1.6077643972275975
Energy: 1.1278466386592911
Energy: 1.1314626551467173
Energy: 1.1183438047483438
Energy: 1.127271845627999
Energy: 1.1501874446693157
Energy: 1.822209769014477
Energy: 1.1259526928231647
Energy: 1.1146191030851815
Energy: 1.1035133799429737
Energy: 1.1183913697138659
Energy: 1.1348002898589857
Energy: 1.8190009567788346
Energy: 1.1285801309492678
Energy: 1.1156471452634358
Energy: 1.1041827386739498
Energy: 1.11568810219326
Energy: 1.1352921887610332
Energy: 2.129619151336028
Energy: 1.1814588447858847
Energy: 1.1525263890086967
Energy: 1.2230571761818523
Energy: 1.1565431351469249
Energy: 1.1829063490351206
Energy: 1.6681296824824035
Energy: 1.137546975142857
Energy: 1.079527967990176
Energy: 1.085859835336999
Energy: 1.107901320549734
Energy: 1.1255624721839297
Energy: 1.8421535322280607
Energy: 1.0825948906030143
Energy: 1.0785910322706935
Energy: 1.069596563892831
Energy: 1.0885197773395607
Energy: 1.1323277759316963
Energy: 1.7191171765276971
Energy: 1.08982675699563
Energy: 1.0763043717839154
Energy: 1.0834664348859115
Energy: 1.0790603037792965
Energy: 1.1382682410174987
Energy: 1.745324794379859
Energy: 1.0879461251973293
Energy: 1.0039869118220215
Energy: 0.9696874332974691
Energy: 1.0807742302847858
Energy: 1.169577322649791
Energy: 1.8890824509906345
Energy: 1.080209243899756
Energy: 0.9523507883261354
Energy: 0.9630626643747557
Energy: 0.9560143688846973
Energy: 1.089223108758498
Energy: 2.0034322936837086
Energy: 1.0059939010243537
Energy: 0.9504021712606112
Energy: 0.9539892104696411
Energy: 0.9527893003311472
Energy: 1.1008701498182072

minimum gb energy = 0.854389338173487 eV
minimum distance =  2.25185416334504 Angstroms
sigma value = 81


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

Energy: 2.5394246970402317
Energy: 1.195037745529965
Energy: 1.2212849907229262
Energy: 1.0972039213941922
Energy: 1.2351634745390347
Energy: 1.2936278000937467
Energy: 1.6529892076329575
Energy: 1.1972519084006266
Energy: 0.9419181623201048
Energy: 0.9427512248331116
Energy: 1.0915208699986227
Energy: 1.2376302861597814
Energy: 1.2576163478183937
Energy: 1.2074922751862782
Energy: 0.9498213556180407
Energy: 0.9490199187699382
Energy: 0.9512723114100382
Energy: 1.2475845192818142
Energy: 1.7402325904752423
Energy: 1.0840578791882487
Energy: 0.9411491299526843
Energy: 0.9435783182092683
Energy: 1.0719081448771064
Energy: 1.2288562276038575
Energy: 1.7386677078808372
Energy: 1.071372451669947
Energy: 1.0665481802264027
Energy: 1.116425172263098
Energy: 1.0677108759923892
Energy: 1.239099850294968
Energy: 1.9744583251361385
Energy: 1.221076364242106
Energy: 1.0909391711648853
Energy: 1.084367734930808
Energy: 1.1488441630378514
Energy: 1.27977528840127
Energy: 1.2593733740690625
Energy: 1.2292243895756998
Energy: 1.082875319014935
Energy: 1.0985837789341975
Energy: 1.2333408072945986
Energy: 1.2310810429384782
Energy: 1.9443547467171294
Energy: 1.3181106762866253
Energy: 1.2769394690207552
Energy: 1.107056026959323
Energy: 1.2758097143754996
Energy: 1.265793129221612
Energy: 1.4858034674839962
Energy: 1.2476308893679333
Energy: 1.234246414472316
Energy: 1.1669916422881113
Energy: 1.2426630831279832
Energy: 1.2492397171674627
Energy: 1.6660524817780036
Energy: 1.3119969846993536
Energy: 1.2335424801429136
Energy: 1.2540292229625196
Energy: 1.237053170457661
Energy: 1.2670803149264471
Energy: 1.3027355289919353
Energy: 1.2720740991583777
Energy: 1.3051224817670626
Energy: 1.445568882771873
Energy: 1.274643662821205
Energy: 1.2673058378110633
Energy: 1.3026639472842734
Energy: 1.2818851047531523
Energy: 1.264772010850616
Energy: 1.255612524725515
Energy: 1.2668083177988507
Energy: 1.2642102042790204
Energy: 1.4508089007225728
Energy: 1.3053607686092938
Energy: 1.2611862899750075
Energy: 1.2667309892858567
Energy: 1.2642378364491842
Energy: 1.2343144220847273
Energy: 1.4557094565656696
Energy: 1.2288021076693036
Energy: 1.2765527819625062
Energy: 1.2880965490220857
Energy: 1.2775573700738536
Energy: 1.230356175816237
Energy: 1.582771298321633
Energy: 1.2376601896362687
Energy: 1.2545297711257117
Energy: 1.2893335741960226
Energy: 1.2411820311499149
Energy: 1.2486766336486201
Energy: 1.1263764671135181
Energy: 1.2746934978557085
Energy: 1.3192809862141541
Energy: 1.2290171185776135
Energy: 1.2340854826884906
Energy: 1.1270924987637063
Energy: 1.0968863650781677
Energy: 1.0850663766071829
Energy: 1.228785479416746
Energy: 1.2623281454912083
Energy: 1.2282346617352267
Energy: 1.0757567057692456
Energy: 1.1208049849800075
Energy: 1.0766425691586228
Energy: 1.2542828226052414
Energy: 1.323021240046629
Energy: 1.2041331237683672
Energy: 1.0844701446192822
Energy: 1.0988618519848457
Energy: 1.0712657721821848
Energy: 1.1915225699352607
Energy: 1.2652264732569656
Energy: 1.0712728391757493
Energy: 1.0698904250880297
Energy: 0.9417393691879414
Energy: 0.942061030837238
Energy: 1.2012227314262127
Energy: 1.2833164320638004
Energy: 1.0717270092902829
Energy: 0.9425519293786369
Energy: 0.9472659898528716
Energy: 0.9502534922272107
Energy: 1.2169091170186612
Energy: 1.2824521012525287
Energy: 1.2012175118730084
Energy: 0.9577160258674926
Energy: 0.9509169074835974
Energy: 0.9506289222776108
Energy: 1.2100548379090377
Energy: 1.2699992871500578
Energy: 1.0877342792269562
Energy: 0.9492936058922934
Energy: 1.1041405347317477
Energy: 1.1197305801932467
Energy: 1.2487154287866937
Energy: 1.2374655894965263
Energy: 1.2704715962418511
Energy: 1.0986227339184047
Energy: 1.136022935431321
Energy: 1.0872794099609613
Energy: 1.2274642558836186
Energy: 1.3039299148709096
Energy: 1.0882109544203105
Energy: 1.079961222346217
Energy: 1.1069313343511025
Energy: 1.0672250433028752
Energy: 1.2504297049228155
Energy: 1.3336330090066713
Energy: 1.2332082170779675
Energy: 1.0680307998387988
Energy: 1.100980670270216
Energy: 1.109610562348717
Energy: 1.231238695666559
Energy: 1.2569677696083135
Energy: 1.2276609184593377
Energy: 1.0847964626870288
Energy: 1.280061469045482
Energy: 1.2366186160951176
Energy: 1.23605220956704
Energy: 1.270142008130637
Energy: 1.2269996066474895
Energy: 1.2315877701626017
Energy: 1.2992633521117005
Energy: 1.2310180861995708
Energy: 1.2994367129152729
Energy: 1.4650485984058825
Energy: 1.245366061372909
Energy: 1.2323399679048979
Energy: 1.2660083387456895
Energy: 1.2475255232369293
Energy: 1.2653282037536933
Energy: 1.293073130264853
Energy: 1.2806187460864011
Energy: 1.237960933030937
Energy: 1.4961660460213464
Energy: 1.2820082124894803
Energy: 1.3055964859916755
Energy: 1.2271104095003604
Energy: 1.2869464134898965
Energy: 1.2859472075168719
Energy: 1.7745650495426655
Energy: 1.2730051154899993
Energy: 1.260384792411824
Energy: 1.2760143350445476
Energy: 1.2680705534843
Energy: 1.265238722724974
Energy: 1.8126368093123881
Energy: 1.263261621548941
Energy: 1.2371044411438452
Energy: 1.4262595537586755
Energy: 1.2565303001972006
Energy: 1.2884686818726847
Energy: 1.6418021518022352
Energy: 1.2710459932550346
Energy: 1.2297266658883999
Energy: 1.2215067176617604
Energy: 1.2713137240908918
Energy: 1.270262358174642
Energy: 1.7369875788733495
Energy: 1.2287286909725155
Energy: 1.2243700702979656
Energy: 1.422963076501968
Energy: 1.2308610129871773
Energy: 1.2628380097961571
Energy: 1.2544813598083764
Energy: 1.2286944124904124
Energy: 1.0877421084400387
Energy: 1.1046671963457841
Energy: 1.231521429247217
Energy: 1.324259285390668
Energy: 1.7121223130441976
Energy: 1.2371193368000326
Energy: 1.0764225156265186
Energy: 1.0881843086712069
Energy: 1.0825184456856722
Energy: 1.2502220538436388
Energy: 1.2719778329212532
Energy: 1.2121999754137396
Energy: 1.0885802709754124
Energy: 1.0852769447056212
Energy: 1.0867143838017592
Energy: 1.2561755406049582
Energy: 1.650890388387158
Energy: 1.0729488423058167
Energy: 1.0694564722123294
Energy: 0.9485292608222265
Energy: 1.0711281837790483
Energy: 1.302156241339051

minimum gb energy = 0.9411491299526843 eV
minimum distance =  2.27639939498063 Angstroms
sigma value = 43


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

Energy: 2.0514884545070995
Energy: 1.3380317163030737
Energy: 1.4030522793192932
Energy: 1.1982062710794865
Energy: 1.3447775026284596
Energy: 1.3932430073968107
Energy: 1.4003232494964533
Energy: 1.3098741728165746
Energy: 1.0049894185335078
Energy: 1.0011558961586389
Energy: 1.1797899014999553
Energy: 1.339954652632602
Energy: 1.4081247223707067
Energy: 1.3105155623212763
Energy: 1.0114873214237061
Energy: 1.010103879907548
Energy: 1.0117131933203107
Energy: 1.3887047570672924
Energy: 1.4744710229145945
Energy: 1.177746216391598
Energy: 1.0021803516937728
Energy: 1.0050645639596658
Energy: 1.0018167908472495
Energy: 1.3535184933356217
Energy: 1.4377535642984915
Energy: 1.1624204058004037
Energy: 1.157599101953712
Energy: 1.2063570361732776
Energy: 1.1582659996578148
Energy: 1.3452252943605614
Energy: 1.4114044332968403
Energy: 1.34483591332126
Energy: 1.2274943489981596
Energy: 1.160884501817142
Energy: 1.2690732391970627
Energy: 1.393352931767714
Energy: 1.4248298947083307
Energy: 1.3614879736180867
Energy: 1.1661889734391202
Energy: 1.229454971781514
Energy: 1.348025718557672
Energy: 1.3400810546407746
Energy: 1.4545728109960414
Energy: 1.379447260606309
Energy: 1.4138033896881805
Energy: 1.2044862083669676
Energy: 1.3773272421232556
Energy: 1.3743298962700266
Energy: 1.4110727262178484
Energy: 1.3590476359271237
Energy: 1.3401424516246925
Energy: 1.2887277881330972
Energy: 1.3475847260270206
Energy: 1.4240900217939347
Energy: 1.4132563996312775
Energy: 1.3629597182173465
Energy: 1.3387619914416824
Energy: 1.4616082799751147
Energy: 1.3454722038267157
Energy: 1.3482584213942919
Energy: 1.7593257347446944
Energy: 1.3815715703016436
Energy: 1.3592601226425614
Energy: 1.4209956098821008
Energy: 1.3882996724385341
Energy: 1.340246719967743
Energy: 1.470937994644347
Energy: 1.3455231247684043
Energy: 1.3408583281827129
Energy: 1.4352784568005428
Energy: 1.3411024912785723
Energy: 1.3413008383012355
Energy: 1.2182124923396342
Energy: 1.2362691953682627
Energy: 1.3860837205592336
Energy: 1.3584973318557512
Energy: 1.3372865910089977
Energy: 1.169105365983703
Energy: 1.2306114458821769
Energy: 1.1615083707341536
Energy: 1.3560635241968295
Energy: 1.3382815819410692
Energy: 1.34789073354031
Energy: 1.1629261341616244
Energy: 1.2329809039855777
Energy: 1.1636308808801237
Energy: 1.3531100484982277
Energy: 1.3602415366163882
Energy: 1.1777741149321097
Energy: 1.1721139899999582
Energy: 1.0120170714116175
Energy: 1.1692218429602848
Energy: 1.307684781910192
Energy: 1.3285546910399042
Energy: 1.1623079525478304
Energy: 1.0107304236916796
Energy: 1.000914059444004
Energy: 0.9991773133670617
Energy: 1.32873588593509
Energy: 1.312997553528605
Energy: 1.1635711118353207
Energy: 0.9995396930089585
Energy: 1.010428204410088
Energy: 1.0046569528284817
Energy: 1.3382885758406982
Energy: 1.3569328943829961
Energy: 1.173965614533871
Energy: 1.0133634339915745
Energy: 1.0029068120889675
Energy: 1.0014471973177577
Energy: 1.1636412074414708
Energy: 1.3537161722286504
Energy: 1.1568941565220665
Energy: 1.0016524646258653
Energy: 1.0177431592900017
Energy: 1.1581475992003325
Energy: 1.1641078588455027
Energy: 1.3509151038187734
Energy: 1.15388581448195
Energy: 1.1596367542098265
Energy: 1.2531966235656922
Energy: 1.2291734363312228
Energy: 1.3430974372760929
Energy: 1.3977951466054932
Energy: 1.1766839599288537
Energy: 1.184583158038901
Energy: 1.209483667062504
Energy: 1.163606186472299
Energy: 1.3404244241405485
Energy: 1.3883722008704025
Energy: 1.3439098826249225
Energy: 1.169884912944449
Energy: 1.2159036260032579
Energy: 1.4060821119227311
Energy: 1.3443074586138801
Energy: 1.324166303311826
Energy: 1.3570396041182733
Energy: 1.2404070202767343
Energy: 1.4601824507847272
Energy: 1.341412217439632
Energy: 1.3422772121990145
Energy: 1.3843637097727342
Energy: 1.3417550905325648
Energy: 1.352586273207889
Energy: 1.47890137069771
Energy: 1.3419762951129706
Energy: 1.3483466211582662
Energy: 1.3864105062144616
Energy: 1.3761087902086973
Energy: 1.3463627519737973
Energy: 1.4087515881590786
Energy: 1.41694346140265
Energy: 1.3482063326443494
Energy: 1.3402538222560985
Energy: 1.3782125035288484
Energy: 1.352373033900362
Energy: 1.3995502144806846
Energy: 1.3463341402928866
Energy: 1.3422956377919906
Energy: 1.342278816937385
Energy: 1.3369571974775392
Energy: 1.3461261297167382
Energy: 2.1657616937809414
Energy: 1.3511770418592532
Energy: 1.1753586915152183
Energy: 1.1797162466264433
Energy: 1.3480539061732382
Energy: 1.3978724515164724
Energy: 1.4701031547397057
Energy: 1.3513585517800266
Energy: 1.1638297131054183
Energy: 1.190641255234418
Energy: 1.1642994805455784
Energy: 1.356461695305129
Energy: 1.4153785433761414
Energy: 1.3277726799990859
Energy: 1.1831002085211715
Energy: 1.1630531504797001
Energy: 1.180631733282211
Energy: 1.3994718039381207
Energy: 2.0034997319896153
Energy: 1.160704690297737
Energy: 1.1668136035842316
Energy: 1.0107779448022285
Energy: 1.160687756757889
Energy: 1.3100974295836545

minimum gb energy = 0.9991773133670617 eV
minimum distance =  2.24170914129749 Angstroms
sigma value = 57


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

Energy: 1.8646411472458924
Energy: 1.5298969533004405
Energy: 1.3278956328567297
Energy: 1.319539412985125
Energy: 1.584126958288089
Energy: 1.4966901926525031
Energy: 1.0803832028951086
Energy: 1.3006680739563308
Energy: 1.0780146499666452
Energy: 1.0779724488220646
Energy: 1.079147886449245
Energy: 1.468846405098085
Energy: 1.3689855554570443
Energy: 1.2959455568744938
Energy: 1.0941825397483462
Energy: 1.0934681975043596
Energy: 1.0918580989772273
Energy: 1.564616913003908
Energy: 1.3992621709930488
Energy: 1.2760316652378583
Energy: 1.0809300543273193
Energy: 1.083767300857892
Energy: 1.0807944202794897
Energy: 1.5360159560372268
Energy: 1.3986271035316948
Energy: 1.2741436050322148
Energy: 1.2832208913144296
Energy: 1.108344133221321
Energy: 1.2789825717132846
Energy: 1.4964932782262474
Energy: 1.3721887714823995
Energy: 1.5106615322505668
Energy: 1.2945726745673707
Energy: 1.3976613578189323
Energy: 1.3840270088472177
Energy: 1.4966701699994702
Energy: 1.0977509243897183
Energy: 1.5130208997791057
Energy: 1.2847536494064506
Energy: 1.0917067406590049
Energy: 1.4758298170932271
Energy: 1.4717081757698027
Energy: 1.3753602664407834
Energy: 1.47875770563827
Energy: 1.5155755449575365
Energy: 1.09442675868895
Energy: 1.517952927988477
Energy: 1.5332446550897882
Energy: 1.0948166545637055
Energy: 1.5124392946740473
Energy: 1.462123795692555
Energy: 1.4414693614825982
Energy: 1.4770314355447014
Energy: 1.3522206617773245
Energy: 1.0935454444065627
Energy: 1.2961128015745114
Energy: 1.4690805556270266
Energy: 1.4379535582504166
Energy: 1.4703058139058198
Energy: 1.2850200530498193
Energy: 1.4007341592591716
Energy: 1.2853785769740569
Energy: 1.509957226544422
Energy: 1.2944596744905796
Energy: 1.5424905228266093
Energy: 1.2871694619725487
Energy: 1.1066219557283938
Energy: 1.2805403082162687
Energy: 1.286763782427418
Energy: 1.075505429673365
Energy: 1.2869334608865068
Energy: 1.2840976323326716
Energy: 1.0863262348611722
Energy: 1.0822848353182255
Energy: 1.4542400861637095
Energy: 1.4596093779907504
Energy: 1.2789914962586584
Energy: 1.0796104946190976
Energy: 1.0932657865171205
Energy: 1.0791215510643497
Energy: 1.5110187839259814
Energy: 1.6151279840576622
Energy: 1.301361562992367
Energy: 1.088829445517543
Energy: 1.0852213613181396
Energy: 1.089861407708815
Energy: 1.4778566722883522
Energy: 1.2706256232173765
Energy: 1.2869317552423618
Energy: 1.0904222583784589
Energy: 1.321421562460075
Energy: 1.0811561484177612
Energy: 1.5065901063861276
Energy: 1.3207889534281723
Energy: 1.283257198855789
Energy: 1.0812503762386807
Energy: 1.3972070193954358
Energy: 1.2800833128448281
Energy: 1.300336176006897
Energy: 1.2836421549614967
Energy: 1.358992715788689
Energy: 1.2798989490632007
Energy: 1.1072258918529152
Energy: 1.2806349066906957
Energy: 1.4940277753868032
Energy: 1.361068001004841
Energy: 1.534674970198961
Energy: 1.2812871013329739
Energy: 1.0895108946406806
Energy: 1.3012015156651426
Energy: 1.466771472637963
Energy: 1.2667963762347398
Energy: 1.515452964376646
Energy: 1.290308062493558
Energy: 1.1006709389088103
Energy: 1.4971827867384795
Energy: 1.4677003260504156
Energy: 1.5141092855375744
Energy: 1.4646966506901309
Energy: 1.4922292876130958
Energy: 1.7416679722723343
Energy: 1.4733518247542599
Energy: 1.357757140438512
Energy: 1.3933817250890468
Energy: 1.5153477823991828
Energy: 1.486890474739525
Energy: 1.0907227931673684
Energy: 1.4779790835184958
Energy: 1.2828779954089424
Energy: 1.2817698200971206
Energy: 1.2830775255307605
Energy: 1.4935187738628461
Energy: 1.6856546812631545
Energy: 1.4808143098261577
Energy: 1.319455960970288
Energy: 1.2824418011368819
Energy: 1.3183177375358166
Energy: 1.4997760797898578
Energy: 1.0711744950271433
Energy: 1.279952314725977
Energy: 1.3112978201639869
Energy: 1.0925946507148412
Energy: 1.2887724931986548
Energy: 1.5046030489089213

minimum gb energy = 1.0711744950271433 eV
minimum distance =  2.29480380922958 Angstroms
sigma value = 17


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

Energy: 2.757274660418345
Energy: 1.702706165300668
Energy: 1.4345511843447882
Energy: 1.3958329541540668
Energy: 1.6876839171378704
Energy: 1.7666605352661209
Energy: 1.4595011077884215
Energy: 1.5522382110774993
Energy: 1.2965279648229846
Energy: 1.2784450021007263
Energy: 1.2966789909517782
Energy: 1.7897491087513189
Energy: 1.6804313402783535
Energy: 1.4731192898821448
Energy: 1.2936783001169925
Energy: 1.2890524207966392
Energy: 1.2872258277534798
Energy: 1.5963377748639815
Energy: 1.4634969791520727
Energy: 1.4147375912139304
Energy: 1.2931058142897613
Energy: 1.284343743241313
Energy: 1.36981758816313
Energy: 1.3812163092506518
Energy: 1.4607015128631453
Energy: 1.40318123378971
Energy: 1.4444034819913305
Energy: 1.1522214631613146
Energy: 1.4519161310216573
Energy: 1.3875829975114284
Energy: 1.3936293761458387
Energy: 1.3739955430817075
Energy: 1.4647828053616396
Energy: 1.343558116563268
Energy: 1.4855238875169812
Energy: 1.543986816104122
Energy: 1.4049567441784054
Energy: 1.546831883288879
Energy: 1.561110811379067
Energy: 1.154973126354028
Energy: 1.4116977833820445
Energy: 1.5457015791915416
Energy: 1.932131820583403
Energy: 1.5320338085046221
Energy: 1.6333199358524138
Energy: 1.1530192754891109
Energy: 1.6410746045690028
Energy: 1.537691009628669
Energy: 1.3590816000649812
Energy: 1.634417306045854
Energy: 1.6280732927465407
Energy: 1.71129275537814
Energy: 1.628527671962846
Energy: 1.3560771097362108
Energy: 1.386216513680345
Energy: 1.3008044187802512
Energy: 1.6474190048556125
Energy: 1.5997166006338557
Energy: 1.6384330807606025
Energy: 1.3173997476854589
Energy: 1.4147699811506778
Energy: 1.3140567216701444
Energy: 1.6376502161967896
Energy: 1.1548475088439036
Energy: 1.3014049811317863
Energy: 1.2987521213010085
Energy: 1.400484164644327
Energy: 1.311709279235454
Energy: 1.5668319218479405
Energy: 1.7148193203923838
Energy: 1.3077173668756328
Energy: 1.3036387794738533
Energy: 1.3949202617807648
Energy: 1.3834305935523725
Energy: 1.480579569554434
Energy: 1.6458416274660477
Energy: 1.5004005889201633
Energy: 1.3070355254376824
Energy: 1.435233898267573
Energy: 1.3388444006333584
Energy: 1.431007208460821
Energy: 1.1583147991720404
Energy: 1.335318763818822
Energy: 1.3634165297209437
Energy: 1.6715613964231555
Energy: 1.4575356909095685
Energy: 1.5409889252443978
Energy: 1.3057529058006274
Energy: 1.5363231492361857
Energy: 1.3412461596107665
Energy: 1.4223356139570495
Energy: 1.7203187900450607
Energy: 1.5895803560339996
Energy: 1.56005166048185
Energy: 1.562623832254981
Energy: 1.6092345405309019
Energy: 1.465238823118047
Energy: 1.54687354582569
Energy: 1.5516627865597359
Energy: 1.3352371597104362
Energy: 1.5849253125950955
Energy: 1.6650415553133546

minimum gb energy = 1.1522214631613146 eV
minimum distance =  2.24096722470219 Angstroms
sigma value = 17


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

Energy: 2.7047116758113523
Energy: 1.5392303252305637
Energy: 1.4785270598061793
Energy: 1.439433800856667
Energy: 1.7865642251761285
Energy: 1.8466377732804196
Energy: 1.4066323517306247
Energy: 1.4236502654108474
Energy: 1.2298538163119528
Energy: 1.2267397648347766
Energy: 1.2312946208429334
Energy: 1.5873248895959131
Energy: 1.390931386625404
Energy: 1.7368623578144908
Energy: 1.232209227229733
Energy: 1.2265910389559727
Energy: 1.236482372427817
Energy: 1.745757701167025
Energy: 1.900589645495631
Energy: 1.6789725663288804
Energy: 1.227384902232047
Energy: 1.2305503763662051
Energy: 1.7043981059319906
Energy: 1.7001529133701878
Energy: 1.4015214604831743
Energy: 1.6804100709849101
Energy: 1.702785984443529
Energy: 1.3538868312101735
Energy: 1.6854279252233935
Energy: 1.5814932844115426
Energy: 1.2472056178520619
Energy: 1.3238385067515974
Energy: 1.6708022636428754
Energy: 1.179196322646963
Energy: 1.6897181290411942
Energy: 1.2286265911670349
Energy: 1.2385536093779632
Energy: 1.2472021374381608
Energy: 1.710299799845829
Energy: 1.6952055311560794
Energy: 1.7110606605975507
Energy: 1.2471634840794914
Energy: 1.234992310960815
Energy: 1.2300117140940239
Energy: 1.390964293586603
Energy: 1.2498067028499593
Energy: 1.3878553651767758
Energy: 1.2406456099762087
Energy: 1.257191172981387
Energy: 1.2335421891500795
Energy: 1.645245672603004
Energy: 1.6379992161706862
Energy: 1.4356793563745363
Energy: 1.244705296459607
Energy: 1.4761548502533013
Energy: 1.4375125603626644
Energy: 1.4137326099415912
Energy: 1.4496334904114352
Energy: 1.4545089401388358
Energy: 1.24044586292957
Energy: 1.4820216923969902
Energy: 1.3913601684690278
Energy: 1.634071523715433
Energy: 1.4400803897565118
Energy: 1.237702179787525
Energy: 1.396174425931396
Energy: 1.489430434536784
Energy: 1.448328532897572
Energy: 1.6041114362368767
Energy: 1.17217267560641
Energy: 1.594070823903685
Energy: 1.2259507405224257
Energy: 1.363375553040267
Energy: 1.6314926295220802
Energy: 1.5865407860219563
Energy: 1.1751958017803412
Energy: 1.589243110898168
Energy: 1.3450962644313413
Energy: 2.1283084306872744
Energy: 1.7199883773282862
Energy: 1.1863421960587717
Energy: 1.1967107465503872
Energy: 1.5307399401987782
Energy: 1.701304985220305
Energy: 1.6073264267670586
Energy: 1.5984297019903062
Energy: 1.1748030341663231
Energy: 1.1739711173242968
Energy: 1.1775293644758005
Energy: 1.7395284162612328
Energy: 1.4146989821433449
Energy: 1.6053451655905189
Energy: 1.1775153246984698
Energy: 1.1713071133176336
Energy: 1.1776548790731765
Energy: 1.2116899467903
Energy: 1.4695060741824724
Energy: 1.6008056135127744
Energy: 1.174189004086259
Energy: 1.1747664635150112
Energy: 1.1744969603949247
Energy: 1.571333542498116
Energy: 1.4628787761280238
Energy: 1.6088513335378514
Energy: 1.3261498805982328
Energy: 1.4461871704018585
Energy: 1.6083180646209765
Energy: 1.6871727731680133
Energy: 1.5292989983943588
Energy: 1.5487003761113134
Energy: 1.6291670146431338
Energy: 1.4985350591840065
Energy: 1.631771983073417
Energy: 1.2304461458558267
Energy: 1.4800289428857505
Energy: 1.4197665957333498
Energy: 1.6192450640137306
Energy: 1.4601520563211774
Energy: 1.655886616497284
Energy: 1.40545234575223
Energy: 1.4933400655730626
Energy: 1.3953433867872531
Energy: 1.583511343695843
Energy: 1.4367236986900767
Energy: 1.429789414887601
Energy: 1.3968665568851673
Energy: 1.4915784710162052
Energy: 1.4333194623798113
Energy: 1.492867910824721
Energy: 1.5835724232274428
Energy: 1.2424328303070704
Energy: 1.4021080131180568
Energy: 1.2305577773856902
Energy: 1.2297926869912612
Energy: 1.4111249752438975
Energy: 1.1788346980141944
Energy: 1.5044218008107668
Energy: 1.2283830429834124
Energy: 1.2221919916390764
Energy: 1.2292391708941977
Energy: 1.7133997011142938
Energy: 1.256254332989013
Energy: 1.2331445021912022
Energy: 1.234225615868295
Energy: 1.2308782379508185
Energy: 1.2346235665278842
Energy: 1.6955900628311058
Energy: 1.3061090837590632
Energy: 1.6737614975850437
Energy: 1.229116600557363
Energy: 1.2526399286225367
Energy: 1.7386095570275033
Energy: 1.6753394512993904
Energy: 1.3244697062368864
Energy: 1.6840218911647016
Energy: 1.6055832989115555
Energy: 2.0959954238624356
Energy: 1.684220360460592
Energy: 1.7360641237398955
Energy: 1.243294757072072
Energy: 1.676938000226019
Energy: 1.6627733905504256
Energy: 1.210398514123285
Energy: 1.698653015004849
Energy: 1.2465279901316613
Energy: 1.2321775601040243
Energy: 1.2466171048043861
Energy: 1.683377122817697
Energy: 1.2434578114445576
Energy: 1.24632072376332
Energy: 1.229723702315083
Energy: 1.237993720619462
Energy: 1.2349968426639393
Energy: 1.4618573082790867
Energy: 1.78413024157104
Energy: 1.4251725973674463
Energy: 1.2439037528659949
Energy: 1.2291691638727635
Energy: 1.236241711511551
Energy: 1.6482565132010967
Energy: 1.9057958342792167
Energy: 1.4117584149082218
Energy: 1.2328773342668293
Energy: 1.5123858916221038
Energy: 1.4512961429286189
Energy: 1.6411892556156311
Energy: 1.347514447481129
Energy: 1.3923517323026986
Energy: 1.4017303027809538
Energy: 1.2421923084620965
Energy: 1.4202764514351567
Energy: 1.1889333992107058
Energy: 1.4429300526023574
Energy: 1.589725710742197
Energy: 1.4078427533637863
Energy: 1.486737999931145
Energy: 1.484702099143867
Energy: 1.3292908027505193
Energy: 1.8945723615981647
Energy: 1.622962788717665
Energy: 1.4998434716261193
Energy: 1.4765422680091478
Energy: 1.6316408796973478
Energy: 1.6308051933614691
Energy: 1.4501245543695462
Energy: 1.601215808371775
Energy: 1.7059889720782193
Energy: 1.1806176513907
Energy: 1.4458902892413432
Energy: 1.3305810423625632
Energy: 1.1797980756514073
Energy: 1.1761121515988127
Energy: 1.6142236661690537
Energy: 1.1987769550229792
Energy: 1.6259117663474199
Energy: 1.1741263316404358
Energy: 1.1769297966479375
Energy: 1.1788369077669971
Energy: 1.8163731257202869
Energy: 1.45200115144089
Energy: 1.178212276080806
Energy: 1.1792797800992416
Energy: 1.1727729022237923
Energy: 1.1769172284124927
Energy: 1.6159263289904593
Energy: 1.44457422683008
Energy: 1.6181136155352323
Energy: 1.175794500415159
Energy: 1.1976376336395516
Energy: 1.4959907008568567
Energy: 1.6834218396216603
Energy: 1.488495327379221
Energy: 1.6362678315783887
Energy: 1.3978942431711794
Energy: 1.6957468481101237
Energy: 1.5929633895903828
Energy: 1.6308335590472618
Energy: 1.5662735565015056
Energy: 1.5882045003350518
Energy: 1.5995382627349795
Energy: 1.4322629089985512
Energy: 1.5947113078693955
Energy: 1.439260812343841
Energy: 1.2329243062364688
Energy: 1.595614638812449
Energy: 1.5972021645741297
Energy: 1.4503688894151245
Energy: 1.62587370983912
Energy: 1.4011488028244194
Energy: 1.2272304193121928
Energy: 1.4112662694642482
Energy: 1.3667203574140498
Energy: 1.5692743745950184
Energy: 1.421911529566798
Energy: 1.4174215189356665
Energy: 1.23238067946801
Energy: 1.3894608701851798
Energy: 1.4970250013910118

minimum gb energy = 1.1713071133176336 eV
minimum distance =  2.21795753247582 Angstroms
sigma value = 57


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

Energy: 2.104573601356957
Energy: 1.9081054918427829
Energy: 1.4277652937201253
Energy: 1.422339554256391
Energy: 1.4190469915549948
Energy: 1.890004459972018
Energy: 1.46366749194285
Energy: 1.5018656713938243
Energy: 1.2277072983347426
Energy: 1.2231941147766974
Energy: 1.2281814321165856
Energy: 1.4075269091411686
Energy: 1.2609483656693476
Energy: 1.665106294482192
Energy: 1.228356853434949
Energy: 1.2273497395913662
Energy: 1.2286970842835618
Energy: 1.4183577880236562
Energy: 1.70708092432043
Energy: 1.6646777710085308
Energy: 1.2226251167253017
Energy: 1.2349027533823462
Energy: 1.4430313764585179
Energy: 1.7025236228479335
Energy: 1.8247802514170786
Energy: 1.6798056477287548
Energy: 1.6819683508045165
Energy: 1.7545892325067636
Energy: 1.667962383016279
Energy: 1.7071286084410153
Energy: 1.2472596798071667
Energy: 1.3963181385019692
Energy: 1.661014154376683
Energy: 1.1474406133456299
Energy: 1.7183028009140733
Energy: 1.2486074055512635
Energy: 1.228568016205459
Energy: 1.2368855809562658
Energy: 1.6928251960633696
Energy: 1.4865450737019041
Energy: 1.7291307551202109
Energy: 1.2398185265326882
Energy: 1.2452994851045394
Energy: 1.2351735816882825
Energy: 1.4817223395973311
Energy: 1.2247972809543761
Energy: 1.23762947413042
Energy: 1.237217475918524
Energy: 1.2766672061602216
Energy: 1.2347177765825519
Energy: 1.6863341166767263
Energy: 1.3735812387189192
Energy: 1.5194182772211922
Energy: 1.230607374078126
Energy: 1.5951037763456675
Energy: 1.545039269137086
Energy: 1.494907269332899
Energy: 1.302257817606536
Energy: 1.5086951765686047
Energy: 1.4792554930611013
Energy: 1.3385015981657087
Energy: 1.4953873249418133
Energy: 1.580498580323571
Energy: 1.6282234582022157
Energy: 1.494546896666845
Energy: 1.4871482947504817
Energy: 1.2554581008812637
Energy: 1.552254337777702
Energy: 1.5157323451016833
Energy: 1.2256589282433183
Energy: 1.4946391044515615
Energy: 1.5081997577061732
Energy: 1.323135094902877
Energy: 1.4885274921605465
Energy: 1.487856772798551
Energy: 1.2236285468836319
Energy: 1.4928550301876942
Energy: 1.2297628354467607
Energy: 2.0829137206690214
Energy: 1.6694823372636154
Energy: 1.265928329363482
Energy: 1.2671513785171569
Energy: 1.6509598697236794
Energy: 1.6958955740260344
Energy: 1.4686217233705947
Energy: 1.501605285505306
Energy: 1.224000529163312
Energy: 1.22512745506818
Energy: 1.2271655170781282
Energy: 1.4880045979904197
Energy: 1.4025841449864205
Energy: 1.511386589438554
Energy: 1.2314075166324314
Energy: 1.223169752780415
Energy: 1.2312679543205398
Energy: 1.2327897749877108
Energy: 1.6570526990668013
Energy: 1.6661043553112422
Energy: 1.22546602204
Energy: 1.2326407311361627
Energy: 1.444256912485142
Energy: 1.697153699047099
Energy: 1.7951813742097213
Energy: 1.6662793707998322
Energy: 1.688868329997484
Energy: 1.251874649560571
Energy: 1.6621691937191343
Energy: 1.706791378754449
Energy: 1.2905813561778579
Energy: 1.37985713636363
Energy: 1.64669788636504
Energy: 1.1625272103793451
Energy: 1.7627426975943095
Energy: 1.2372508733587178
Energy: 1.2237960760991213
Energy: 1.2838100669090635
Energy: 1.6759762750959268
Energy: 1.2313520058748868
Energy: 1.4570665556843987
Energy: 1.2419893548775678
Energy: 1.224328933938943
Energy: 1.2307734145853289
Energy: 1.4897957994861162
Energy: 1.231502508397178
Energy: 1.2291146934265553
Energy: 1.2318170763231369
Energy: 1.237961304133142
Energy: 1.2262188685230577
Energy: 1.692285874902803
Energy: 1.4465062868970233
Energy: 1.610343848652666
Energy: 1.2262417812637327
Energy: 1.2534666531136112
Energy: 1.2287999051499583
Energy: 1.5222071960959
Energy: 1.3015139371394404
Energy: 1.4884095316820913
Energy: 1.4813025441457517
Energy: 1.3032436831559437
Energy: 1.4965958889778923
Energy: 1.6728255863613335
Energy: 1.6530157130472642
Energy: 1.4939503848631397
Energy: 1.491015225745819
Energy: 1.277071612824074
Energy: 1.5153683384588839
Energy: 1.4941514748914762
Energy: 1.4762454398952207
Energy: 1.4760218526956113
Energy: 1.226411442370655
Energy: 1.2640137864168635
Energy: 1.5101918919356412
Energy: 1.4918598002304053
Energy: 1.228399354115437
Energy: 1.4951210543277416
Energy: 1.5521958451288478
Energy: 2.0791127267633924
Energy: 1.4973403463540518
Energy: 1.2319190309084322
Energy: 1.270710150058524
Energy: 1.247960705798377
Energy: 1.7417973094706887

minimum gb energy = 1.1474406133456299 eV
minimum distance =  2.28039948988469 Angstroms
sigma value = 43


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

Energy: 1.3825940750958243
Energy: 1.9245334300812336
Energy: 1.5335071379252927
Energy: 1.4995539977722585
Energy: 1.8058252847635332
Energy: 1.7989600483903159
Energy: 1.3378997078354076
Energy: 1.4983234828816383
Energy: 1.269326660555956
Energy: 1.268352805900511
Energy: 1.2705465130363445
Energy: 1.6742084642104402
Energy: 1.5970140404597746
Energy: 1.6829794439175108
Energy: 1.2711459326623122
Energy: 1.2685216542836764
Energy: 1.2709261246902601
Energy: 1.7584007905441206
Energy: 1.4715238689367756
Energy: 1.6340152364258071
Energy: 1.2712123937029778
Energy: 1.264686497244483
Energy: 1.6001965400373732
Energy: 1.638341076165562
Energy: 1.5814371950356096
Energy: 1.6224547974798662
Energy: 1.655821455560897
Energy: 1.3777261889277854
Energy: 1.6331141701002356
Energy: 1.4528572468915468
Energy: 1.2052824180292059
Energy: 1.2015369911906395
Energy: 1.742445788067074
Energy: 1.6540548299034854
Energy: 1.7101109858670491
Energy: 1.2058974373776925
Energy: 1.2003775700522072
Energy: 1.2034439740852925
Energy: 1.6356648637718332
Energy: 1.2692790199687147
Energy: 1.1916011522574956
Energy: 1.2026679272476362
Energy: 1.1966782603516355
Energy: 1.2014007255789727
Energy: 1.6360727739119731
Energy: 1.4059401518285222
Energy: 1.2016740740947793
Energy: 1.201349136586926
Energy: 1.2076077960629545
Energy: 1.1970208937111306
Energy: 1.6449498271917005
Energy: 1.3304770949400477
Energy: 1.669338307790202
Energy: 1.202433505069771
Energy: 1.8296553969363767
Energy: 1.642979516255977
Energy: 1.6517065926466228
Energy: 1.3726969357222434
Energy: 1.4513329223252316
Energy: 1.6445416967750646
Energy: 1.8553529752688287
Energy: 1.6512653980995362
Energy: 1.2646886346585278
Energy: 1.2643334064556397
Energy: 1.5908906039548516
Energy: 1.203524908409412
Energy: 1.5863838103978403
Energy: 1.623218780882137
Energy: 1.2946170193615902
Energy: 1.2768292711918594
Energy: 1.2701385214983394
Energy: 1.4488318895542387
Energy: 1.2069504200673948
Energy: 1.2624220362480225
Energy: 1.267688157875121
Energy: 1.278747101897779
Energy: 1.2725372058547437
Energy: 1.4679445608440436
Energy: 1.613436022394341
Energy: 1.264484013315076
Energy: 1.2672176677573186
Energy: 1.2675566430871559
Energy: 1.2740111784927042
Energy: 1.6449722934570838
Energy: 1.268503221764799
Energy: 1.47164980869449
Energy: 1.5041134721973648
Energy: 1.2680898753918917
Energy: 1.4708000995856496
Energy: 1.446797832550006
Energy: 1.6140392160288581
Energy: 1.587672981352454
Energy: 1.4755245117466198
Energy: 1.2777103806388148
Energy: 1.4701111831599023
Energy: 1.5145077007001688
Energy: 1.5830974249279506
Energy: 1.5032981172689452
Energy: 1.5837797329985075
Energy: 1.5974658335766718
Energy: 1.5934646161462536
Energy: 1.2704550142934112
Energy: 1.5832749775652153
Energy: 1.467200838340976
Energy: 1.4730959506356855
Energy: 1.332030965602305
Energy: 1.4754652577157414
Energy: 1.4987151409906712
Energy: 1.4827179513432127
Energy: 1.758671442672141
Energy: 1.9507306501672328
Energy: 1.80599044556227
Energy: 1.9312803569144155
Energy: 1.5273714755953394
Energy: 1.2669750431022941
Energy: 1.2722447899873155
Energy: 1.4721961610499494
Energy: 1.2041451983349154
Energy: 1.2698742276652495
Energy: 1.2700871487280692
Energy: 1.2625877185252161
Energy: 1.270858358141298
Energy: 1.7774865441429546
Energy: 1.6246960274054048
Energy: 1.6596503763210027
Energy: 1.2684152409139384
Energy: 1.2646188800506177
Energy: 1.261207252265111
Energy: 1.6347046057667747
Energy: 1.3298883970691642
Energy: 1.6331171680817593
Energy: 1.2660336400646046
Energy: 1.3286225565653325
Energy: 1.637477424910504
Energy: 1.632733340572585
Energy: 1.272022565437891
Energy: 1.6339280561336997
Energy: 1.5800596199125463
Energy: 1.9039485642606675
Energy: 1.7408393796078654
Energy: 1.2017347636770763
Energy: 1.2038132780287762
Energy: 1.4374609181416886
Energy: 1.6503144797851976
Energy: 1.2660767497585157
Energy: 1.434213715065034
Energy: 1.2028577534326899
Energy: 1.2016861088461668
Energy: 1.2036619376655289
Energy: 1.5135483830693717
Energy: 1.4030566695567783
Energy: 1.6402791412495015
Energy: 1.201883380884248
Energy: 1.2018151308150196
Energy: 1.2016509840039094
Energy: 1.7804242549721945
Energy: 1.617256039910379
Energy: 1.6500429679300017
Energy: 1.1916437860801155
Energy: 1.2090292020913513
Energy: 1.3991405316328778
Energy: 1.632264319799731
Energy: 1.267751265128554
Energy: 1.4530309019137544
Energy: 1.6433262772029056
Energy: 1.263140582184013
Energy: 1.6383886010390278
Energy: 1.6267755956209333
Energy: 1.263956135536498
Energy: 1.4130391646864706
Energy: 1.648376062565612
Energy: 1.202677559255248
Energy: 1.6457053597925837
Energy: 1.2637181026096285
Energy: 1.273993451120359
Energy: 1.2746441474647943
Energy: 1.662522478249833
Energy: 1.2627058401455045
Energy: 1.67566617174739
Energy: 1.280494081713257
Energy: 1.2771221713900163
Energy: 1.2679422202410546
Energy: 1.496267175157081
Energy: 1.2068015578769662
Energy: 1.2607866325801043
Energy: 1.2806947701762994
Energy: 1.2710764953175189
Energy: 1.2652877354364729
Energy: 1.6955861011281856
Energy: 1.5413085492635503
Energy: 1.5647538522636382
Energy: 1.2696947604431428
Energy: 1.5893692262833299
Energy: 1.5170553394934951
Energy: 1.522023466334399
Energy: 1.4146792567516593
Energy: 1.4939474976411404
Energy: 1.4962294735174968
Energy: 1.6269769284519457
Energy: 1.467837883466877
Energy: 1.5139155770685988
Energy: 1.2695323020098792
Energy: 1.5217271857188273
Energy: 1.2653950155229208
Energy: 1.6137938926481987
Energy: 1.5315847972597445
Energy: 1.477854010149414
Energy: 1.2713165836327833
Energy: 1.4794122035162287
Energy: 1.5156442529897598
Energy: 1.3223046052004386
Energy: 1.4959583104992071
Energy: 1.4666535022517162
Energy: 1.2678265694516442
Energy: 1.5000946496904988
Energy: 1.4789722109363035

minimum gb energy = 1.1916011522574956 eV
minimum distance =  2.22560501177028 Angstroms
sigma value = 81


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

Energy: 1.2146889716109868
Energy: 1.2111472258011249
Energy: 1.5582433161630056
Energy: 1.518017520517158
Energy: 1.54900008540197
Energy: 1.2115715098974695
Energy: 1.2106069411241687
Energy: 1.3311207596456625
Energy: 1.218232798198655
Energy: 1.217960324629453
Energy: 1.2155036294016865
Energy: 1.348882852477415
Energy: 1.3413029754479189
Energy: 1.337634912982168
Energy: 1.2154963097973188
Energy: 1.2241341285177294
Energy: 1.2160867142829392
Energy: 1.5490116733487
Energy: 1.3391734527110777
Energy: 1.3367359703966422
Energy: 1.2224384333512093
Energy: 1.2171421189140073
Energy: 1.3369104762703774
Energy: 1.337426023063653
Energy: 1.331235368742993
Energy: 1.3305576620758885
Energy: 1.2152875234104734
Energy: 1.2105429783838322
Energy: 1.3325923573918927
Energy: 1.3371607622184227
Energy: 1.2160007847503338
Energy: 1.4947660808150869
Energy: 1.2103611673007044
Energy: 1.2100720593133845
Energy: 1.3308296811473617
Energy: 1.2252916239297393
Energy: 1.2347644352239826
Energy: 1.2158771556597607
Energy: 1.3441819007488032
Energy: 1.2151602189822193
Energy: 1.4875370488706754
Energy: 1.2195983056278308
Energy: 1.2186590750052682
Energy: 1.2151980921050396
Energy: 1.3372547655510916
Energy: 1.3441936201330442
Energy: 1.5236420374403055
Energy: 1.2159848800227009
Energy: 1.2160395027875595
Energy: 1.218109905996311
Energy: 1.3369115835409198
Energy: 1.3405007838365062
Energy: 1.3367173448505594
Energy: 1.2210829970168313
Energy: 1.2104442190208387
Energy: 1.46972072203486
Energy: 1.3372620170985292
Energy: 1.3374665375676194
Energy: 1.338904462070074
Energy: 1.2185118777591084

minimum gb energy = 1.2100720593133845 eV
minimum distance =  2.25087632735491 Angstroms
sigma value = 3


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

Energy: 1.6005403599445838
Energy: 1.962254471829282
Energy: 1.4675887604341031
Energy: 1.4298322178150755
Energy: 1.447718011339129
Energy: 1.905604092137482
Energy: 1.396434128971094
Energy: 1.460399217678896
Energy: 1.3989127866949393
Energy: 1.4163753240120684
Energy: 1.1935964365735365
Energy: 1.453670571644653
Energy: 1.4147636278361844
Energy: 1.2901489189525515
Energy: 1.194392325499682
Energy: 1.4265928645638248
Energy: 1.4047514008883364
Energy: 1.507474411129768
Energy: 1.425300406171231
Energy: 1.2014107975347206
Energy: 1.3943916569848334
Energy: 1.1884208683113373
Energy: 1.2905083038189418
Energy: 1.433884315003682
Energy: 1.4180882942853135
Energy: 1.430588067117617
Energy: 1.1912846483848014
Energy: 1.4309249787416187
Energy: 1.1915966667835443
Energy: 1.4250433076555868
Energy: 1.5960111974365159
Energy: 1.469103468524769
Energy: 1.580918583990914
Energy: 1.1910944889561248
Energy: 1.4872511159273507
Energy: 1.4794626610445085
Energy: 1.6278502618658865
Energy: 1.437493334324477
Energy: 1.25900529100999
Energy: 1.1939610823623479
Energy: 1.5638721619238583
Energy: 1.4358168406906782
Energy: 1.6237053895003004
Energy: 1.1952592926385308
Energy: 1.1939240729646596
Energy: 1.1865550483293932
Energy: 1.1967542937515054
Energy: 1.4356145715726958
Energy: 1.598826034710559
Energy: 1.1974795422591475
Energy: 1.2014866026247104
Energy: 1.1863421444361089
Energy: 1.2012790917541505
Energy: 1.8341958840204429
Energy: 1.4142796543936667
Energy: 1.4746521272002164
Energy: 1.1967923270491232
Energy: 1.1877846868158748
Energy: 1.1962809464116748
Energy: 1.463266236206032
Energy: 1.6074606601207133
Energy: 1.4543324533662376
Energy: 1.198097812653077
Energy: 1.381184161684429
Energy: 1.199793061343556
Energy: 1.4333680249874559
Energy: 1.600653569783409
Energy: 1.1918604894828908
Energy: 1.1917799062998244
Energy: 1.5305983631495412
Energy: 1.4874792992689299
Energy: 1.2651358749309316
Energy: 1.186896670599845
Energy: 1.1914149642028284
Energy: 1.1915601829456883
Energy: 1.5313883225815588
Energy: 1.486287154937786
Energy: 1.1892344702943831
Energy: 1.1856999709639497
Energy: 1.2020945524782978
Energy: 1.3927366540351245
Energy: 1.5341183968505336
Energy: 1.2037314367358698
Energy: 1.1995141101336113
Energy: 1.187479582479067
Energy: 1.199073195714274
Energy: 1.627579846472007
Energy: 1.6092066772801763
Energy: 1.623243508453565
Energy: 1.1890051363686571
Energy: 1.1920060038486593
Energy: 1.737411093360518
Energy: 1.4033896215089738
Energy: 1.4262985523536034
Energy: 1.3941040849534079
Energy: 1.1912243274914864
Energy: 2.155219563640777
Energy: 1.40373276285399
Energy: 1.7212379561591136
Energy: 1.6067809205798824
Energy: 1.4245596650119667
Energy: 1.1792670533653449
Energy: 1.2426837190000115
Energy: 1.628470894259944
Energy: 1.4898286629127027
Energy: 1.4161917819740697
Energy: 1.4044193630997521
Energy: 1.4498770633919962
Energy: 1.4112322913179989
Energy: 1.2897417892925807
Energy: 1.4572551308434907
Energy: 1.4433899643804142
Energy: 1.4601528292306434
Energy: 1.1915821054163687
Energy: 1.4203393534248612
Energy: 1.1966033835890977
Energy: 1.1938902282518793
Energy: 1.4158176475965094
Energy: 1.2830747970029297
Energy: 1.4400965866753095
Energy: 1.4161354424023338
Energy: 1.4352218845890095
Energy: 1.3000160768276854
Energy: 1.1993422832584666
Energy: 1.456011151854919
Energy: 1.4593534066093345
Energy: 1.3957489021457736
Energy: 1.413849525183493
Energy: 1.41640867518341
Energy: 1.1918527232465268
Energy: 1.4275162345122898
Energy: 1.4103419151245509
Energy: 1.591435150947104
Energy: 1.4267979930314005
Energy: 1.4023213142960964
Energy: 1.6042042810122852
Energy: 1.6468309845224771
Energy: 1.4238169399345912
Energy: 1.6266394721131188
Energy: 1.1974097346859705
Energy: 1.196655017525989
Energy: 1.187964280623827
Energy: 1.3848853538053822
Energy: 1.6813670254900233
Energy: 1.588211858169496
Energy: 1.562962748798669
Energy: 1.1982856695120163
Energy: 1.1849713805414714
Energy: 1.2017600211942383
Energy: 1.4206699306661366
Energy: 1.4065558326621548
Energy: 1.2030628192008859
Energy: 1.195680175445079
Energy: 1.1929295451536035
Energy: 1.1962373606640733
Energy: 1.5178044691951984
Energy: 1.8750032239503098
Energy: 1.1920693508125628
Energy: 1.1933515408999804
Energy: 1.1889932634992746
Energy: 1.2053650034678978
Energy: 1.7026631310787865
Energy: 1.6119267477282933
Energy: 1.4720383747457146
Energy: 1.1957934289143801
Energy: 1.3955059939550145
Energy: 1.4679692045490929
Energy: 1.1947724527087584
Energy: 1.1870088325919976
Energy: 1.2087315982601092
Energy: 1.7818991561088457
Energy: 1.2443104750036305
Energy: 1.412684266613264
Energy: 1.1871946757257208
Energy: 1.1868612981465247
Energy: 1.201607404573573
Energy: 1.4382893223454691
Energy: 1.5909204039000329
Energy: 1.2018195876220312
Energy: 1.2002931602865972
Energy: 1.1883439296998313
Energy: 1.2010021963973336
Energy: 1.60168765892378
Energy: 1.595594776280442
Energy: 1.2014885311809909
Energy: 1.1988477957298023
Energy: 1.1888276642593452
Energy: 1.1955133144306536
Energy: 1.7976710937239586
Energy: 1.4492065454976286
Energy: 1.4116002706342017
Energy: 1.1955403669522053
Energy: 1.6233722619654294
Energy: 1.6386690916408952
Energy: 1.4277428578766926
Energy: 1.5932540203853713
Energy: 1.4291643608714215
Energy: 1.176044832451111

minimum gb energy = 1.176044832451111 eV
minimum distance =  2.26721435139934 Angstroms
sigma value = 67


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

Energy: 2.078190073942032
Energy: 2.161683333181794
Energy: 1.4026366737576461
Energy: 1.4192161304307092
Energy: 1.392149732497938
Energy: 2.095820458851337
Energy: 1.3644607659223993
Energy: 1.3374085020177169
Energy: 1.4916563760997255
Energy: 1.4494379692867436
Energy: 1.4879830872823065
Energy: 1.3396436063296933
Energy: 1.4409444990927867
Energy: 1.2229089090827518
Energy: 1.503913920243171
Energy: 1.4536328041953261
Energy: 1.3339700583939935
Energy: 1.5436769878410843
Energy: 1.448804458654242
Energy: 1.498465005636526
Energy: 1.3146295377023964
Energy: 1.3787364530386998
Energy: 1.227838108050283
Energy: 1.4882569298596466
Energy: 1.4454179025366123
Energy: 1.520093986150821
Energy: 1.5723584940553588
Energy: 1.3983987105787132
Energy: 1.4689061023507335
Energy: 1.4927627632338196
Energy: 1.4903767643292805
Energy: 1.4063982928705958
Energy: 2.0263066278193342
Energy: 1.299906556688914
Energy: 1.6347996128609277
Energy: 1.4065531556727053
Energy: 1.6926469317003499
Energy: 1.5109301482102648
Energy: 1.7756885430951392
Energy: 1.386463716908711
Energy: 1.786627144078529
Energy: 1.4876121839195582
Energy: 1.774705442324583
Energy: 1.412021745079027
Energy: 1.330701208803081
Energy: 1.2881862456211741
Energy: 1.3422942316674242
Energy: 1.6077796100289898
Energy: 1.6472581372415522
Energy: 1.351750638940484
Energy: 1.3076517408656856
Energy: 1.273037084202835
Energy: 1.3504048585080397
Energy: 1.8396547450145604
Energy: 1.4839909796069288
Energy: 1.3947933461898976
Energy: 1.3066409316766177
Energy: 1.2871562034114972
Energy: 1.3045463998302134
Energy: 1.130136480548367
Energy: 1.7324456798811911
Energy: 1.1459927221137025
Energy: 1.32922712946505
Energy: 1.417738407585597
Energy: 1.840611220199976
Energy: 1.1444471219002557
Energy: 1.4841471592379694
Energy: 1.134758704397126
Energy: 1.1509355329747042
Energy: 1.1270516187243764
Energy: 1.1961276789493194
Energy: 1.5986231186412616
Energy: 1.267178214496707
Energy: 1.135686565679693
Energy: 1.1331036413468347
Energy: 1.5706082432937856
Energy: 1.131963200534118
Energy: 1.1347156808289305
Energy: 1.4925475383254563
Energy: 1.144775220710366
Energy: 1.3589977883727427
Energy: 1.5812103064523957
Energy: 1.4812472076696996
Energy: 1.144262116945525
Energy: 1.268103423263424
Energy: 1.1356405324557939
Energy: 1.5956050702717388
Energy: 1.5612621378879386
Energy: 1.4972568161934288
Energy: 1.1307178739501382
Energy: 1.3797876681415704
Energy: 1.140849181999358
Energy: 1.6200357101920684
Energy: 1.5533265896833826
Energy: 1.6560109081343997
Energy: 1.4778599848028893
Energy: 1.6848522511138788
Energy: 1.1684471052426135
Energy: 1.568871508453314
Energy: 1.5582969596719487
Energy: 1.563540757227712
Energy: 1.4156922310331
Energy: 1.6295608191731465
Energy: 1.410729270846032
Energy: 1.7116947881204374
Energy: 1.655846245399574
Energy: 1.7236180214424257
Energy: 1.1764871955927994
Energy: 1.2962675034043292
Energy: 1.170775108463695
Energy: 1.8822716662320573
Energy: 1.6429658340208586
Energy: 1.6595809136758097
Energy: 1.1656846176175708
Energy: 1.1706776404503612
Energy: 1.180737422450019
Energy: 1.4518231831870116
Energy: 1.6708987265094968
Energy: 1.5362906022265803
Energy: 1.1697076091567733
Energy: 1.157435787170278
Energy: 1.1991426935324134
Energy: 1.3328310508181698
Energy: 1.6027362819436655
Energy: 1.1768887555995138
Energy: 1.1714495964517886
Energy: 1.1618414973758642
Energy: 1.1682026577413243
Energy: 1.330593044247331
Energy: 1.4544772811996314
Energy: 1.5493399575158695
Energy: 1.165868501074292
Energy: 1.5432749693478676
Energy: 1.3252150250867114
Energy: 1.4873557843936183
Energy: 1.695946036984586
Energy: 1.3176087908154575
Energy: 1.3385900285941938

minimum gb energy = 1.1270516187243764 eV
minimum distance =  2.26883932153095 Angstroms
sigma value = 33


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

Energy: 2.5759859065381736
Energy: 1.7620874109530054
Energy: 1.5877897319021286
Energy: 1.4920999219848412
Energy: 1.516232411010828
Energy: 1.9948341634151547
Energy: 1.0878618583572888
Energy: 1.2935569120445427
Energy: 1.6724248717838046
Energy: 1.4360005439579724
Energy: 1.4401615682366724
Energy: 1.4083587022561266
Energy: 1.2334555672288576
Energy: 1.2542039236602656
Energy: 1.4357439345450687
Energy: 1.4351407229739994
Energy: 1.425438530563575
Energy: 1.2737880267411654
Energy: 1.2558127681533013
Energy: 1.2639457786540458
Energy: 1.2940671318445167
Energy: 1.48150192742121
Energy: 1.2824806120673946
Energy: 1.2629995632266486
Energy: 1.2315210333191038
Energy: 1.2961600948727967
Energy: 1.2504211214329646
Energy: 1.521624533232047
Energy: 1.2557665783672296
Energy: 1.2402414047068635
Energy: 1.3230117000516162
Energy: 1.2541236965754048
Energy: 1.7090010243631555
Energy: 1.530805643637384
Energy: 1.6536955941558722
Energy: 1.2778103999225512
Energy: 1.6244818742290636
Energy: 1.2573967560635977
Energy: 1.7285121197447146
Energy: 1.3427196769093788
Energy: 1.4327240552342377
Energy: 1.4347316475635923
Energy: 1.668840585601549
Energy: 1.252639224676197
Energy: 1.2368036253683952
Energy: 1.2354673629665593
Energy: 1.2658686954214684
Energy: 1.436532758022288
Energy: 1.3288012004663134
Energy: 1.0723110934616424
Energy: 1.249682389335622
Energy: 1.243452928439869
Energy: 1.2822346193358694
Energy: 1.8415201928681668
Energy: 1.557678872630683
Energy: 1.4161440434167603
Energy: 1.2487525172954383
Energy: 1.2410587924270056
Energy: 1.2614926462011524
Energy: 1.6480114192856576
Energy: 1.5865296354181575
Energy: 1.676285389574643
Energy: 1.2628554860742367
Energy: 1.069950299186921
Energy: 1.409219289831526
Energy: 1.6367729696374838
Energy: 1.567520985451473
Energy: 1.4778871291746873
Energy: 1.0779136208132
Energy: 1.4371682240338122
Energy: 1.2414853086862288
Energy: 1.4864236708262
Energy: 1.6520579865174192
Energy: 1.4768468875089822
Energy: 1.0723067390141725
Energy: 1.4325229703620017
Energy: 1.2858999930370418
Energy: 1.6039231438149122
Energy: 1.7592484802641837
Energy: 1.6903962480229908
Energy: 1.0745851499881294
Energy: 1.0684952148729798
Energy: 1.3963750293584263
Energy: 1.851257082945657
Energy: 1.5347208390386422
Energy: 1.0794205774423868
Energy: 1.0674945341270619
Energy: 1.0648808736474782
Energy: 1.0781678168290645
Energy: 1.6451467244604976
Energy: 1.5566699407561326
Energy: 1.0773422612602586
Energy: 1.080015511507709
Energy: 1.06624670663309
Energy: 1.0774294157255633
Energy: 1.9297985067349606
Energy: 1.5582472687545954
Energy: 1.4308905906831138
Energy: 1.069919638961129
Energy: 1.0671909945957638
Energy: 1.0744075360351844
Energy: 1.4267064886799898
Energy: 1.5724009880073297
Energy: 1.4365324875543573
Energy: 1.6978778894001396
Energy: 1.100963188194152
Energy: 1.4052725079039134
Energy: 1.6747087839658301
Energy: 1.540850099659853
Energy: 1.5366470149833533
Energy: 1.6822766225858383
Energy: 1.4373976979300858
Energy: 1.6562487771654058
Energy: 1.586670909966437
Energy: 1.4720803060157428
Energy: 1.6884889322775656
Energy: 1.4743433954221807
Energy: 1.4765938823771656
Energy: 1.293347684170502
Energy: 1.4455269028389193
Energy: 1.4432263976672184
Energy: 1.4365336824140376
Energy: 1.249675277323492
Energy: 1.232928679275414
Energy: 1.272412174412923
Energy: 1.6449825207826854
Energy: 1.454557311394026
Energy: 1.2934643388219746
Energy: 1.2682840539124827
Energy: 1.2501131258622256
Energy: 1.2649538690909499
Energy: 1.2890727834802604
Energy: 1.5202545032570505
Energy: 1.2548617293408195
Energy: 1.2946501162381037
Energy: 1.2330945055885123
Energy: 1.263620686942943
Energy: 1.473210691363571
Energy: 2.1548292286656987
Energy: 1.9273512071811845
Energy: 1.3751651048288303
Energy: 1.3237485085242349
Energy: 1.2415945244920792
Energy: 1.9663524633400178
Energy: 1.3152289175586291
Energy: 1.251233885340111
Energy: 1.2767758724327574
Energy: 1.5135009157150037
Energy: 1.2492783641910676
Energy: 1.2752849283639685
Energy: 1.2550987413282066
Energy: 1.2414719468938684
Energy: 1.4350774691741144
Energy: 1.6923948063061747
Energy: 1.2522363601754396
Energy: 1.2374000823168838
Energy: 1.2410154462438996
Energy: 1.2552349788827901
Energy: 1.3279964881934816
Energy: 1.3326000975690124
Energy: 1.316476794437764
Energy: 1.259574512694933
Energy: 1.249901088363901
Energy: 1.2524926248066632
Energy: 1.454711067574455
Energy: 1.4455121422095034
Energy: 1.2597123575843303
Energy: 1.252790409115901
Energy: 1.2373950093153925
Energy: 1.2668995181161196
Energy: 1.6655998993430985
Energy: 1.6537102996301873
Energy: 1.669220435818507
Energy: 1.2530620626609685
Energy: 1.4901311814094946
Energy: 1.2532455174104586
Energy: 1.4754462334624097
Energy: 1.5380362911571732
Energy: 1.6932793615009205
Energy: 1.25441948737213
Energy: 1.5582157287743807
Energy: 1.0675108721257398
Energy: 1.664628213000346
Energy: 1.5568217154861619
Energy: 1.4818204354854654
Energy: 1.2713497428365361
Energy: 1.072650111288579
Energy: 1.1445443953249528
Energy: 1.6828396303936903
Energy: 1.7230371598579244
Energy: 1.6672803825808575
Energy: 1.0719084790181497
Energy: 1.0630800348595768
Energy: 1.071542039717752
Energy: 1.4078686449015518
Energy: 1.7430522495120087
Energy: 1.0781013171049003
Energy: 1.0704617562696213
Energy: 1.0646466668288255
Energy: 1.0751447975873603
Energy: 1.102577158786465
Energy: 1.5567141777330826
Energy: 1.0857488940007578
Energy: 1.0723871331181791
Energy: 1.0667356882676973
Energy: 1.074450291194924
Energy: 1.240859932048943
Energy: 1.437736703496768
Energy: 1.4129397182292327
Energy: 1.0710134878654796
Energy: 1.0691777248882857
Energy: 1.6936904800465165
Energy: 1.6686710358958525
Energy: 1.6706696007236062
Energy: 1.135963208939326
Energy: 1.0781737611802988
Energy: 1.5404416342496223
Energy: 1.071192116424266
Energy: 1.5832634311187035
Energy: 1.5457574678567052
Energy: 1.5394905403068768
Energy: 1.4533599164758793

minimum gb energy = 1.0630800348595768 eV
minimum distance =  2.21734774936375 Angstroms
sigma value = 41


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

Energy: 1.9719468841241892
Energy: 1.9102583390946257
Energy: 1.1897207140310289
Energy: 1.1870063267021906
Energy: 1.1943428295137486
Energy: 1.9132231780136273
Energy: 1.6010092684813346
Energy: 0.9402780917817141
Energy: 0.9315715424332106
Energy: 1.26979176939382
Energy: 0.9286493008154785
Energy: 1.3688969008780398
Energy: 1.2408535473938516
Energy: 0.9412885149285146
Energy: 0.9318159887440494
Energy: 0.8720935184830567
Energy: 0.9394234508328226
Energy: 0.9384353867462101
Energy: 1.4234898888870975
Energy: 1.430629786308464
Energy: 0.9399487214492708
Energy: 1.211517770614708
Energy: 0.9403269890735787
Energy: 1.4103667899053929
Energy: 1.2431332986065406
Energy: 1.2442834057391412
Energy: 0.9382745322877457
Energy: 1.2776479282329958
Energy: 0.9285370222561499
Energy: 1.2438174303260814
Energy: 1.2060490037601093
Energy: 1.2419226277758892
Energy: 1.24789057527178
Energy: 1.3909473590383412
Energy: 1.8951441341354969
Energy: 1.2432355810957207
Energy: 1.6140751702980927
Energy: 0.9340834883602435
Energy: 0.9418161255708176
Energy: 1.2749329467478918
Energy: 0.9412969979588834
Energy: 1.8349871430506566
Energy: 1.6138360544637689
Energy: 0.9392852309264554
Energy: 1.3107843563952921
Energy: 1.2092541549673739
Energy: 0.9430255050470108
Energy: 1.4425091002687531
Energy: 1.2372695024094025
Energy: 0.9433782763859789
Energy: 0.9373124182496971
Energy: 0.8710307100042262
Energy: 0.9388095741754612
Energy: 0.935416367996445
Energy: 1.2574182522651236
Energy: 0.9363474106776095
Energy: 0.9393899313409567
Energy: 1.2732184177442007
Energy: 0.9432013230136481
Energy: 1.3811132870466996
Energy: 1.259383891558354
Energy: 1.4556451113037763
Energy: 0.9320906923321788
Energy: 1.210857752253609
Energy: 0.9479705746983751
Energy: 1.317486429519935
Energy: 1.2455659601264812
Energy: 1.238963029516706
Energy: 0.9404554702925887
Energy: 1.2565482378009831
Energy: 0.946126444248756
Energy: 1.2378520005149627
Energy: 1.2515638097046677
Energy: 1.2454616526643976
Energy: 0.9460038959226066
Energy: 1.3529308218862777
Energy: 0.9345396167186387
Energy: 1.234115684597154
Energy: 1.5875644861104912
Energy: 1.4098482387614053
Energy: 1.3125702958440908
Energy: 1.207777736294843
Energy: 0.9380593889814489
Energy: 1.9384299139877668

minimum gb energy = 0.8710307100042262 eV
minimum distance =  2.23669481085803 Angstroms
sigma value = 11


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

Energy: 2.3332952542783083
Energy: 1.1602463157590643
Energy: 1.407846484660265
Energy: 1.330530305301444
Energy: 1.3217574288750165
Energy: 2.134476409263447
Energy: 1.1548807253360176
Energy: 1.3578354735011082
Energy: 1.5511698960841593
Energy: 1.4725017388689103
Energy: 1.4491634458313591
Energy: 1.1861869293108662
Energy: 1.162357589173462
Energy: 1.1694040756465074
Energy: 1.455418008878564
Energy: 1.3657589631892406
Energy: 1.441061499662106
Energy: 1.1662773302422025
Energy: 1.2007386292213518
Energy: 1.2005074776950089
Energy: 1.253890539838306
Energy: 1.3463158127042127
Energy: 1.2002596625068618
Energy: 1.203030315738565
Energy: 1.1723547352214039
Energy: 1.186543645280289
Energy: 1.602917584611016
Energy: 1.5133101269461857
Energy: 1.1891514333789408
Energy: 1.1860685050396564
Energy: 1.1672423936004022
Energy: 1.1848987874700605
Energy: 1.4069804253147924
Energy: 1.4029154174457366
Energy: 1.8232720746860276
Energy: 1.166793815564144
Energy: 1.4493424349618493
Energy: 1.3776873104967178
Energy: 1.5479534012991378
Energy: 1.3967300630609345
Energy: 1.5749843249199267
Energy: 1.5651237537229161
Energy: 1.6039049220522266
Energy: 1.3688176940214893
Energy: 1.2778003312616701
Energy: 1.3488071938758652
Energy: 1.2628008542829017
Energy: 1.6144541211959604
Energy: 1.1675340212414091
Energy: 1.3407512279041431
Energy: 1.5767306325706725
Energy: 1.5901320434859594
Energy: 1.5801541201561673
Energy: 1.2105746025667818
Energy: 1.2848827941830256
Energy: 1.2857848399202283
Energy: 1.5654764882660857
Energy: 1.583681766073037
Energy: 1.3851966878580189
Energy: 1.285304108794157
Energy: 1.3321513924002566
Energy: 1.4324045654324502
Energy: 1.2595023276587363
Energy: 1.309370534029494
Energy: 1.476133398791621
Energy: 1.3507205778889884
Energy: 1.307646222207265
Energy: 1.362823009416693
Energy: 1.4182029776712055
Energy: 1.2852612783377897
Energy: 1.4304184445824841
Energy: 1.377058674856601
Energy: 1.259670304643905
Energy: 1.5050792317188946
Energy: 1.3573688511240678
Energy: 1.2971393988657727
Energy: 1.3156483407824453
Energy: 1.383505054628939
Energy: 1.4247969345427673
Energy: 1.3738514817702145
Energy: 1.3286277523957222
Energy: 1.1664207333329133
Energy: 1.1718571902902555
Energy: 1.61205056308482
Energy: 1.377341110765943
Energy: 1.4143406416771622
Energy: 1.2743705099783265
Energy: 1.1821589635576777
Energy: 1.3945555615636642
Energy: 1.368647650272244
Energy: 1.3130111187088505
Energy: 1.3139438202978073
Energy: 1.1605031477849288
Energy: 1.5921140183513025
Energy: 1.3727638476270774
Energy: 1.2659196321682018
Energy: 1.4848390802996603
Energy: 1.3620277764648907
Energy: 1.188748502791969
Energy: 1.1543923467994412
Energy: 1.364349102074682
Energy: 1.3822891140958404
Energy: 1.6813670172993647
Energy: 1.4515041038967713
Energy: 1.168414035824752
Energy: 1.1668490672210208
Energy: 1.186701457876912
Energy: 1.654050140605909
Energy: 1.3928662007021309
Energy: 1.3557353599347948
Energy: 1.2030670130721237
Energy: 1.2021181361265392
Energy: 1.203350520263932
Energy: 1.5597135660857941
Energy: 1.5073785673099613
Energy: 1.3968809707072047
Energy: 1.1852110137781644
Energy: 1.16709241231021
Energy: 1.188183368515273
Energy: 1.535438822671956
Energy: 1.5011525617543284
Energy: 1.8696583879487547
Energy: 1.1666238101631745
Energy: 1.1677403040607175
Energy: 1.1867578199376554
Energy: 1.790699326292544
Energy: 1.5081813058804423
Energy: 1.5688040613146281
Energy: 1.3702678194963396
Energy: 1.4866706184768521
Energy: 1.381174849195504
Energy: 1.5204556620164054
Energy: 1.313792257135123
Energy: 1.17129845635289
Energy: 1.562973851737164
Energy: 1.5301218995418413
Energy: 1.6812156866855472
Energy: 1.289397136945823
Energy: 1.5545514749381286
Energy: 1.563594766810695
Energy: 1.1670834546847697
Energy: 1.257160769147088
Energy: 1.3676142928216075
Energy: 1.452486479613472
Energy: 1.364403667844255
Energy: 1.4044688289524154
Energy: 1.174284031457917
Energy: 1.1646750658461198
Energy: 1.2858205666088107
Energy: 1.7109946756553442
Energy: 1.26550128300705
Energy: 1.4639360404096986
Energy: 1.3183291863497824
Energy: 1.3095425078654401
Energy: 1.3707219125769057
Energy: 1.3742424831682085
Energy: 1.2985986958615237
Energy: 1.4231955541632975
Energy: 1.3679046793595226
Energy: 1.3092329312218554
Energy: 1.2398855336753267
Energy: 1.3148172639315727
Energy: 1.2880916678928072
Energy: 1.284348292575625
Energy: 1.2532413684973416
Energy: 1.2650291259687396
Energy: 1.445058444156986
Energy: 1.285547351848786
Energy: 1.2840103477866058
Energy: 1.2574051265443082
Energy: 1.4255548982586195
Energy: 1.3702096232116494
Energy: 1.3713342939771513
Energy: 1.2645148269553186
Energy: 1.1643728346869238
Energy: 1.3682897352589358
Energy: 1.5551500545355883
Energy: 1.4045603220737446
Energy: 1.3631743695575391
Energy: 1.3657040236561342
Energy: 1.6207591549581992
Energy: 1.462220624687667
Energy: 1.1676469474585345
Energy: 1.309118879258449
Energy: 1.2662795413405783
Energy: 1.6408965534947677

minimum gb energy = 1.1543923467994412 eV
minimum distance =  2.23143427399522 Angstroms
sigma value = 57


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

Energy: 2.4333520780330034
Energy: 1.2827700055474482
Energy: 1.3271895596082566
Energy: 1.3257216485509264
Energy: 1.3155184833760283
Energy: 1.282743613802309
Energy: 1.2229934434296341
Energy: 1.4479881732091695
Energy: 1.4317071456670256
Energy: 1.236162441434432
Energy: 1.282763347940521
Energy: 1.2414949255849463
Energy: 1.236516482026412
Energy: 1.2416923979715753
Energy: 1.3480617114550113
Energy: 1.3876674478049793
Energy: 1.3525869321070811
Energy: 1.2401996357082932
Energy: 1.3152221931097716
Energy: 1.313755641024611
Energy: 1.351384101542883
Energy: 1.2368212723467928
Energy: 1.3118509280560586
Energy: 1.3073172674765665
Energy: 1.2347113518326387
Energy: 1.2424097888180474
Energy: 1.2829035204452472
Energy: 1.2359204856924266
Energy: 1.6834124027094923
Energy: 1.2406896774441245
Energy: 1.2404841132363853
Energy: 1.4258329385152892
Energy: 1.2872851024771956
Energy: 1.2398662636377424
Energy: 1.4154707811862053
Energy: 1.2389731382563527
Energy: 1.3222861024760717
Energy: 1.2923014609291585
Energy: 1.2390001052834447
Energy: 1.3074149838167564
Energy: 1.3474810040966239
Energy: 1.3106189097923242
Energy: 1.3120675537835533
Energy: 1.3467200144229974
Energy: 1.3950092063021855
Energy: 1.3143685193592647
Energy: 1.2422198663601294
Energy: 1.2845081173351682
Energy: 1.3141324584128515
Energy: 1.2391595258528976
Energy: 1.6255731904884767
Energy: 1.224305473660027
Energy: 1.3449377788903656
Energy: 1.37851340449372
Energy: 1.321356835972179
Energy: 1.2421436493463018
Energy: 1.222037580888735
Energy: 1.2223574141896114
Energy: 1.2836193912815816
Energy: 1.2378119619542018
Energy: 1.2220778543194224
Energy: 1.3550934234933047
Energy: 1.2392354413605977
Energy: 1.2401811993619434
Energy: 1.3472390757088046
Energy: 1.3143697289134904
Energy: 1.225183979435493
Energy: 1.2922121937038769
Energy: 1.3086990497897386
Energy: 1.2356563029250804
Energy: 1.3114816227051336
Energy: 1.2810740271722456
Energy: 1.235156224078565
Energy: 1.6125377731737975
Energy: 1.2418678388740365
Energy: 1.236164451549456
Energy: 1.3111811590542308
Energy: 1.240890463906868
Energy: 1.2400508516847535
Energy: 1.2858201318753033
Energy: 1.2415069867734816
Energy: 1.2389176471456753
Energy: 1.4243470406697056
Energy: 1.3090043079423102
Energy: 1.2438647300803085
Energy: 1.434463637794657
Energy: 1.3489967152343982
Energy: 1.3428444764837255
Energy: 1.291448329308752
Energy: 1.2370204676927001
Energy: 1.3103780814378874
Energy: 1.320175969644045
Energy: 1.2402733394038217
Energy: 1.3060181701679152
Energy: 1.2412538102912891
Energy: 1.3147858932734398
Energy: 1.2893339153222856
Energy: 1.2420705417564868
Energy: 1.4331811926974338
Energy: 1.240882777936876
Energy: 1.2821533566554937
Energy: 1.2385885669954788

minimum gb energy = 1.222037580888735 eV
minimum distance =  2.26841268761021 Angstroms
sigma value = 9


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

Energy: 2.6971169067176097
Energy: 1.3625121674694651
Energy: 1.3706195188414643
Energy: 1.3659640906068262
Energy: 1.4144749040599016
Energy: 1.3640486677611972
Energy: 1.3957584205650937
Energy: 1.5494948894742409
Energy: 1.5875180177494357
Energy: 1.3514794860446726
Energy: 1.3906290150877523
Energy: 1.3776388768783256
Energy: 1.3322477575177043
Energy: 1.3787697259318747
Energy: 1.5875264631351127
Energy: 1.3201249193043667
Energy: 1.3890782653992158
Energy: 1.3375359627518713
Energy: 1.3351014987693846
Energy: 1.3792781440664708
Energy: 1.616373356225817
Energy: 1.3419900897747892
Energy: 1.5060895453352177
Energy: 1.3547588038389389
Energy: 1.3599382316667072
Energy: 1.5086775615929722
Energy: 1.3717442431305973
Energy: 1.338809506977188
Energy: 1.4216642557225785
Energy: 1.4830021863677114
Energy: 1.3372681322019304
Energy: 1.459698681459471
Energy: 1.3547161594701669
Energy: 1.347127360801537
Energy: 1.4875748804650701
Energy: 1.4485698555989368
Energy: 1.3513587199416697
Energy: 1.4664508409609687
Energy: 1.3720210806883733
Energy: 1.3433625147450126
Energy: 1.355296525319198
Energy: 1.683994761630429
Energy: 1.3527344669432027
Energy: 1.521217676629457
Energy: 1.5057591254442324
Energy: 1.3356776787708642
Energy: 1.4955791744027043
Energy: 1.385291056525367
Energy: 1.3665020690189942
Energy: 1.345491746308141
Energy: 1.4854550312623036
Energy: 1.3730974095289368
Energy: 1.4849756727765764
Energy: 1.3711403855883761
Energy: 1.4144641906242086
Energy: 1.3382105986045028
Energy: 1.4880342404372322
Energy: 1.3655588590876242
Energy: 1.4872335305392608
Energy: 1.3582880185086748
Energy: 1.3994824843300882
Energy: 1.4814064476199853
Energy: 1.367170578711397
Energy: 1.3563532597258168
Energy: 1.5495648654738639
Energy: 1.3305744970541247
Energy: 1.4051899449695
Energy: 1.3874825318267163
Energy: 1.3487417983709538
Energy: 1.3635243836624036
Energy: 1.5847173780894814
Energy: 1.643123265796182
Energy: 1.3746846676135582
Energy: 1.3333939511805109
Energy: 1.4821619296487212
Energy: 1.3188146371367744
Energy: 1.4821359280310549
Energy: 1.3232529403627864
Energy: 1.3450221383687189
Energy: 1.3690053722448332
Energy: 1.3873634243451716
Energy: 1.3227567287125381
Energy: 1.3680873689061692
Energy: 1.353589997056366
Energy: 1.3605694336893897
Energy: 1.4897969563299789
Energy: 1.4413528880964146
Energy: 1.3393590737494225
Energy: 1.5597384171027477
Energy: 1.487988400209319
Energy: 1.331583724906188
Energy: 1.4536240455123783
Energy: 1.4813899319848893
Energy: 1.5398880526953576
Energy: 1.490492698082927
Energy: 1.4522733021839187
Energy: 1.3439236612724192
Energy: 1.5687811304564774
Energy: 1.367989179929146
Energy: 1.3423569883378175
Energy: 1.3870629369390455
Energy: 1.4442028341912285
Energy: 1.3726998657833254
Energy: 1.4852829802843757
Energy: 1.3382491789003232
Energy: 1.3261885236533697
Energy: 1.5312580808152287
Energy: 1.4846903028626999
Energy: 1.3832725825249117
Energy: 1.3858849653151741
Energy: 1.4862838989054419
Energy: 1.3391551754750777
Energy: 1.3877006501163465
Energy: 1.355451813374644
Energy: 1.364704438194004
Energy: 1.3633177697160235
Energy: 1.4826948372589368
Energy: 1.4503684063661282
Energy: 1.4487367511705302
Energy: 1.3619895632765227
Energy: 1.4073464171289416
Energy: 1.385635072556745
Energy: 1.3329873382773092
Energy: 1.3871539579955132
Energy: 1.4847352876905338
Energy: 1.3524696118220791

minimum gb energy = 1.3188146371367744 eV
minimum distance =  2.25444873244632 Angstroms
sigma value = 27


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

Energy: 1.609690103011168
Energy: 1.5166264633265534
Energy: 1.5610646076461534
Energy: 1.5338577694636881
Energy: 1.3752527204894196
Energy: 1.5245924301890779
Energy: 1.3852692607528778
Energy: 1.395455483534417
Energy: 1.3893499487028442
Energy: 1.5270938063175519
Energy: 1.5693707042105998
Energy: 1.3861817188209122
Energy: 1.388362400642072
Energy: 1.378426610990633
Energy: 1.6598263404424165
Energy: 1.8625812289101105
Energy: 1.5207695230970268
Energy: 1.3765226383645255
Energy: 1.357879619998083
Energy: 1.3811910017818365
Energy: 1.529115517524721
Energy: 1.345695954380388
Energy: 1.6672438997158787
Energy: 1.3788348238284238
Energy: 1.6631625457304773
Energy: 1.6014649272500923
Energy: 1.4491093095265326
Energy: 1.3820567983874472
Energy: 1.4861132954306993
Energy: 1.6033393032860894
Energy: 1.3484729903928974
Energy: 1.5432892278627104
Energy: 1.4595643229857977
Energy: 1.3544261390899248
Energy: 1.5238043330560465
Energy: 1.3669479504435083
Energy: 1.353308297072709
Energy: 1.5302181065494243
Energy: 1.463258413538569
Energy: 1.4699638211719859
Energy: 1.4812770383135148
Energy: 1.6641946734163169
Energy: 1.379708102994139
Energy: 1.6297732538646437
Energy: 1.388494312872062
Energy: 1.3617215320678036
Energy: 1.6615383220980582
Energy: 1.3844032215244704
Energy: 1.3383368140359175
Energy: 1.3719881578299709
Energy: 1.4533750010200446
Energy: 1.381356655697934
Energy: 1.6649763933895125
Energy: 1.3838599442177593
Energy: 1.3225159627508702
Energy: 1.5709528100649637
Energy: 1.8695757075221022
Energy: 1.3859434120573464
Energy: 1.4513185373509787
Energy: 1.4448143383566197
Energy: 1.3915355259016104
Energy: 1.672583677509914
Energy: 1.398633778853404
Energy: 1.389171918016304
Energy: 1.3872526464640058
Energy: 1.905190877817054
Energy: 1.4038166890366512
Energy: 1.7008246503162132
Energy: 1.394231903141355
Energy: 1.3862309122676901
Energy: 1.3558419619172373
Energy: 1.3332847811317174
Energy: 1.3233783841219062
Energy: 1.318728267105492
Energy: 1.301149911256934
Energy: 1.329112769200864
Energy: 1.4495320241134164
Energy: 1.3187225572042591
Energy: 1.3386121867495804
Energy: 1.3190594078452764
Energy: 1.3969477160593584
Energy: 1.3976642320467618
Energy: 1.328410226173234
Energy: 1.3594432944403918
Energy: 1.3820242328535164
Energy: 1.6789347510389248
Energy: 1.3724348835834874
Energy: 1.3478075197600052
Energy: 1.3906926728941575
Energy: 1.777513221357164
Energy: 1.3516514864808884
Energy: 1.4714778433582363
Energy: 1.3799226798005884
Energy: 1.396400887350298
Energy: 1.3934431298381313
Energy: 1.3069297405934126
Energy: 1.3298165189558515
Energy: 1.4353649994923536
Energy: 1.638575888369625
Energy: 1.339277021827872
Energy: 1.5411413451431186
Energy: 1.359580177499672
Energy: 1.3846126399434953
Energy: 1.4583776047792218
Energy: 1.3771246162686883
Energy: 1.3503017282357852
Energy: 1.531952754791635
Energy: 1.4572061733263153
Energy: 1.3431773731657322
Energy: 1.4764119422244184
Energy: 1.5525884376753452
Energy: 1.3464368018400248
Energy: 1.507712517892268
Energy: 1.4753954175139121
Energy: 1.3777904938125045
Energy: 1.4967010511931405
Energy: 1.592173508659497
Energy: 1.3678407560122343
Energy: 1.6068238765724854
Energy: 1.3839781352579608
Energy: 1.4056294135215401
Energy: 1.5023296984629428
Energy: 1.3970337019998276
Energy: 1.3529965602628473
Energy: 1.3916038866570597
Energy: 1.3717111940071713
Energy: 1.3221121313378617
Energy: 1.5950677053581084
Energy: 1.3588052544066933
Energy: 1.3388470639384902
Energy: 1.3777927667545922
Energy: 1.5360406923371184
Energy: 1.3815241498321609
Energy: 1.3890672466915934
Energy: 1.4774897812099914
Energy: 1.5901207321664979
Energy: 1.5553005332919987
Energy: 1.3950280719915018
Energy: 1.392864926714363
Energy: 1.485485331794212
Energy: 1.4643537470862902
Energy: 1.4762860580976607
Energy: 1.510533305302851
Energy: 1.3805664782106455
Energy: 1.389024285037517
Energy: 1.4372038122880548
Energy: 1.524095293479261
Energy: 1.5182347554815268
Energy: 1.3540094253693011
Energy: 1.3622450371754715

minimum gb energy = 1.301149911256934 eV
minimum distance =  2.24469579310348 Angstroms
sigma value = 19


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

Energy: 1.4221881135232968
Energy: 1.3001952706127153
Energy: 1.3182613109558965
Energy: 1.3217948089387601
Energy: 1.3180803578748157
Energy: 1.3481225260798504
Energy: 1.3151337765125228
Energy: 1.289384185786251
Energy: 1.3066222037460866
Energy: 1.3260993704564144
Energy: 1.3122834656251736
Energy: 1.2884986443726947
Energy: 1.3158948072860015
Energy: 1.2714362250639915
Energy: 1.6852152159663525
Energy: 1.680052242602377
Energy: 1.2718462421717769
Energy: 1.2731463094236766
Energy: 1.2757863655411341
Energy: 1.2704248363694661
Energy: 1.2712616727026056
Energy: 1.2908261277132747
Energy: 1.407431074459446
Energy: 1.2897559200160957
Energy: 1.2496650237841271
Energy: 1.516578745594968
Energy: 1.2879177345977542
Energy: 1.274596691312813
Energy: 1.474180322163082
Energy: 1.6041479483286774
Energy: 1.2708999344600154
Energy: 1.541802647160887
Energy: 1.2881171059052885
Energy: 1.28160917905856
Energy: 1.3400984434264047
Energy: 1.2705944240469096
Energy: 1.2788047513070724
Energy: 1.4943796136593372
Energy: 1.4662851223586115
Energy: 1.273639078671902
Energy: 1.4572303551869683
Energy: 1.4211920425824691
Energy: 1.2823728247948845
Energy: 1.470285025708865
Energy: 1.2789194798237054
Energy: 1.2782555732499532
Energy: 1.4893181433133968
Energy: 1.287897958290173
Energy: 1.2833382254331216
Energy: 1.388578836024493
Energy: 1.471782657464009
Energy: 1.2745259285030908
Energy: 1.4289039185207995
Energy: 1.3879139016548203
Energy: 1.2836137029797787
Energy: 1.4532015958437219
Energy: 1.2706457611900543
Energy: 1.2740686601277884
Energy: 1.6318239941114108
Energy: 1.27357916563793
Energy: 1.2666995561944345
Energy: 1.3172173194780648
Energy: 1.3213279228089665
Energy: 1.315971798365233
Energy: 1.2711863490971127
Energy: 1.8534100208192381
Energy: 1.2760613216254504
Energy: 1.7001062412565209
Energy: 1.4522708718820219
Energy: 1.2682448902381689
Energy: 1.275184122638368
Energy: 1.3053760663609888
Energy: 1.3291326002382597
Energy: 1.3297009239234931
Energy: 1.725161980585769
Energy: 1.303105724313177
Energy: 1.287337519725827
Energy: 1.3263354212078593
Energy: 1.3232093936096416
Energy: 1.2866510973404877
Energy: 1.3149075208811536
Energy: 1.2868367615593463
Energy: 1.5234519006434017
Energy: 1.4036346075796158
Energy: 1.3397899607543589
Energy: 1.5001198897321397
Energy: 1.3202520797419157
Energy: 1.3199449462257724
Energy: 1.2709445242807245
Energy: 1.2871957136917989
Energy: 1.3566547837766376
Energy: 1.3799347668143138
Energy: 1.291090790820772
Energy: 1.3187614893389452
Energy: 1.2857270636991907
Energy: 1.3009673859477313
Energy: 1.272567813905918
Energy: 1.2746899518388057
Energy: 1.7085490275466124
Energy: 1.288485215354968
Energy: 1.356402560599353
Energy: 1.271441895918443
Energy: 1.2737203344037087
Energy: 1.2722072821240324
Energy: 1.2811476792006153
Energy: 1.2910459531740992
Energy: 1.675610198025284
Energy: 1.2720074750390313
Energy: 1.2538971896546178
Energy: 1.5789832675285134
Energy: 1.3285555885162117
Energy: 1.2733474785342689
Energy: 1.377557954802813
Energy: 1.5741338767880724
Energy: 1.268860300934348
Energy: 1.5519235520914925
Energy: 1.3416584563640608
Energy: 1.316747074114081
Energy: 1.342198593571865
Energy: 1.273423395209623
Energy: 1.2861201060911887
Energy: 1.4895052789101184
Energy: 1.4472854091155822
Energy: 1.2734435401694024
Energy: 1.4489428979619796
Energy: 1.2812907838948226
Energy: 1.283667366655273
Energy: 1.4679291566226813
Energy: 1.2795112413127478
Energy: 1.2754756042926088
Energy: 1.4792077371364263
Energy: 1.4119510320353064
Energy: 1.2836682876115706
Energy: 1.3406241789401698
Energy: 1.4136365946637452
Energy: 1.2737809454001043
Energy: 1.4217957144890954
Energy: 1.3756105681822626
Energy: 1.285440042755397
Energy: 1.3873233503716695
Energy: 1.581532116386594
Energy: 1.2685764426551889
Energy: 1.4374298772990886
Energy: 1.3534914925467454
Energy: 1.325548699706818
Energy: 1.2700432917532642
Energy: 1.2725078712982447
Energy: 1.3244763841185379
Energy: 1.272375699475346
Energy: 1.286432144464868
Energy: 1.2724212404250486
Energy: 1.537170642650499
Energy: 1.429596673404667
Energy: 1.2678014993920532
Energy: 1.3756127919751613
Energy: 1.272831726341612
Energy: 1.3256792277226712
Energy: 1.2842886725026723
Energy: 1.2699226324509074
Energy: 1.287972112649248
Energy: 1.2863763020316437
Energy: 1.3197241101446298
Energy: 1.3331927095611855
Energy: 1.4516173295666324
Energy: 1.5789808442442799
Energy: 1.3262874037115582
Energy: 1.2856397277201541
Energy: 1.316681816116671
Energy: 1.2887996525187984
Energy: 1.5207555245986788
Energy: 1.358565220057129
Energy: 1.3184655267877383
Energy: 1.2840245304067963
Energy: 1.2526896303881847

minimum gb energy = 1.2496650237841271 eV
minimum distance =  2.26864116827777 Angstroms
sigma value = 101


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

Energy: 2.31888012384774
Energy: 1.5655063306501324
Energy: 1.271704415425528
Energy: 1.2835567255589773
Energy: 1.2832847659997757
Energy: 1.696452835577361
Energy: 1.2754632025315529
Energy: 1.2458979244593782
Energy: 1.2548037987651555
Energy: 1.3009538474410853
Energy: 1.2601675282196194
Energy: 1.3567540720912055
Energy: 1.286151969541145
Energy: 1.2281311623005682
Energy: 1.682015635822319
Energy: 1.6701695519178617
Energy: 1.225841284257999
Energy: 1.3388370755756287
Energy: 1.2486572837933376
Energy: 1.2495862440020384
Energy: 1.2315334428270048
Energy: 1.2450295063749302
Energy: 1.2323579472628114
Energy: 1.2519165376907155
Energy: 1.2299722557856583
Energy: 1.3688353428562074
Energy: 1.2404427814581833
Energy: 1.2684084455809321
Energy: 1.4518289050061584
Energy: 1.4880801013798715
Energy: 1.247179519148066
Energy: 1.2307878763214253
Energy: 1.2278754061442685
Energy: 1.2233132791159118
Energy: 1.2222258463863154
Energy: 1.2283925446830264
Energy: 1.2259614496447955
Energy: 1.4325069737727885
Energy: 1.4657140629931524
Energy: 1.2243528059188848
Energy: 1.4463372175392255
Energy: 1.399371107992545
Energy: 1.233671200415465
Energy: 1.3325987014616698
Energy: 1.223189866848563
Energy: 1.220990633656458
Energy: 1.473857877368918
Energy: 1.231765041280959
Energy: 1.2290313466281064
Energy: 1.404527542528733
Energy: 1.4533139292272639
Energy: 1.2238532116633443
Energy: 1.4305157031400138
Energy: 1.3917493227443791
Energy: 1.2287892054932805
Energy: 1.4169543125748665
Energy: 1.2362537873592025
Energy: 1.2286136353389436
Energy: 1.5045701995549532
Energy: 1.2290089354834133
Energy: 1.2484879769954687
Energy: 1.3775218552642612
Energy: 1.2234121493017143
Energy: 1.2287238225297872
Energy: 1.3053414870689342
Energy: 1.3602879209436234
Energy: 1.2490022615482317
Energy: 1.6055230963143496
Energy: 1.2976953114454026
Energy: 1.2242758593364071
Energy: 1.3686442406777297
Energy: 1.245628848172539
Energy: 1.2510106865515411
Energy: 1.243305323015243
Energy: 1.2479188904421865
Energy: 1.241930467628934
Energy: 1.5059168047060965
Energy: 1.239398444020601
Energy: 1.2263807983350314
Energy: 1.2423907047211937
Energy: 1.2558885676381686
Energy: 1.2443350642210407
Energy: 1.2478076852934041
Energy: 1.336193383815943
Energy: 1.2640379295589188
Energy: 1.4427420508235806
Energy: 1.2892518664158032
Energy: 1.5391125557721073
Energy: 1.2493904394000062
Energy: 1.2417361838997623
Energy: 1.2610999367198021
Energy: 1.2700919721715944
Energy: 1.3311794255229596
Energy: 1.2900114419597544
Energy: 1.2562334752601496
Energy: 1.2614586164537869
Energy: 1.2805585688495147
Energy: 1.263047229731734
Energy: 1.4035380811988434
Energy: 1.2557690477911336
Energy: 1.3693174332847877
Energy: 1.2663871971261662
Energy: 1.2886809529042063
Energy: 1.2564173083704786
Energy: 1.3173691474247968
Energy: 1.3197001786580393
Energy: 1.4803582855801916
Energy: 1.2566838137096514
Energy: 1.2583033056229125
Energy: 1.2255123775986398
Energy: 1.3097815384870304
Energy: 1.2242202696175628
Energy: 1.3999548439208356
Energy: 1.6756014112127608
Energy: 1.2742697373136316
Energy: 1.2359079421867885
Energy: 1.249647089502809
Energy: 1.248965934104807
Energy: 1.2510490439556006
Energy: 1.2323176019698543
Energy: 1.224244788312617
Energy: 1.2296880754661603
Energy: 1.5803175479805958
Energy: 1.2215941014143954
Energy: 1.3716319150825627
Energy: 1.2922395721859252
Energy: 1.221248564764129
Energy: 1.2913761136439752
Energy: 1.2289743524966412
Energy: 1.2508516580296867
Energy: 1.2958422516740533
Energy: 1.2263973704511157
Energy: 1.2231476578413887
Energy: 1.4393553139817234
Energy: 1.3411075194191209
Energy: 1.2292471277350074
Energy: 1.4447970749457215
Energy: 1.4507952216906097
Energy: 1.225511395603305
Energy: 1.4719676618809645
Energy: 1.3283380965172589
Energy: 1.2291288006507204
Energy: 1.3925572447283394
Energy: 1.224109433733718
Energy: 1.223778307718066
Energy: 1.4232104703791828
Energy: 1.3853232886127558
Energy: 1.2294664567412028
Energy: 1.3937746612605517
Energy: 1.2295719153765252
Energy: 1.2235658162742784
Energy: 1.468557142581612
Energy: 1.229063240455392
Energy: 1.2325549549798636
Energy: 1.4097065333415173
Energy: 1.3985772582765885
Energy: 1.2238730813303982
Energy: 1.2959642340506847
Energy: 1.6128239346756477
Energy: 1.2474883928571148
Energy: 1.3765391499625637
Energy: 1.2340596838238287
Energy: 1.2288992177063647
Energy: 1.4295899791469842
Energy: 1.592159041551389
Energy: 1.2409235470347995
Energy: 1.3710913387914925
Energy: 1.2318271522480981
Energy: 1.2382372041324632
Energy: 1.2478345115066407
Energy: 1.3202504982952579
Energy: 1.2471298472650918
Energy: 1.2485365752173219
Energy: 1.25406538575764
Energy: 1.2379973100571815
Energy: 1.257269997986542
Energy: 1.3080593142467538
Energy: 1.2353247672572678
Energy: 1.440799658847415
Energy: 1.2399073605280944
Energy: 1.2961253321783086
Energy: 1.2538240524413435
Energy: 1.4723889332212967
Energy: 1.2670670075025567
Energy: 1.2542684854100759
Energy: 1.3017000609127924
Energy: 1.2908212913603645
Energy: 1.4188648204252028
Energy: 1.2482730979099899
Energy: 1.2584389596663974
Energy: 1.2541504783648487
Energy: 1.2640980438154568
Energy: 1.2689113457373886
Energy: 1.4779934358027476
Energy: 1.2724671067117137
Energy: 1.282514167913189
Energy: 1.3310911964204089
Energy: 1.2630734016522538

minimum gb energy = 1.220990633656458 eV
minimum distance =  2.28716776748881 Angstroms
sigma value = 33


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

Energy: 0.014917206427649808
Energy: 0.015476403252614547
Energy: 0.0953738348935294
Energy: 0.09528461551663925
Energy: 0.09677879230212144
Energy: 0.015362919243936906
Energy: 0.01527568668576074
Energy: 0.10942581191806225
Energy: 0.10948972540138993
Energy: 0.11025921742273495
Energy: 0.10921690368777957
Energy: 0.10943739533768655
Energy: 1.0132027214064891
Energy: 0.09539228193464037
Energy: 0.01553884466735401
Energy: 0.016559071444251842
Energy: 0.09634287998324105
Energy: 0.09524990708775487
Energy: 0.015275686686428244
Energy: 0.10942581191806225
Energy: 0.10948972540138993
Energy: 0.11025921742273495
Energy: 0.10921690368777957
Energy: 0.10943739533768655

minimum gb energy = 0.014917206427649808 eV
minimum distance =  2.45359627968934 Angstroms
sigma value = 1