Model name: model_name=MEAM_LAMMPS_ChoiKimSeol_2017_CoFe__MO_179158257180_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=2.863657310605049
cohesive_energy=4.29033744093271
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.8556409774987998e-19, 2.4558483881278797e-19, 3.6251489391537603e-19, 4.0814328227506194e-19, 4.466163497873039e-19, 4.7975577128496e-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, 6.8531503342715995e-19, 6.825224395540979e-19, 6.78207777878736e-19, 6.72084258783588e-19, 6.638154251755139e-19, 6.52978302423138e-19, 6.390537852970439e-19, 6.21410616203436e-19, 5.99265330768288e-19, 5.716470099513959e-19, 5.37333192981018e-19, 4.94780983758612e-19, 4.42026113730894e-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: 0.013185072551686957
Energy: 0.013567211568094602
Energy: 0.22611846487996487
Energy: 0.22624380095539562
Energy: 0.226124357522434
Energy: 0.013254604332599422
Energy: 0.013567211568094602
Energy: 1.109390259225053
Energy: 0.22622260417977433
Energy: 0.22613034425708753
Energy: 0.22620443644305097
Energy: 0.22619655259322297
Energy: 0.22611846487996487
Energy: 0.22622260417977433
Energy: 1.1104552783128607
Energy: 0.013443683803008876
Energy: 0.22620871789642755
Energy: 0.2262889796436754
Energy: 0.22624380095539562
Energy: 0.22613034425658776
Energy: 0.013443683803008876
Energy: 0.013333711113611299
Energy: 0.22661097420293552
Energy: 0.2262640194800907
Energy: 0.226124357522434
Energy: 0.22620443644305097
Energy: 0.22620871789642755
Energy: 0.22661097420293552
Energy: 1.109160912397346
Energy: 0.2261568978189299
Energy: 0.013254604332599422
Energy: 0.22619655259322297
Energy: 0.22628897964417516
Energy: 0.2262640194800907
Energy: 0.22615689781940188
Energy: 0.013326132756182558

minimum gb energy = 0.013185072551686957 eV
minimum distance =  2.47901469777313 Angstroms
sigma value = 1


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

Energy: 1.932818290680017
Energy: 1.2315363014283678
Energy: 1.2371440242165102
Energy: 1.256584418600029
Energy: 1.2362424377125512
Energy: 1.2317196216237476
Energy: 1.3346852190399188
Energy: 1.26003471314844
Energy: 1.2318001675894747
Energy: 1.2056397850394156
Energy: 1.232046698934306
Energy: 1.2341185210099725
Energy: 1.207747152689418
Energy: 1.2335002435571254
Energy: 1.2607560114002103
Energy: 1.2475273590159315
Energy: 1.2362031385046426
Energy: 1.2347195129212905
Energy: 1.2486198816396594
Energy: 1.2311177262133817
Energy: 1.2513330858936274
Energy: 1.3094632352843238
Energy: 1.2308362047505903
Energy: 1.2324459329469295
Energy: 1.272553803399783
Energy: 1.2312474106838398
Energy: 1.2323168638942532
Energy: 1.2743198503407227
Energy: 1.2321095426593613
Energy: 1.2316579105826242
Energy: 1.2508803894534133
Energy: 1.2489214922994951
Energy: 1.2502952957959605
Energy: 1.2311786991969693
Energy: 1.2497735126656526
Energy: 1.2491968113860614
Energy: 1.2500303622320907
Energy: 1.248908570376697
Energy: 1.2501482792790994
Energy: 1.309666477543511
Energy: 1.2496327503999591
Energy: 1.2490788413362572
Energy: 1.2049519215236286
Energy: 1.205343186059083
Energy: 1.2358233574868769
Energy: 1.2104957316652392
Energy: 1.249904223588891
Energy: 1.2049866359605252
Energy: 1.2018843049423693
Energy: 1.2489584981466875
Energy: 1.2498119993320238
Energy: 1.2556735598453972
Energy: 1.2494690597324138
Energy: 1.262982642185393
Energy: 1.206711602015773
Energy: 1.2489128042221935
Energy: 1.2500603250663045
Energy: 1.2331544720419758
Energy: 1.2496956966303032
Energy: 1.2514435324883222
Energy: 1.2062982571988246
Energy: 1.271602343432063
Energy: 1.2315659602644609
Energy: 1.2062402114273436
Energy: 1.2312139254016647
Energy: 1.2050865730194538
Energy: 1.2481327781641318
Energy: 1.2319192585517322
Energy: 1.2318863625465906
Energy: 1.2965684181803994
Energy: 1.2317670560336953
Energy: 1.2316805259312704
Energy: 1.2712599595702727
Energy: 1.2319434981887183
Energy: 1.2318515323858996
Energy: 1.2981220399801203
Energy: 1.23183312819074
Energy: 1.2315149505798835
Energy: 1.2049578661918197
Energy: 1.2319730734682268
Energy: 1.2314175102280844
Energy: 1.2081398831876824
Energy: 1.231861077171448
Energy: 1.2321411021555895
Energy: 1.2492522470110867
Energy: 1.230626011319254
Energy: 1.2310733657753021
Energy: 1.23381075869213
Energy: 1.231143804251833
Energy: 1.2515408377537958
Energy: 1.2064425169219481
Energy: 1.2341133395372144
Energy: 1.233189062177906
Energy: 1.2533295917796066
Energy: 1.233154837249107
Energy: 1.2371485892987093
Energy: 1.2097373663170752
Energy: 1.2317646248024
Energy: 1.210545888771471
Energy: 1.205708663166682
Energy: 1.2489163984926077
Energy: 1.233513833067271
Energy: 1.2560534750493824
Energy: 1.249415742156705
Energy: 1.2486870453669379
Energy: 1.2491267187824557
Energy: 1.2485380493530491
Energy: 1.2497461992462682
Energy: 1.2582456103808044
Energy: 1.249650042777449
Energy: 1.2641420618712145
Energy: 1.251345394294985
Energy: 1.2493087751589453
Energy: 1.2492211817739254
Energy: 1.2729425794937066
Energy: 1.2502514392448176
Energy: 1.2094995832922861
Energy: 1.2592223229418957
Energy: 1.248982674979669
Energy: 1.2326816692853149
Energy: 1.255867856434571
Energy: 1.2494919821063826
Energy: 1.2513712088265783
Energy: 1.251372565905109
Energy: 1.2487724151959059
Energy: 1.249392900185806
Energy: 1.2049554412192707
Energy: 1.2494711037830233
Energy: 1.2485687850371394
Energy: 1.203345286003219
Energy: 1.2487641493423447
Energy: 1.2373632683782338
Energy: 1.330438548100275
Energy: 1.2599213621876304
Energy: 1.232418297981377
Energy: 1.2565731544021477
Energy: 1.2320411713060853
Energy: 1.2346170823645226

minimum gb energy = 1.2018843049423693 eV
minimum distance =  2.24034820455419 Angstroms
sigma value = 33


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

Energy: 2.5563976471575223
Energy: 1.3038966995657761
Energy: 1.2949268649091124
Energy: 1.2868171908175499
Energy: 1.29465673638767
Energy: 1.3025555978969354
Energy: 1.448524331641811
Energy: 1.3042804382154565
Energy: 1.289340158735341
Energy: 1.293303167491651
Energy: 1.286482058767999
Energy: 1.3060350487603511
Energy: 1.3813568722102774
Energy: 1.3043995443644292
Energy: 1.3420002496699484
Energy: 1.2730889641695666
Energy: 1.3042867904977682
Energy: 1.3046568927530435
Energy: 1.3562593470435709
Energy: 1.3036777953441425
Energy: 1.3029439796565616
Energy: 1.3705349004757115
Energy: 1.3029355908950013
Energy: 1.303853124394867
Energy: 1.3864839214746698
Energy: 1.3032831066054429
Energy: 1.2816842855160486
Energy: 1.3861020031094777
Energy: 1.3174376693754597
Energy: 1.303849865002678
Energy: 1.2851001761337797
Energy: 1.3129860155404554
Energy: 1.3131058612188913
Energy: 1.2832483469184548
Energy: 1.3141550944477811
Energy: 1.3127666601626866
Energy: 1.2844098962897035
Energy: 1.3136759998690595
Energy: 1.3133096163581581
Energy: 1.310179991107694
Energy: 1.313491753016268
Energy: 1.312843411232669
Energy: 1.310191967188322
Energy: 1.283543023286328
Energy: 1.28418773923868
Energy: 1.2823254837819495
Energy: 1.3138774157254036
Energy: 1.2831285996179986
Energy: 1.2917741688111053
Energy: 1.3044372499064674
Energy: 1.3051277411867561
Energy: 1.3573746498148163
Energy: 1.3039874955970578
Energy: 1.3180399671592853
Energy: 1.2562815265122576
Energy: 1.3029578419994798
Energy: 1.303787609978221
Energy: 1.3317232673183144
Energy: 1.3028195518799497
Energy: 1.298837217256427
Energy: 1.3530763815214029
Energy: 1.2829499578365955
Energy: 1.304163603308052
Energy: 1.3700434857046182
Energy: 1.3028015540778288
Energy: 1.2816791930765201
Energy: 1.2823713155959104
Energy: 1.2821617190478158
Energy: 1.2827573942633705
Energy: 1.2708877303977688
Energy: 1.281971345286453
Energy: 1.2819821416718373
Energy: 1.272527172763912
Energy: 1.2818849464937254
Energy: 1.283041279580641
Energy: 1.263473542669199
Energy: 1.2823538714435023
Energy: 1.2822221552237212
Energy: 1.284008276780642
Energy: 1.2550281717725356
Energy: 1.3040974995716546
Energy: 1.3805610180517354
Energy: 1.303143765282643
Energy: 1.2831842609334447
Energy: 1.2813636623558649
Energy: 1.3071692798376338
Energy: 1.308176457625913
Energy: 1.3320562583749362
Energy: 1.3080913802670207
Energy: 1.3070929561972044
Energy: 1.2753356508820761
Energy: 1.3077465639738788
Energy: 1.3085455857064128
Energy: 1.3573334330653983
Energy: 1.3089032198138777
Energy: 1.3528084233500686
Energy: 1.283572357491102
Energy: 1.2553800064827791
Energy: 1.3044093708975917
Energy: 1.3791603007434767
Energy: 1.308308130002465
Energy: 1.2551679254526829
Energy: 1.2576684232040576
Energy: 1.3071941815178987
Energy: 1.3074885171071515
Energy: 1.452744993033904
Energy: 1.3076508074777058
Energy: 1.3097008671245796
Energy: 1.2546838302741214
Energy: 1.307351253536555
Energy: 1.3081920736971688
Energy: 1.30285471372292
Energy: 1.3080820859274043
Energy: 1.307293051757129
Energy: 1.2837349500983017
Energy: 1.28207007462863
Energy: 1.3040617346991683
Energy: 1.3861018604020143
Energy: 1.3028411887689237
Energy: 1.2828726883484887
Energy: 1.2747172982206392
Energy: 1.2828637315947968
Energy: 1.2974582437254623
Energy: 1.2543708884034643
Energy: 1.2825996990612596
Energy: 1.2831249809805572
Energy: 1.2828379274771677
Energy: 1.2843983409267243
Energy: 1.3064242735627425
Energy: 1.2802385869928667
Energy: 1.2874051916344453
Energy: 1.2844857513042607
Energy: 1.384106948903454
Energy: 1.3442975830671984
Energy: 1.3074852593468758
Energy: 1.3782971091887122
Energy: 1.30663320153432
Energy: 1.3097045546525339
Energy: 1.2539711823253494
Energy: 1.304975195325322
Energy: 1.3070476585246724
Energy: 1.3274080053641557
Energy: 1.3053452278177546
Energy: 1.3096440306478465
Energy: 1.3569270243630074
Energy: 1.3197755274334801
Energy: 1.3048523403128494
Energy: 1.3277720972237326
Energy: 1.3041973270483658
Energy: 1.310781298425416
Energy: 1.2825437751194182
Energy: 1.3130187277424898
Energy: 1.3128044555120881
Energy: 1.2824339100905708
Energy: 1.3132615947774644
Energy: 1.2860153454515488
Energy: 1.2894602025843989
Energy: 1.3133578015771927
Energy: 1.3132107359861915
Energy: 1.3766100333944098
Energy: 1.3132072527940764
Energy: 1.3128005373580642
Energy: 1.2832654925583296
Energy: 1.3135265822449436
Energy: 1.2929764709618714
Energy: 1.2850093873226471
Energy: 1.3143361959973512
Energy: 1.2826624021883084
Energy: 1.3580283526611667
Energy: 1.3068116911717822
Energy: 1.3214682312477561
Energy: 1.2820742817394013
Energy: 1.3069394955216613
Energy: 1.3064112468906917
Energy: 1.3570582519027854
Energy: 1.3057435795993313
Energy: 1.2996633656135215
Energy: 1.3125053449483857
Energy: 1.304521352861421
Energy: 1.3056329558452853
Energy: 1.3707040787213707
Energy: 1.303948979256672
Energy: 1.2883148356327427
Energy: 1.352092452702383
Energy: 1.3068721288619716
Energy: 1.3053925752614075
Energy: 1.3448913122906734
Energy: 1.2854087718510943
Energy: 1.2829292849179073
Energy: 1.2840235760074368
Energy: 1.2829502317502488
Energy: 1.3828600599975924
Energy: 1.2652755828486533
Energy: 1.2819153840412911
Energy: 1.2816706320567977
Energy: 1.2737542207744152
Energy: 1.281745175270968
Energy: 1.302890804660151
Energy: 1.3870083910354907
Energy: 1.3028047357637391
Energy: 1.2816225138518043
Energy: 1.2833530324765823
Energy: 1.2821473210402894
Energy: 1.3035616695564227
Energy: 1.3859303308407738
Energy: 1.3075942113740462
Energy: 1.3070384431231152
Energy: 1.2810400468995862
Energy: 1.3071170893197979
Energy: 1.3071600638321605
Energy: 1.3577564990388404
Energy: 1.3076268012250325
Energy: 1.3071728164223253
Energy: 1.274307205977439
Energy: 1.3072793466289054
Energy: 1.3076127203417025
Energy: 1.3808816635975194
Energy: 1.3039730196288657
Energy: 1.2551211823633537
Energy: 1.2546677213648718
Energy: 1.2553261655390329
Energy: 1.3071366120506147
Energy: 1.3575976277921022
Energy: 1.3079542101123223
Energy: 1.3073161650601723
Energy: 1.256308101673762
Energy: 1.3073667758820706
Energy: 1.3078127735767568
Energy: 1.3858624341337926
Energy: 1.3075871265201333
Energy: 1.3071807729017002
Energy: 1.2542464006780705
Energy: 1.3070066516096304
Energy: 1.3072232462389695
Energy: 1.3870040970367548
Energy: 1.3026137154264734
Energy: 1.2821805012635956
Energy: 1.2834543723869
Energy: 1.282277459117357
Energy: 1.3031811965184528
Energy: 1.2809073093586296
Energy: 1.2824487841407168
Energy: 1.2820507771299747
Energy: 1.2730439024638265
Energy: 1.2820161853987042
Energy: 1.3007135705823016

minimum gb energy = 1.2539711823253494 eV
minimum distance =  2.24205539816857 Angstroms
sigma value = 51


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

Energy: 2.365552761724507
Energy: 1.3177958524157565
Energy: 1.3283939533389109
Energy: 1.3266461096703706
Energy: 1.3279691017989048
Energy: 1.3179104303959286
Energy: 1.2507231742107918
Energy: 1.3320474397446647
Energy: 1.3134002761946453
Energy: 1.310948655304847
Energy: 1.3277628970409792
Energy: 1.3132401620152123
Energy: 1.4725937062179084
Energy: 1.3100153325815465
Energy: 1.3328687642421368
Energy: 1.3123940832105232
Energy: 1.3098244157193755
Energy: 1.3102417117426146
Energy: 1.3960665351191828
Energy: 1.3099456483563958
Energy: 1.3084025090173204
Energy: 1.4135956520409283
Energy: 1.3089659539475949
Energy: 1.310280150551147
Energy: 1.4083869996380909
Energy: 1.3111059928672886
Energy: 1.3127957160489954
Energy: 1.3150279351019702
Energy: 1.3262664832052393
Energy: 1.3133921993111064
Energy: 1.422978094645981
Energy: 1.3289231086524704
Energy: 1.310484618588938
Energy: 1.309689026034191
Energy: 1.3283338846598949
Energy: 1.3283880131620702
Energy: 1.4073078402556527
Energy: 1.3287869548591595
Energy: 1.3287377764774595
Energy: 1.5316518514299193
Energy: 1.329180186864716
Energy: 1.3285503382010977
Energy: 1.4240555950473681
Energy: 1.3268303149658442
Energy: 1.3106239787812966
Energy: 1.309573709911262
Energy: 1.328907534261709
Energy: 1.3171282715675334
Energy: 1.2507948474975652
Energy: 1.3126806190649176
Energy: 1.3107476538487535
Energy: 1.3975029793910445
Energy: 1.3104846559308152
Energy: 1.2490132769317817
Energy: 1.2512729805200444
Energy: 1.3096185701419174
Energy: 1.3108188030177528
Energy: 1.3105433978550896
Energy: 1.310044292331118
Energy: 1.3117726899323159
Energy: 1.3985006556007398
Energy: 1.312509546447633
Energy: 1.3129510677635392
Energy: 1.3109457488738685
Energy: 1.3113180128641975
Energy: 1.3090549528373452
Energy: 1.4076584172613114
Energy: 1.308832031340863
Energy: 1.3086813101315191
Energy: 1.4138696707610463
Energy: 1.3084592955659413
Energy: 1.3088469086754009
Energy: 1.3945312789195992
Energy: 1.3090937991946077
Energy: 1.309360930766347
Energy: 1.3098808993506768
Energy: 1.3083936629181643
Energy: 1.3090892770418006
Energy: 1.4077094050977892
Energy: 1.325622179220978
Energy: 1.3113634592695662
Energy: 1.311448468893988
Energy: 1.3112094925427424
Energy: 1.3080113253602623
Energy: 1.4211485117581895
Energy: 1.32709389446918
Energy: 1.3271470258423892
Energy: 1.3153209895277589
Energy: 1.3269960191823875
Energy: 1.3270489030727992
Energy: 1.4072345380100342
Energy: 1.3271008077477384
Energy: 1.3276249237173885
Energy: 1.5344894644857083
Energy: 1.327341718946414
Energy: 1.3088786828957104
Energy: 1.396718752891088
Energy: 1.3115752045188875
Energy: 1.3141683192698537
Energy: 1.3099993630756313
Energy: 1.3263791472797786
Energy: 1.3265879116013364
Energy: 1.2504657993567292
Energy: 1.3090591949338353
Energy: 1.3094751052767846
Energy: 1.394763575472677
Energy: 1.3097572073507677
Energy: 1.311824255560425

minimum gb energy = 1.2490132769317817 eV
minimum distance =  2.24162490476566 Angstroms
sigma value = 19


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

Energy: 2.1567217732649073
Energy: 1.3946709674790827
Energy: 1.3409924425079551
Energy: 1.3408342019945887
Energy: 1.3785206156867509
Energy: 1.386001546975319
Energy: 1.2872965379771204
Energy: 1.385801598876113
Energy: 1.3414421172379971
Energy: 1.3219663518127736
Energy: 1.3872042063645602
Energy: 1.385894078826631
Energy: 1.3543873518723488
Energy: 1.3844397640238604
Energy: 1.3833830095139148
Energy: 1.3198907060789127
Energy: 1.3839346770885534
Energy: 1.383645730239608
Energy: 1.404584939953972
Energy: 1.385652309366844
Energy: 1.3841020918134472
Energy: 1.4061804945591205
Energy: 1.3846636116678246
Energy: 1.3862344913782216
Energy: 1.353729893334013
Energy: 1.4011039532646952
Energy: 1.3697565929603164
Energy: 1.321655206872105
Energy: 1.4037985261165682
Energy: 1.3879847170333675
Energy: 1.3631613564235339
Energy: 1.3890604005238059
Energy: 1.369470609462576
Energy: 1.3206472933256401
Energy: 1.386901282708731
Energy: 1.38389394313425
Energy: 1.3538273538122727
Energy: 1.3996295205755616
Energy: 1.3869650933918827
Energy: 1.385950831686009
Energy: 1.3840780706051588
Energy: 1.3895739304831147
Energy: 1.3550450401088259
Energy: 1.3868382708041669
Energy: 1.3697853280195786
Energy: 1.3200439492695772
Energy: 1.3875034299939224
Energy: 1.3848675382329514
Energy: 1.3140377067459594
Energy: 1.3888198604105304
Energy: 1.3412728337060007
Energy: 1.3203045242983273
Energy: 1.3411508159503145
Energy: 1.3839165466371381
Energy: 1.3140262567707823
Energy: 1.3411797420314684
Energy: 1.3417694881584763
Energy: 1.3663726365352926
Energy: 1.3416886383733961
Energy: 1.3852461268156897
Energy: 1.3647645815935943
Energy: 1.4004642394670934
Energy: 1.3722893919886725
Energy: 1.3599452743828744
Energy: 1.3949708202661972
Energy: 1.4105507205636123
Energy: 1.3533987691521026
Energy: 1.3871915012887557
Energy: 1.3880917773114023
Energy: 1.4068569627317802
Energy: 1.387765129710669
Energy: 1.3842499228326526
Energy: 1.6582954491901543
Energy: 1.388242447956355
Energy: 1.3881512103920128
Energy: 1.4068842555328869
Energy: 1.3879993240756565
Energy: 1.3886768098966842
Energy: 1.3531438527493558
Energy: 1.3867689180665723
Energy: 1.3848489847989474
Energy: 1.3552252590248617
Energy: 1.3869888689498322
Energy: 1.4061117444586377
Energy: 1.3642573484913287
Energy: 1.3413963608705537
Energy: 1.4050385277866124
Energy: 1.2861316550101032
Energy: 1.3768267435499069
Energy: 1.3413150187488194
Energy: 1.3199106083464507
Energy: 1.3418310977040817
Energy: 1.3675303396558516
Energy: 1.3397712748440835
Energy: 1.3412740112896202
Energy: 1.3416621586882522
Energy: 1.3141968419362149
Energy: 1.341716831856998
Energy: 1.4010185450818897
Energy: 1.36000185915592
Energy: 1.4008214962451937
Energy: 1.3768037607668628
Energy: 1.348975280026091
Energy: 1.3836278067289407
Energy: 1.3851675648300503
Energy: 1.3555810896789324
Energy: 1.3840170569803394
Energy: 1.3838300630250917
Energy: 1.3506550060246505
Energy: 1.383537213638186
Energy: 1.3838981608237255
Energy: 1.5005067995515975
Energy: 1.3834206554693913
Energy: 1.4039394448294924
Energy: 1.310235075315289
Energy: 1.3871262271668987
Energy: 1.3840543791682482
Energy: 1.3554677501067718
Energy: 1.3851796769310514
Energy: 1.3475178617380792
Energy: 1.3420838564657427
Energy: 1.3839772223032285
Energy: 1.384347865556663
Energy: 1.5541492230686524
Energy: 1.383998251497852
Energy: 1.4041094039368065
Energy: 1.3422168356180695
Energy: 1.3842150995565985
Energy: 1.3856462500521902
Energy: 1.3836537231507549
Energy: 1.385592729995142
Energy: 1.3816487857865278
Energy: 1.3104868588897292
Energy: 1.3721927905246594
Energy: 1.3839468842610372
Energy: 1.3667885270979085
Energy: 1.3839142532983242
Energy: 1.3409323427622593
Energy: 1.320063741532824
Energy: 1.3410565440103517
Energy: 1.3848066449636507
Energy: 1.31403891039104
Energy: 1.340699420537261
Energy: 1.341036600100854
Energy: 1.3629472648306862
Energy: 1.3408269522756822
Energy: 1.3772237354300878
Energy: 1.3142387710135237
Energy: 1.3410006585287926
Energy: 1.340365763538685
Energy: 1.3536426254188452
Energy: 1.3699596001886771
Energy: 1.3880806216057084
Energy: 1.3517020223491898
Energy: 1.389463551295509
Energy: 1.3710863928298456
Energy: 1.3550086671082953
Energy: 1.3875884966131051
Energy: 1.3878574096040524
Energy: 1.4074550089399867
Energy: 1.3879257862467966
Energy: 1.3873010067859333
Energy: 1.3534338067178315
Energy: 1.3870139877525065
Energy: 1.3877796308301171
Energy: 1.3876305030198934
Energy: 1.3873272048201448
Energy: 1.3847566213368485
Energy: 1.3525511391802671
Energy: 1.3837677103445682
Energy: 1.3720919341434197
Energy: 1.3602070231562937
Energy: 1.3691855907110833
Energy: 1.4105094778649752
Energy: 1.3401400726005168
Energy: 1.3776655484559026
Energy: 1.341531735226532
Energy: 1.365715039469323
Energy: 1.3411496462025436
Energy: 1.3669839669812278

minimum gb energy = 1.2861316550101032 eV
minimum distance =  2.20918972095998 Angstroms
sigma value = 27


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

Energy: 1.7295877468912928
Energy: 1.3224063877564687
Energy: 1.334737137991257
Energy: 1.1939268048074754
Energy: 1.335730739540937
Energy: 1.3231208347766448
Energy: 1.182960195605323
Energy: 1.3192328032749983
Energy: 1.3068195698873897
Energy: 1.1949583467929887
Energy: 1.308088823118134
Energy: 1.3109222311339273
Energy: 1.2184549096838027
Energy: 1.306969537237334
Energy: 1.3192007077166679
Energy: 1.19149421672036
Energy: 1.3070216857875179
Energy: 1.3062004719237172
Energy: 1.1815289713955015
Energy: 1.3092733033610575
Energy: 1.3082441908885418
Energy: 1.3092886489176978
Energy: 1.308713963288979
Energy: 1.3096675979201815
Energy: 1.1952861512357893
Energy: 1.313302781040676
Energy: 1.3187834632561346
Energy: 1.1947287750892408
Energy: 1.3191523735968709
Energy: 1.3132249209733893
Energy: 1.1939996201771843
Energy: 1.3092789211978793
Energy: 1.3191574041627523
Energy: 1.1980384263106456
Energy: 1.3205071937654886
Energy: 1.3101263405620711
Energy: 1.193792122368864
Energy: 1.3357301050432837
Energy: 1.322708704842375
Energy: 1.7321553741366307
Energy: 1.3349885757085587
Energy: 1.335016693635694
Energy: 1.1937505237590638
Energy: 1.3074801611893032
Energy: 1.3100314806588549
Energy: 1.1975574908254933
Energy: 1.3201370586216372
Energy: 1.3066666386961943
Energy: 1.1911962092857582
Energy: 1.3067333897186448
Energy: 1.3063671813003646
Energy: 1.2197409987057612
Energy: 1.3070599101527884
Energy: 1.3183385548828164
Energy: 1.2074022715063528
Energy: 1.3083732668719152
Energy: 1.3099023056501815
Energy: 1.3113531155524396
Energy: 1.3091819905988593
Energy: 1.307557041346751
Energy: 1.2199088880807998
Energy: 1.319033459977064
Energy: 1.313257781910961
Energy: 1.195463176756091
Energy: 1.3132273521801436
Energy: 1.319355867644754
Energy: 1.1954579984240634
Energy: 1.3191292308218596
Energy: 1.309231783158876
Energy: 1.1949519374956663
Energy: 1.308951519700279
Energy: 1.3188580551971063

minimum gb energy = 1.1815289713955015 eV
minimum distance =  2.26414660142788 Angstroms
sigma value = 9


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

Energy: 2.7193011449635858
Energy: 1.3872227114371443
Energy: 1.359916615310276
Energy: 1.3304035084388333
Energy: 1.3618431685254682
Energy: 1.426631926752415
Energy: 1.3241487054527086
Energy: 1.491114852205464
Energy: 1.3180353907158482
Energy: 1.327370479290446
Energy: 1.3180276226139243
Energy: 1.3819040117868884
Energy: 1.3270880481967748
Energy: 1.4460038826570185
Energy: 1.4470686614276087
Energy: 1.3600816754405793
Energy: 1.4476525664608668
Energy: 1.4298343123970303
Energy: 1.2570003166279464
Energy: 1.4455533109024556
Energy: 1.4457511882754068
Energy: 1.3605710437469989
Energy: 1.4458497099388152
Energy: 1.4472195790211004
Energy: 1.3601976425823488
Energy: 1.4471387771636104
Energy: 1.4462303351682364
Energy: 1.3272165054949605
Energy: 1.4472705135690354
Energy: 1.4682906094650727
Energy: 1.3276138282135013
Energy: 1.3177044971093252
Energy: 1.4475906659013968
Energy: 1.3449644634158189
Energy: 1.4315328495988457
Energy: 1.3177152822804399
Energy: 1.2959584050851565
Energy: 1.2935255994961727
Energy: 1.4120882624917166
Energy: 1.4328776590305703
Energy: 1.2937826318707653
Energy: 1.3186543517121063
Energy: 1.295198909306565
Energy: 1.3176470788402328
Energy: 1.4893475886227776
Energy: 1.3452999511796488
Energy: 1.4397571265983038
Energy: 1.3180150343201058
Energy: 1.3073788695358357
Energy: 1.4358309834505887
Energy: 1.4409094040450277
Energy: 1.3269904043354144
Energy: 1.4884341539679486
Energy: 1.4543822491185074
Energy: 1.3057811417846135
Energy: 1.4311339519555557
Energy: 1.4268091881620864
Energy: 1.3903909474988196
Energy: 1.4266931345771987
Energy: 1.4316040629167124
Energy: 1.3030939467600395
Energy: 1.42724679815774
Energy: 1.4255611995669202
Energy: 1.3267864089801291
Energy: 1.4260325252469848
Energy: 1.450051729082149
Energy: 1.2949765102926465
Energy: 1.470356615377782
Energy: 1.390016652279775
Energy: 1.3655472378443008
Energy: 1.3896852521243854
Energy: 1.4017214440613033
Energy: 1.357873030306381
Energy: 1.4084235194597372
Energy: 1.4074439467945874
Energy: 1.3426342035564105
Energy: 1.4099422941477373
Energy: 1.4441138888705405
Energy: 1.2951241560234739
Energy: 1.4820726080899642
Energy: 1.3916528833669215
Energy: 1.3445390660550172
Energy: 1.3893756424054235
Energy: 1.4143420547892933
Energy: 1.3011432306107167
Energy: 1.5277362821998868
Energy: 1.3896228589397477
Energy: 1.344218233264122
Energy: 1.391135787454711
Energy: 1.4094433376445543
Energy: 1.3892322530813699
Energy: 1.3898119665977087
Energy: 1.3904745322429393
Energy: 1.3435751817664219
Energy: 1.3909042273757337
Energy: 1.4050751516498619
Energy: 1.25820811229673
Energy: 1.3889715091600328
Energy: 1.3896493615154664
Energy: 1.36405295416283
Energy: 1.3894404946460028
Energy: 1.4056189637625125
Energy: 1.3331734940902409
Energy: 1.427282119286836
Energy: 1.3895621921085937
Energy: 1.3271042270855855
Energy: 1.4260639374026236
Energy: 1.4187822168697068
Energy: 1.3095639907015064
Energy: 1.4421964262875102
Energy: 1.4397455463599038
Energy: 1.3963691832376701
Energy: 1.4409306007383795
Energy: 1.4411277793570278
Energy: 1.3071340561731346
Energy: 1.4285929961398711
Energy: 1.4277686203444988
Energy: 1.326656754892967
Energy: 1.4262076294407235
Energy: 1.4269731066757394
Energy: 1.293962404050683
Energy: 1.3189995776898056
Energy: 1.4888872117007108
Energy: 1.365913604592199
Energy: 1.488664935345578
Energy: 1.293848584044893
Energy: 1.2951666906177142
Energy: 1.3190836825574521
Energy: 1.3661523800050173
Energy: 1.2552720220749742
Energy: 1.3178937952298553
Energy: 1.3189541800008764
Energy: 1.323001731138498
Energy: 1.3178594794654872
Energy: 1.4190714457866922
Energy: 1.2544616102914026
Energy: 1.3176932834330657
Energy: 1.3178366628945801
Energy: 1.328115717853573
Energy: 1.4392245161564248
Energy: 1.4475734967651832
Energy: 1.366351465366356
Energy: 1.4485819384644858
Energy: 1.3191454574853678
Energy: 1.3747973519486625
Energy: 1.4475650235112345
Energy: 1.4467351369788324
Energy: 1.3276697451395292
Energy: 1.4475903683677038
Energy: 1.4472121473282185
Energy: 1.3276022430110428
Energy: 1.4469908115714936
Energy: 1.4452196186868094
Energy: 1.2570290687753907
Energy: 1.4460779214053556
Energy: 1.4478965689098426
Energy: 1.3649828221078928
Energy: 1.4459744599384095
Energy: 1.319658370397382
Energy: 1.3280918677147355
Energy: 1.3205341433926032
Energy: 1.4298813160113668
Energy: 1.3557678929647283
Energy: 1.318361501227979
Energy: 1.3193178290849155
Energy: 1.3082617213377519
Energy: 1.3186912387798333
Energy: 1.388927370871065
Energy: 1.2912225888793858
Energy: 1.3176093808943787
Energy: 1.3174698044039657
Energy: 1.2938470225404963
Energy: 1.3173893800763747
Energy: 1.4066472795250191
Energy: 1.3656041992077257
Energy: 1.4883957693987564
Energy: 1.3507453722182112
Energy: 1.2955381277129832
Energy: 1.4402411366949397
Energy: 1.3903851724313092
Energy: 1.3264776835444012
Energy: 1.42571130081035
Energy: 1.426221415584843
Energy: 1.3093603176300377
Energy: 1.4258724253211914
Energy: 1.427734520639324
Energy: 1.322235546074683
Energy: 1.4281272151294573
Energy: 1.4381858718182965
Energy: 1.2945975807790353
Energy: 1.4344672156453413
Energy: 1.4430856275451556
Energy: 1.327334774690474
Energy: 1.3912334316647865
Energy: 1.4273836880716226
Energy: 1.300637763059124
Energy: 1.430297646388059
Energy: 1.3901057825982674
Energy: 1.344042364882074
Energy: 1.3906395354680516
Energy: 1.3902258618330272
Energy: 1.3201695695500353
Energy: 1.3903692556989333
Energy: 1.3892764030494706
Energy: 1.4028091655221084
Energy: 1.389504342054296
Energy: 1.3894557730460984
Energy: 1.3240149438412694
Energy: 1.3893033450580232
Energy: 1.3893363541535388
Energy: 1.340648683134109
Energy: 1.432100524392148
Energy: 1.4310235793685564
Energy: 1.3350835693179646
Energy: 1.5277623311286395
Energy: 1.3448056324383502
Energy: 1.4062777078009256
Energy: 1.3897679078359337
Energy: 1.482811716065925
Energy: 1.2578539965718976
Energy: 1.3888789839118885
Energy: 1.3894669989594406
Energy: 1.3427594912821368
Energy: 1.3911893162494497
Energy: 1.4059859819654312
Energy: 1.322528190418643
Energy: 1.3910376493132812
Energy: 1.3895160876496306
Energy: 1.3273926595281584
Energy: 1.3911064909246647
Energy: 1.4282381562090047
Energy: 1.2993146805983984
Energy: 1.427301977278155
Energy: 1.3189112048442528
Energy: 1.357585203917722
Energy: 1.4272609565571723
Energy: 1.4342268943671557
Energy: 1.2951399270325858
Energy: 1.4323776374685453
Energy: 1.4264980864413659
Energy: 1.3275834954707584
Energy: 1.4255346882398539
Energy: 1.4256883339170165
Energy: 1.2943033948968237
Energy: 1.4261516489019024
Energy: 1.4273711460244993
Energy: 1.3662535084360665
Energy: 1.4881077086803485
Energy: 1.4839167585270934
Energy: 1.296138878944897
Energy: 1.4425234593590868
Energy: 1.3907623193823508
Energy: 1.25422718907281
Energy: 1.3186635969779534
Energy: 1.3175816870523676
Energy: 1.2934443432302105
Energy: 1.3178561497964105
Energy: 1.437220776925674

minimum gb energy = 1.25422718907281 eV
minimum distance =  2.22994939376368 Angstroms
sigma value = 57


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

Energy: 2.5247245009539108
Energy: 1.3953312271652552
Energy: 1.1929209990544742
Energy: 1.1413564379918926
Energy: 1.3335510370990993
Energy: 1.396299030142477
Energy: 1.1310224048465634
Energy: 1.3887087697447655
Energy: 1.28386594276619
Energy: 1.1370559220398058
Energy: 1.2844917839704706
Energy: 1.377698288390543
Energy: 1.1376905224141804
Energy: 1.388810478918383
Energy: 1.3915169748969138
Energy: 1.170920036825602
Energy: 1.389542625662068
Energy: 1.2851995127452964
Energy: 1.1329718339882553
Energy: 1.388737084288457
Energy: 1.3889114816577808
Energy: 1.138610173033174
Energy: 1.38900669889775
Energy: 1.1324766136247344
Energy: 1.1324869125919472
Energy: 1.3895772928578327
Energy: 1.3884317534310937
Energy: 1.1387832809164526
Energy: 1.3897273828179313
Energy: 1.3205141477776572
Energy: 1.1353117865828513
Energy: 1.2835341439511287
Energy: 1.38925057049245
Energy: 1.1388714689216939
Energy: 1.2842137502909472
Energy: 1.2824908716109433
Energy: 1.1712820408290532
Energy: 1.2987123967901402
Energy: 1.3003637001460435
Energy: 1.3164273858011704
Energy: 1.3007800606222375
Energy: 1.3009413626603292
Energy: 1.1403857274003182
Energy: 1.2837412779968254
Energy: 1.3891080224314136
Energy: 1.2872502347974537
Energy: 1.2852515497863846
Energy: 1.2837872052921953
Energy: 1.1685779881049356
Energy: 1.3926946022203441
Energy: 1.388593255227064
Energy: 1.1390966683165904
Energy: 1.3899594016562682
Energy: 1.1688424163587487
Energy: 1.1690465125773175
Energy: 1.285359819945383
Energy: 1.3779925609671277
Energy: 1.1302044308104315
Energy: 1.285409804318816
Energy: 1.169579925296234
Energy: 1.1365521011714848
Energy: 1.2851989262341137
Energy: 1.3755206323047442
Energy: 1.1301013614687416
Energy: 1.2842575191202232
Energy: 1.1376786546068505
Energy: 1.138945892403
Energy: 1.3944593778426722
Energy: 1.3764237964599504
Energy: 1.1382075829834875
Energy: 1.3946950151300077
Energy: 1.285370427502607
Energy: 1.1693689181696003
Energy: 1.3915629513302263
Energy: 1.3213927353076167
Energy: 1.2952960018259523
Energy: 1.3947652056905446
Energy: 1.3899391735318627
Energy: 1.1395455954538154
Energy: 1.3947984263372704
Energy: 1.3889865006440631
Energy: 1.131923616745418
Energy: 1.3899438343736947
Energy: 1.3944473477826431
Energy: 1.1383728345030473
Energy: 1.394681794145514
Energy: 1.2857489174411472
Energy: 1.1380705696984688
Energy: 1.285713121200654
Energy: 1.3766142593511212
Energy: 1.126904483909076
Energy: 1.284941493834926
Energy: 1.2864677626880912
Energy: 1.1374872985893438
Energy: 1.286975458273537
Energy: 1.3165814700848284
Energy: 1.1266714284744637
Energy: 1.2841327621130272
Energy: 1.2842902291673464
Energy: 1.1702429304095334
Energy: 1.2838402073227035
Energy: 1.3767010961938366
Energy: 1.138387552639835
Energy: 1.4001725835978585
Energy: 1.2996524912480598
Energy: 1.1682217910345303
Energy: 1.395637753965378
Energy: 1.3765178322433993
Energy: 1.130102549140017
Energy: 1.3757223995736203
Energy: 1.2851957924491144
Energy: 1.1684962651640378
Energy: 1.2850109607645437
Energy: 1.3939246692639007

minimum gb energy = 1.1266714284744637 eV
minimum distance =  2.23530353292024 Angstroms
sigma value = 11


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

Energy: 2.1850645572350675
Energy: 1.0917103711124914
Energy: 1.1356723076245874
Energy: 1.1366718713736461
Energy: 1.262485571550265
Energy: 1.091442933711421
Energy: 1.1353876958177096
Energy: 1.3247105128550445
Energy: 1.2025480668974782
Energy: 1.0793799344807842
Energy: 1.199949138653487
Energy: 1.3517643460083892
Energy: 1.1642740205967648
Energy: 1.333345230440069
Energy: 1.3175257353376413
Energy: 1.0792636549379755
Energy: 1.3198555915775323
Energy: 1.358164234148098
Energy: 1.1358700078858508
Energy: 1.3335929412495229
Energy: 1.317217475689546
Energy: 1.0802072245224765
Energy: 1.3195716923893983
Energy: 1.3341543092975026
Energy: 1.134189384248427
Energy: 1.3338489190559841
Energy: 1.2821041380269023
Energy: 1.1084581024031062
Energy: 1.339455786104127
Energy: 1.3334105156425884
Energy: 1.2660831068015839
Energy: 1.3283230662493475
Energy: 1.3220863801482754
Energy: 1.0502297361138
Energy: 1.3266338944506761
Energy: 1.2746881558550986
Energy: 1.2682290293445502
Energy: 1.2384786412910138
Energy: 1.3285315719471675
Energy: 1.2603351360119397
Energy: 1.3291552256772545
Energy: 1.172535735005998
Energy: 1.132527226876443
Energy: 1.3272115842573327
Energy: 1.326040420045043
Energy: 1.0511627178657026
Energy: 1.3266102410480436
Energy: 1.326546594699652
Energy: 1.271449058650244
Energy: 1.1717910104321136
Energy: 1.3534288535285537
Energy: 1.1762820707946022
Energy: 1.3300444699233906
Energy: 1.172761893016852
Energy: 1.1772178365707493
Energy: 1.1727681805652836
Energy: 1.1714244219722652
Energy: 1.2634197558125093
Energy: 1.1722700670444286
Energy: 1.1737497181786753
Energy: 1.19993723730232
Energy: 1.1719105931408555
Energy: 1.1706164028234862
Energy: 1.0911909791182166
Energy: 1.1704686293631557
Energy: 1.1728961381197822
Energy: 1.1955544690910318
Energy: 1.1733420563030275
Energy: 1.33593515567741
Energy: 1.1743838006646639
Energy: 1.1938952972655752
Energy: 1.0525778055150519
Energy: 1.1595142279580777
Energy: 1.275649562648804
Energy: 1.2743911887106423
Energy: 1.0505385263440592
Energy: 1.273885164678365
Energy: 1.0508605273425318
Energy: 1.1550505146549914
Energy: 1.05138692899414
Energy: 1.2786511352000987
Energy: 1.3385072291710853
Energy: 1.277646647658856
Energy: 1.0632108490894328
Energy: 1.1563540566304602
Energy: 1.2775448816873214
Energy: 1.3009251983589403
Energy: 1.0545929488201968
Energy: 1.310370968623313
Energy: 1.2637109767868557
Energy: 1.155913820275562
Energy: 1.3177478435772578
Energy: 1.335763398436351
Energy: 1.0536951454427481
Energy: 1.3145723435219987
Energy: 1.3146905557472341
Energy: 1.1612043463643975
Energy: 1.3149111040072783
Energy: 1.3365467205513482
Energy: 1.3346737103636743
Energy: 1.3149386882663283
Energy: 1.315564489690178
Energy: 1.2840648003313648
Energy: 1.314910770099421
Energy: 1.3109265143658326
Energy: 1.0905626356213003
Energy: 1.31177868650437
Energy: 1.316216477269699
Energy: 1.2697172512112473
Energy: 1.299159153977166
Energy: 1.3192708037685004
Energy: 1.0515773825555526
Energy: 1.3254144773950265
Energy: 1.3145709467680844
Energy: 1.1311150810134991
Energy: 1.326647589520325
Energy: 1.244335253443345
Energy: 1.0495828495115826
Energy: 1.3307868872532176
Energy: 1.3253371056773169
Energy: 1.2722630238504042
Energy: 1.3234786307573811
Energy: 1.3258616153758198
Energy: 1.093174671763322
Energy: 1.3251761925154395
Energy: 1.3137436015242256
Energy: 1.1597229543470238
Energy: 1.3366075344213877
Energy: 1.1935626352059383
Energy: 1.0494408980712002
Energy: 1.1954404897111726
Energy: 1.3585351622729016
Energy: 1.1319321253723005
Energy: 1.1676886248002443
Energy: 1.080239167164391
Energy: 1.0776823032213267
Energy: 1.0807877131660908
Energy: 1.3076938456303921
Energy: 1.1316949360677993
Energy: 1.1951838739409697
Energy: 1.1681931772955663
Energy: 1.0964826045588039
Energy: 1.1943112920354486
Energy: 1.3326759326303568
Energy: 1.216021527684092
Energy: 1.2824857062144404
Energy: 1.0960277720758451
Energy: 1.092967820016728
Energy: 1.2839408663348968
Energy: 1.3503790476899995
Energy: 1.132009861175139
Energy: 1.2001064403539774
Energy: 1.2038848903523254
Energy: 1.0981402178308295
Energy: 1.2001908104424377
Energy: 1.2343901766495111

minimum gb energy = 1.0494408980712002 eV
minimum distance =  2.19901788894857 Angstroms
sigma value = 41


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

Energy: 2.3071992602464877
Energy: 0.9688425783610348
Energy: 1.0301167767281219
Energy: 1.0301376735822831
Energy: 0.9851690905231298
Energy: 1.2548659077609143
Energy: 1.191491655473704
Energy: 1.2425087429706418
Energy: 1.074163058368815
Energy: 1.081843414541264
Energy: 1.073886484093171
Energy: 1.2381648064257615
Energy: 0.9653650881979049
Energy: 1.2006199062332232
Energy: 1.2097081112258277
Energy: 1.0750399308051533
Energy: 1.2000202960773838
Energy: 1.243166774312536
Energy: 1.2033548636183473
Energy: 1.200975884604793
Energy: 1.2107984834586716
Energy: 1.075876860707774
Energy: 1.1992619610900381
Energy: 1.225630039135072
Energy: 1.1956954310628525
Energy: 1.199492857060675
Energy: 1.2076599084982156
Energy: 1.076063043984995
Energy: 1.1997387881325887
Energy: 1.2249886077326828
Energy: 0.9649122284966782
Energy: 1.2380639151190331
Energy: 1.2002622764345583
Energy: 1.2430627017211433
Energy: 1.2401835834298485
Energy: 1.2351759970431102
Energy: 0.9656945397657922
Energy: 1.2405174224405282
Energy: 1.2374297368620715
Energy: 1.2363753298451778
Energy: 1.2388832845619013
Energy: 1.2104559778083412
Energy: 1.1927175661419387
Energy: 1.239032400256377
Energy: 1.2402259673723202
Energy: 1.1980002407339174
Energy: 1.241341113667324
Energy: 1.2279980468982283
Energy: 0.9650821259556838
Energy: 1.200601673732242
Energy: 1.2395719175951998
Energy: 1.2275119640918835
Energy: 1.2412302647424283
Energy: 1.1995470151460814
Energy: 1.0821680742073996
Energy: 1.198396360346886
Energy: 1.2014726886355593
Energy: 1.200802621633322
Energy: 1.1986031325409279
Energy: 1.1358974553895704
Energy: 1.0830530719613483
Energy: 1.2020374733103354
Energy: 1.1988677651891892
Energy: 1.2428336291708983
Energy: 1.1991175759654555
Energy: 1.1489793741268972
Energy: 1.0831733458456618
Energy: 1.137560455221057
Energy: 1.243610394923105
Energy: 1.2263641888570986
Energy: 1.198258476824538
Energy: 1.0748052488213222
Energy: 1.0798422236467786
Energy: 1.074106607132929
Energy: 1.1411478362363157
Energy: 1.2360097847041818
Energy: 1.0741624790077993
Energy: 1.0747893372514028
Energy: 0.9842540091205054
Energy: 1.0725121621419698
Energy: 1.2017363901433946
Energy: 1.2002442950274914
Energy: 1.0741669147564663
Energy: 0.9841813336941306
Energy: 0.9855860411681111
Energy: 1.0744369803751814
Energy: 1.242262483814476
Energy: 1.2259751802744019
Energy: 0.9848386892962193
Energy: 1.0747867679047007
Energy: 0.9854986457327146
Energy: 1.0748269413904856
Energy: 1.2004228128507866
Energy: 1.2320091150262489
Energy: 0.9850432664326477
Energy: 0.985131267444351
Energy: 0.983932556980657
Energy: 0.9858888339215878
Energy: 1.1624349573951547
Energy: 1.2464680056461517
Energy: 1.07545592822508
Energy: 0.9846148288858397
Energy: 1.0807240496704358
Energy: 1.0748951076677444
Energy: 1.198315284901405
Energy: 1.2506307243487864
Energy: 1.0735537450430617
Energy: 1.0730944041203228
Energy: 1.0833345261943055
Energy: 1.1990322272927438
Energy: 1.2443784705096639
Energy: 1.2267809549027824
Energy: 1.1985606610360335
Energy: 1.0726837054103757
Energy: 1.0823343550957134
Energy: 1.2014748935646804
Energy: 1.198745544785394
Energy: 1.2244303450877259
Energy: 1.1989553492830543
Energy: 1.2019976180474263
Energy: 1.0813687950220114
Energy: 1.1986444644750318
Energy: 1.2242391949428992
Energy: 1.2242370241143739
Energy: 1.1984538280587262
Energy: 1.1354420906545248
Energy: 1.2000796224393573
Energy: 1.200232319815735
Energy: 1.2399460899177739
Energy: 1.231528884901694
Energy: 1.2406419815917415
Energy: 1.1993304196886896
Energy: 1.200560428658243
Energy: 1.2371397431544517
Energy: 1.2402562969402824
Energy: 1.243103405767268
Energy: 1.2416192160353852
Energy: 1.2352873020522641
Energy: 1.4906354364854704
Energy: 1.2403937192504515
Energy: 1.2360840689825685
Energy: 1.2450070528312829
Energy: 1.2388666665909065
Energy: 1.240527184431486
Energy: 0.967374655651153
Energy: 1.237462661019283
Energy: 1.1991133830189873
Energy: 1.2436596409785248
Energy: 1.2399846545269941
Energy: 1.235069574796328
Energy: 1.076390311464447
Energy: 1.1991242626848335
Energy: 1.199735706983173
Energy: 1.1877810803507014
Energy: 1.1997359657975224
Energy: 1.1984487615669122
Energy: 1.4598564971357333
Energy: 1.201263675623758
Energy: 1.137835190613438
Energy: 0.9844308505003116
Energy: 1.1994255362778699
Energy: 1.2005883807978508
Energy: 0.9661807593719224
Energy: 1.200426352664138
Energy: 1.1516661554790988
Energy: 0.9845174341830741
Energy: 1.20052325068696
Energy: 1.2425618539571024
Energy: 0.9643568353473929
Energy: 1.1525390979589487
Energy: 1.0740547831159255
Energy: 1.0824271706073898
Energy: 1.0740064901197635
Energy: 1.238700375291974
Energy: 1.0760519744694
Energy: 0.9848706993845878
Energy: 0.9653448832504394
Energy: 0.9652963518521618
Energy: 0.9862563342742394
Energy: 1.0686651939075615
Energy: 0.9633833749461376
Energy: 0.9860007949308972
Energy: 1.0735066316964583
Energy: 0.9842737526619625
Energy: 1.0733610982221073
Energy: 1.238002208317058
Energy: 0.9658756658853345
Energy: 1.1991450166177817
Energy: 0.9861023021241369
Energy: 0.9853009078796785
Energy: 1.1784120425460225
Energy: 1.2435094252894923
Energy: 0.9570948923788312
Energy: 1.0750332261163047
Energy: 0.9872301308567831
Energy: 0.9862672152749697
Energy: 1.0764695800203448
Energy: 1.1594844576752277

minimum gb energy = 0.9570948923788312 eV
minimum distance =  2.20569776593351 Angstroms
sigma value = 33


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

Energy: 1.934330280967732
Energy: 0.8647164178650011
Energy: 0.9273277105885217
Energy: 0.9294447819720851
Energy: 0.8696285183675347
Energy: 0.8717913106178351
Energy: 1.6628684142658487
Energy: 0.9342021718225578
Energy: 0.9367078216932234
Energy: 0.9417681817040899
Energy: 0.9368314294944834
Energy: 0.9955541937733611
Energy: 1.6510450914269148
Energy: 0.9937788295984894
Energy: 1.02729833150588
Energy: 0.868632924458716
Energy: 0.9899600287205563
Energy: 1.0910905907901485
Energy: 1.5582027022441274
Energy: 0.994876690086093
Energy: 0.9872806881944389
Energy: 0.869337977053453
Energy: 0.9910497275228447
Energy: 1.060773123352588
Energy: 1.5597295079032305
Energy: 1.0471716725368636
Energy: 0.990113855783351
Energy: 1.0646028534789889
Energy: 1.0268208726039214
Energy: 1.059949925623794
Energy: 1.4792997808174637
Energy: 1.0905790320847428
Energy: 0.9956959917849674
Energy: 1.0652338618439876
Energy: 1.0945741766618573
Energy: 1.095404503536285
Energy: 1.8491984944980218
Energy: 1.0895853275877623
Energy: 1.0888559396573905
Energy: 1.0474787468959628
Energy: 1.0885571947353052
Energy: 1.093167577239158
Energy: 1.5390161044846784
Energy: 1.0914730747324775
Energy: 1.0903182048863342
Energy: 1.0530270898049132
Energy: 1.0938625658117611
Energy: 1.090868948153614
Energy: 1.652958544595484
Energy: 1.1036268029724028
Energy: 1.089626628883332
Energy: 1.0884561651331157
Energy: 1.0903862656868661
Energy: 1.1004733630730674
Energy: 1.502945807826092
Energy: 1.097794082144461
Energy: 1.0970044543887743
Energy: 1.098765489409999
Energy: 1.0979522592450444
Energy: 1.0987828235645414
Energy: 1.4196308960561292
Energy: 1.0972051399410039
Energy: 1.0980024910828117
Energy: 1.0935841304924798
Energy: 1.0995481724900389
Energy: 1.0968572099843115
Energy: 1.4177225264073479
Energy: 1.0984705946608941
Energy: 1.097118784698955
Energy: 1.0877568188798281
Energy: 1.0984483305665573
Energy: 1.0996612335266964
Energy: 1.4936451822783894
Energy: 1.0879675781121887
Energy: 1.0849155774728758
Energy: 1.1019851057439227
Energy: 1.0848888864757233
Energy: 1.0879567052958454
Energy: 1.2045002017004256
Energy: 1.0930334680981244
Energy: 1.0892527310315152
Energy: 1.0952930423391967
Energy: 1.0898329867812757
Energy: 0.9540266338172932
Energy: 1.1027160327374124
Energy: 1.0860183382574948
Energy: 1.085276476161594
Energy: 1.0983245786319678
Energy: 1.084738339448924
Energy: 1.087274914400115
Energy: 1.1774351051421326
Energy: 1.0413229858091717
Energy: 1.0921470428473776
Energy: 1.0908288988262793
Energy: 0.9524324000550539
Energy: 1.037932764980713
Energy: 0.9765898298427744
Energy: 0.919054969138564
Energy: 1.0832666477031023
Energy: 1.0814943456007868
Energy: 0.9174857664046985
Energy: 0.9519779542656315
Energy: 0.9756545357370083
Energy: 1.0371525344828785
Energy: 1.0362555092357955
Energy: 1.0995367113282897
Energy: 1.036902289120252
Energy: 0.9175537420536476
Energy: 0.97562027095009
Energy: 0.9195587367222142
Energy: 1.0805432007600362
Energy: 1.0906791152529265
Energy: 0.9166281050297198
Energy: 0.9208502394847065
Energy: 0.9758712478786051
Energy: 0.9164104345047223
Energy: 0.9776057453264775
Energy: 1.0964243075211446
Energy: 0.9174291666436964
Energy: 0.917095751678877
Energy: 0.925708115328086
Energy: 0.919764994030118
Energy: 0.867288878577584
Energy: 1.0827774563982544
Energy: 0.9192506032448235
Energy: 0.8510897347437312
Energy: 0.9264960338980511
Energy: 0.9161599423934763
Energy: 1.0742193812977199
Energy: 1.0918733282453144
Energy: 0.8515284888604001
Energy: 0.916763392034916
Energy: 0.9437083516081349
Energy: 1.0067355559096607
Energy: 0.8509261276052862
Energy: 1.0920867943068702
Energy: 0.9854581318671364
Energy: 0.8523589964412469
Energy: 0.9062178034318144
Energy: 0.8527517250447235
Energy: 1.0771073996813756
Energy: 1.0750124821186045
Energy: 0.8507597555473086
Energy: 0.8528971038793156
Energy: 0.9920308788656788
Energy: 1.0066454600055526
Energy: 0.8498617674241198
Energy: 1.0954655442378658
Energy: 1.007120779789744
Energy: 0.8524470948105356
Energy: 0.9908135628389768
Energy: 1.0314535262971898
Energy: 1.0740590933364882
Energy: 1.0908174304602025
Energy: 1.0772508392982314
Energy: 0.9196639059062416
Energy: 0.9910975156999391
Energy: 1.0297979374093027
Energy: 1.0289173284281112
Energy: 1.1029796591864325
Energy: 1.0293446197025131
Energy: 1.0309108246856695
Energy: 1.2241975225734758
Energy: 1.0311278149115568
Energy: 1.0620692904188431
Energy: 1.0928091711110017
Energy: 1.0303896242353403
Energy: 1.0326175517909937
Energy: 1.2263875432830391
Energy: 1.0296882888813534
Energy: 1.0880417008645689
Energy: 1.091153637627174
Energy: 1.0882317259211756
Energy: 1.0282438200801574
Energy: 1.2183730957002619
Energy: 1.090938945326969
Energy: 1.0826436904550178
Energy: 1.0921555158692533
Energy: 1.090971720593885
Energy: 1.0791704606428867
Energy: 1.2221483309719636
Energy: 1.0482266242197313
Energy: 1.0914211920025179
Energy: 1.0953407209572856
Energy: 1.0557210108835526
Energy: 1.0291208464898973
Energy: 1.489933896546378
Energy: 1.0799351263255867
Energy: 1.0880346735942878
Energy: 1.0929856378013907
Energy: 1.0807090325879474
Energy: 1.0805459822200632
Energy: 1.5606507194621582
Energy: 1.0963498966470102
Energy: 1.092631396888706
Energy: 1.0927182591239646
Energy: 1.0969358988975721
Energy: 1.0975266824093592
Energy: 1.52747546677634
Energy: 1.0963475100514313
Energy: 1.0946604229783579
Energy: 1.0837782395525606
Energy: 1.0962976497666477
Energy: 1.098684124825909
Energy: 1.4884116540072132
Energy: 1.096482199538954
Energy: 1.0948306929214182
Energy: 1.0846854063025688
Energy: 1.0970130850370734
Energy: 1.0964947573177395
Energy: 1.4636179925909114
Energy: 1.0911469156599793
Energy: 1.0890175733853587
Energy: 1.0890902170233239
Energy: 1.0904950250630976
Energy: 1.0984384230776563
Energy: 1.5595703786959654
Energy: 1.091218575848753
Energy: 0.9945147108447636
Energy: 0.994553034277152
Energy: 1.0008240527785672
Energy: 1.0948742712151913
Energy: 1.4604657017645342
Energy: 1.0859958369680627
Energy: 1.0922652585121067
Energy: 1.0820774694601598
Energy: 1.0947405138295425
Energy: 1.0985873131855737
Energy: 1.6474695267262258
Energy: 1.0917007965396401
Energy: 0.9947008040395474
Energy: 1.0648089754802839
Energy: 0.9944865957725508
Energy: 1.0907160232179351
Energy: 1.399606388269673
Energy: 1.0487509002643662
Energy: 0.9881901302060706
Energy: 1.046767010946102
Energy: 0.9890593979568914
Energy: 1.0815063545937091
Energy: 1.9756444999641247
Energy: 1.0475383442328652
Energy: 0.9889392287989537
Energy: 0.8687045711669324
Energy: 0.9925810525360291
Energy: 1.047612575983572
Energy: 1.6439843289761134
Energy: 1.0862695153646171
Energy: 0.9843735578420093
Energy: 0.9410604180087717
Energy: 0.9890340036187262
Energy: 1.0905112056257638
Energy: 1.620721849671956
Energy: 0.9358748040628714
Energy: 0.9106671666580326
Energy: 0.9409172700670978
Energy: 0.9368364821602058
Energy: 0.9947016399840081
Energy: 1.4116492087060797
Energy: 0.8693175415309506
Energy: 0.8676449156899005
Energy: 0.8668760129233726
Energy: 0.8676374279647273
Energy: 1.0847021758912603
Energy: 1.4598489677771527
Energy: 1.047527335769142
Energy: 0.9109020464515295
Energy: 0.8691560639674943
Energy: 0.9365895204734569
Energy: 1.0855127403195706
Energy: 1.648559812228191
Energy: 0.9916336150818943
Energy: 0.9374316388452968
Energy: 0.8704681420602153
Energy: 0.9380631485233394
Energy: 1.085967097110319
Energy: 1.6285119973853586
Energy: 0.8694242262526394
Energy: 0.867233553208724
Energy: 0.8660021502233973
Energy: 0.87021541611117
Energy: 1.0399840270218785

minimum gb energy = 0.8498617674241198 eV
minimum distance =  2.24415947933872 Angstroms
sigma value = 67


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

Energy: 0.25477589669727735
Energy: 0.25532649417182646
Energy: 0.4043400725612431
Energy: 0.49450169029688545
Energy: 0.49288521575961125
Energy: 0.2550330987631792
Energy: 0.2564513897289581
Energy: 0.40187469332792264
Energy: 0.40284774661718664
Energy: 0.40401394903328064
Energy: 0.4014150015905171
Energy: 0.40229077415320624
Energy: 1.3989358874914042
Energy: 0.4055064444204182
Energy: 0.4060151317575155
Energy: 0.4097457737679927
Energy: 0.404969806196349
Energy: 0.40537590769942333
Energy: 0.26032231525977456
Energy: 0.4081184082735017
Energy: 0.40746348007531563
Energy: 0.40705124623857636
Energy: 0.40695473246443176
Energy: 0.2595952759351053
Energy: 0.2612147944910392
Energy: 0.4091974598331575
Energy: 0.4092304742278517
Energy: 0.41023322016497976
Energy: 0.40834645303663925
Energy: 0.2610223736321975
Energy: 1.3994883449451176
Energy: 0.40646423777116825
Energy: 0.4057248405379863
Energy: 0.4051456657958891
Energy: 0.40534336578785435
Energy: 0.4063180044655386
Energy: 0.2572451358221322
Energy: 0.40319351520335495
Energy: 0.40396383223503035
Energy: 0.40873274502156653
Energy: 0.40305082341305215
Energy: 0.4033616069781912

minimum gb energy = 0.25477589669727735 eV
minimum distance =  2.43539334996595 Angstroms
sigma value = 3


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

Energy: 2.3154525628687517
Energy: 1.012082152740779
Energy: 0.844352510015586
Energy: 0.9740907903688131
Energy: 0.8407578802393435
Energy: 1.0691315482127395
Energy: 1.9409667584984005
Energy: 0.9583863797152341
Energy: 0.8388022533986297
Energy: 0.8386789961682429
Energy: 0.8386379043896482
Energy: 0.9593702560985026
Energy: 1.9250718218477976
Energy: 0.8394725036694126
Energy: 0.8390398871266278
Energy: 0.8385591888311719
Energy: 0.838146648034604
Energy: 0.8409277261485204
Energy: 1.466040612101913
Energy: 0.922868044457041
Energy: 0.83913945106879
Energy: 0.8402974954904111
Energy: 0.8394488870305775
Energy: 1.0373524863599082
Energy: 1.4663156033433258
Energy: 0.8399051113568364
Energy: 0.8389656105159599
Energy: 0.9364999538539578
Energy: 0.8389019425469108
Energy: 1.0374805000943106
Energy: 1.6386268317079518
Energy: 0.8393684041778863
Energy: 0.8387261943347897
Energy: 0.840969839560858
Energy: 0.8418415802746793
Energy: 1.06758496650082
Energy: 1.7877802212619898
Energy: 0.9588413746127178
Energy: 0.8395797178872776
Energy: 0.9409505983813322
Energy: 0.9251757971050091
Energy: 0.9590733461287827
Energy: 1.8453226465917896
Energy: 1.03978895441899
Energy: 1.0425845574510937
Energy: 0.9556384730165619
Energy: 1.0394366091170266
Energy: 1.0910909755324385
Energy: 1.7936043599189528
Energy: 0.9256490779619655
Energy: 0.8392856014721382
Energy: 0.8417339845837328
Energy: 0.8395058144772113
Energy: 0.9257320403699917
Energy: 1.6111393560039209
Energy: 1.079889764543691
Energy: 1.039292651222777
Energy: 0.9369073038781874
Energy: 1.0381078712902652
Energy: 1.0582220900011816
Energy: 1.2990780279712248
Energy: 1.077799695542761
Energy: 1.079626050264643
Energy: 1.058706415031622
Energy: 1.078422055671217
Energy: 1.0778720286384327
Energy: 1.7544562409910243
Energy: 1.0770967771386486
Energy: 1.0776224932004161
Energy: 0.9652412866639458
Energy: 1.0783882723270155
Energy: 1.0769423931226663
Energy: 1.3010581107447916
Energy: 1.0772084040686485
Energy: 1.0801283408029467
Energy: 1.0175355086523115
Energy: 1.0801422772198628
Energy: 1.096648964890268
Energy: 1.7737757439485629
Energy: 1.0897981871855913
Energy: 1.0781619301049314
Energy: 1.0787395772175192
Energy: 1.0935141867515854
Energy: 1.0884965154167392
Energy: 1.2969626359464737
Energy: 1.0919701650865
Energy: 1.0903334741580109
Energy: 1.0771495150484138
Energy: 1.091207059918315
Energy: 1.0912094009771107
Energy: 1.4803605077498467
Energy: 1.0969109742410146
Energy: 1.0914883808224047
Energy: 1.0696871902223164
Energy: 1.096105078565827
Energy: 1.0916347929399817
Energy: 1.4442299606479592
Energy: 1.0855322184982195
Energy: 1.0886395847449795
Energy: 1.0880325544481189
Energy: 1.090977856184194
Energy: 1.0786163818205605
Energy: 1.5156352788240712
Energy: 1.0802303254908998
Energy: 1.0772501845585631
Energy: 1.1134208125291996
Energy: 1.07844190308691
Energy: 1.0605456402049354
Energy: 1.4763085972720789
Energy: 1.0768809169719846
Energy: 1.077176960290822
Energy: 1.0947010377841713
Energy: 1.077245011767237
Energy: 1.0797882034517923
Energy: 1.1767933029348059
Energy: 1.076133892691997
Energy: 1.0772547662164964
Energy: 1.0977272401212763
Energy: 1.0773284395012448
Energy: 0.9624903929399569
Energy: 1.166929776170175
Energy: 1.0380565667395916
Energy: 1.0583813064064413
Energy: 1.1128179763837862
Energy: 1.039109873533388
Energy: 1.0383490563384274
Energy: 1.1662249650675525
Energy: 0.840186812591148
Energy: 0.8418529497818777
Energy: 1.0864573487813518
Energy: 0.8408189760468711
Energy: 0.8393573554114923
Energy: 0.9531508844616609
Energy: 1.038795070468805
Energy: 1.0662262121251755
Energy: 1.0883159918992427
Energy: 1.0395044115460805
Energy: 0.9668625378542033
Energy: 0.9336836986056373
Energy: 0.8397776221243027
Energy: 0.9593641641117968
Energy: 1.0859152234275393
Energy: 0.9575845451541157
Energy: 0.9244793185019505
Energy: 0.9574339161385115
Energy: 0.8438353803296883
Energy: 0.8388105915678221
Energy: 1.0876872538247309
Energy: 0.8403919874487874
Energy: 0.8397997137839055
Energy: 0.9376049240433411
Energy: 0.8392016468028106
Energy: 1.008494823640377
Energy: 1.0635871358484739
Energy: 0.8394492660338796
Energy: 0.9235677174680039
Energy: 0.8388162052778639
Energy: 0.8390362606836019
Energy: 0.8445470160237696
Energy: 1.062488434110757
Energy: 0.839596094532697
Energy: 0.8392315514004077
Energy: 0.8381492670432545
Energy: 0.8404957942798297
Energy: 0.8393353115796349
Energy: 1.0883795309128588
Energy: 0.839531741154153
Energy: 0.8384987225759581
Energy: 0.8384173306879564
Energy: 0.8386514419879193
Energy: 0.9585641853302894
Energy: 1.0852613485061546
Energy: 0.8403827240195169
Energy: 0.8383564409111215
Energy: 0.8429414730846897
Energy: 0.9231211720985915
Energy: 1.0394650652431694
Energy: 1.09058042669042
Energy: 0.9232939561437741
Energy: 0.9242676479741312
Energy: 0.9346971774404904
Energy: 0.8393333663866281
Energy: 0.9256178384797127
Energy: 1.079299386162204
Energy: 0.8407138406553522
Energy: 0.8399352778846081
Energy: 0.9361518063619354
Energy: 0.9228939017416584
Energy: 0.8406027787305752
Energy: 1.112803273450665
Energy: 0.9240229172266172
Energy: 0.9237771251120073
Energy: 0.9416138238453496
Energy: 0.9610225970669554
Energy: 0.9617999978952976
Energy: 1.0833341692042922
Energy: 0.961853076192501
Energy: 0.9362070427306672
Energy: 1.1837585064757197
Energy: 1.0381670837702484
Energy: 0.9614907179230981
Energy: 1.0757862841860624
Energy: 0.9610621021093465
Energy: 1.038855459856413
Energy: 1.193343876291698
Energy: 0.9612841427204216
Energy: 1.0392168889065485
Energy: 1.094830704784029
Energy: 0.9602001976157691
Energy: 0.8398992047676006
Energy: 1.1683081472145171
Energy: 1.0399338464569121
Energy: 1.07747872145034
Energy: 1.0585179176015247
Energy: 1.0773738165547764
Energy: 1.0465196713117764
Energy: 1.1810389386114515
Energy: 1.0806353867169673
Energy: 1.0796805054054055
Energy: 1.0786393655265294
Energy: 1.0787963888636498
Energy: 1.0784121502686719
Energy: 1.3300888721790471
Energy: 1.0837248140805855
Energy: 1.058708681430544
Energy: 1.086619123722861
Energy: 1.0807743306099147
Energy: 1.0402444457971542
Energy: 1.4627560563440911
Energy: 1.0780915904219228
Energy: 1.0907224310465267
Energy: 1.0909653380461404
Energy: 1.096868062864136
Energy: 1.0800466881569988
Energy: 1.4728168832177424
Energy: 1.0892389321298768
Energy: 1.0911566282970955
Energy: 1.046687313134736
Energy: 1.093174420113287
Energy: 1.0895383393803133
Energy: 1.6343431310794967
Energy: 1.0898725016067807
Energy: 1.0885796362652778
Energy: 1.092199278053158
Energy: 1.0894901989418908
Energy: 1.0886499383456159
Energy: 1.649898454320934
Energy: 1.0905242838051705
Energy: 1.089196580184596
Energy: 1.0816078046680493
Energy: 1.091116071378467
Energy: 1.0887415671454361
Energy: 1.7366649771640308
Energy: 1.0925022059449798
Energy: 1.0781732113698765
Energy: 1.0381177958308978
Energy: 1.0780355981365972
Energy: 1.0922843485189038
Energy: 1.6302352605057668
Energy: 1.0791906616714904
Energy: 1.0810834968021243
Energy: 1.046838576483918
Energy: 1.081766173839985
Energy: 1.0585944843459618
Energy: 1.9075897679267306
Energy: 1.0797838917713372
Energy: 1.0847606291483491
Energy: 1.0601175960950728
Energy: 1.0848591016421771
Energy: 1.0894749554516818
Energy: 1.6182968378212446
Energy: 1.0781011031449546
Energy: 1.0438507930507204
Energy: 0.9355986954449695
Energy: 1.0394417374067662
Energy: 1.0782628994056784
Energy: 1.3465963135612748
Energy: 0.9570630649016089
Energy: 0.8394375319610524
Energy: 0.926216309615414
Energy: 0.8403091871320671
Energy: 1.0649695549919869
Energy: 1.3550033522766274
Energy: 1.0380474101641979
Energy: 1.0392798307357958
Energy: 0.9372815451835459
Energy: 1.0382396755083858
Energy: 1.0632846186426963
Energy: 1.3543933389156628
Energy: 0.961206317448809
Energy: 0.9332073931039114
Energy: 0.939801714227113
Energy: 0.9598135326231904
Energy: 1.062792198245565
Energy: 1.5792284947552009
Energy: 0.8406748298023445
Energy: 0.8391200909478588
Energy: 0.9361052544521906
Energy: 0.8391842847000391
Energy: 0.839409542425322
Energy: 1.944373071116077
Energy: 0.9584872441619853
Energy: 0.8383420253682201
Energy: 0.8407650739196462
Energy: 0.8405927344809426
Energy: 0.9600556002561296

minimum gb energy = 0.838146648034604 eV
minimum distance =  2.26863643615388 Angstroms
sigma value = 81


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

Energy: 2.4612035839159363
Energy: 0.9456911775252994
Energy: 0.9295393374205134
Energy: 1.0799341750770803
Energy: 0.9313579196125532
Energy: 1.2350818068337752
Energy: 1.2127277299081853
Energy: 0.9325898145811945
Energy: 0.9265255090171489
Energy: 0.9273595592192445
Energy: 0.9264897865066369
Energy: 0.9318096885972265
Energy: 1.2195149117227566
Energy: 0.9272422194356934
Energy: 0.9276282919599907
Energy: 0.9280569712123599
Energy: 0.9276470719713533
Energy: 0.9297267938772195
Energy: 1.2213919985539692
Energy: 0.9299252638403761
Energy: 0.9283907816771719
Energy: 0.9297763536383329
Energy: 0.928710992757437
Energy: 1.1970906019137106
Energy: 1.2326596746785172
Energy: 0.9300904967989455
Energy: 0.9289853571015777
Energy: 0.9298770536184455
Energy: 0.928917840003036
Energy: 1.0939841157420165
Energy: 1.2195978327528216
Energy: 0.9265058570920748
Energy: 0.9261239016089052
Energy: 0.9259317374299315
Energy: 0.9274404676732356
Energy: 0.9263284338367279
Energy: 1.239943971033354
Energy: 0.9311669394781079
Energy: 0.9303896877122744
Energy: 0.9321885922435457
Energy: 0.9317777202734363
Energy: 0.9333046031186452
Energy: 1.2212054390136717
Energy: 1.2008231913220115
Energy: 1.2102447889895593
Energy: 1.0703815689358538
Energy: 0.9321056795000433
Energy: 1.1971859720088551
Energy: 1.2419246566290996
Energy: 0.9293946869696516
Energy: 0.9301588980135055
Energy: 0.9224504256632461
Energy: 0.9317437194940328
Energy: 0.9317849513353703
Energy: 1.2205945677744587
Energy: 1.2331822433676711
Energy: 1.1975052636272836
Energy: 0.9302231648033827
Energy: 1.1976351612985567
Energy: 1.2318806162288032
Energy: 1.2206600859181453
Energy: 1.2308759585667977
Energy: 1.2174459099853037
Energy: 1.2429358691730372
Energy: 1.229877311195336
Energy: 1.2173041901177053
Energy: 1.2406900671414107
Energy: 1.2297059006661915
Energy: 1.2296818215050445
Energy: 0.9227819933684807
Energy: 1.23065464002145
Energy: 1.218466920806054
Energy: 1.416333907686967
Energy: 1.2294232505643594
Energy: 1.217765755987783
Energy: 0.923973444384013
Energy: 1.2323117728882547
Energy: 0.9311356605250208
Energy: 1.2264223179324014
Energy: 1.1989347243177124
Energy: 1.232511100952424
Energy: 1.2591182924294422
Energy: 1.235530510569372
Energy: 1.0965184927536331
Energy: 1.2197648202729579
Energy: 0.9311948158536353
Energy: 0.9294466278839764
Energy: 1.2651773084084725
Energy: 0.9294845080403663
Energy: 0.9302893689287436
Energy: 1.070191995393904
Energy: 0.9322947798268694
Energy: 1.2260931769192303
Energy: 0.9334087183742101
Energy: 1.2008345647800764
Energy: 0.9281329522459653
Energy: 1.0693138506806699
Energy: 0.9309623027373897
Energy: 0.9318873439887998
Energy: 1.2348615496544948
Energy: 0.9326475468074615
Energy: 0.9307957875244288
Energy: 1.0745754859220977
Energy: 0.9262663964711934
Energy: 0.9264858595881983
Energy: 1.2417305179483211
Energy: 0.9267599704875494
Energy: 0.9259952232208072
Energy: 1.0732534885913334
Energy: 0.9287889549727092
Energy: 0.9301727101789985
Energy: 1.223314864718504
Energy: 0.9292640646876065
Energy: 0.9277891819440602
Energy: 0.9283288323370369
Energy: 0.9287697176869519
Energy: 0.9324896329380211
Energy: 1.223982184372887
Energy: 0.9296454989016779
Energy: 0.9283295733459499
Energy: 0.9275417121590732
Energy: 0.9301446960419291
Energy: 0.9270090694860281
Energy: 1.097636896549262
Energy: 0.9294666200494368
Energy: 0.9276798099357338
Energy: 0.9267078189974354
Energy: 0.9266861857878919
Energy: 0.9306794090199786
Energy: 1.2303071767543978
Energy: 0.9276219299425781
Energy: 0.9265906437915806
Energy: 0.9370361949082462
Energy: 0.9357572641810392
Energy: 1.2076255774859226
Energy: 1.197095489971154
Energy: 0.936289982686865
Energy: 0.9362497708226124
Energy: 1.0705153568903283
Energy: 0.9262014596807127
Energy: 0.9302024261691612
Energy: 1.2161966255691343
Energy: 0.9272100729181707
Energy: 0.9260383958418353
Energy: 1.0706082328041313
Energy: 0.9291926178893006
Energy: 0.928635004013031
Energy: 1.2614382606984365
Energy: 0.930584490717804
Energy: 0.927998763747944
Energy: 1.0771681888137916
Energy: 1.0978859698246803
Energy: 0.9341917256857438
Energy: 0.9307779236959928
Energy: 1.1985613145970115
Energy: 0.9320421948897879
Energy: 1.220273728921218
Energy: 1.1975091393924284
Energy: 1.0979644816085423
Energy: 1.1961715693938701
Energy: 0.9343102339894196
Energy: 0.9331599599152783
Energy: 1.2139628595918863
Energy: 0.932448514696511
Energy: 1.0972458540529282
Energy: 1.2595060862244891
Energy: 1.0943848950180357
Energy: 0.9301422105858984
Energy: 1.223002763885666
Energy: 0.9317229115102976
Energy: 1.2293435267828223
Energy: 1.2171511902883656
Energy: 1.2296523588260113
Energy: 1.0938681216743418
Energy: 1.2391908725959113
Energy: 1.241967926359851
Energy: 1.2178971630772997
Energy: 0.9291071504795034
Energy: 1.2296247932502533
Energy: 1.2316632972697448
Energy: 1.2123738987974075
Energy: 1.234234565743295
Energy: 1.230788711069883
Energy: 1.2431401209794628
Energy: 1.2307681504223322
Energy: 0.9336062102304548
Energy: 1.2432644947243536
Energy: 1.2291379571698022
Energy: 0.9307056898333691
Energy: 0.9315185442162034
Energy: 1.198593259503872
Energy: 1.2297566576395016
Energy: 1.2189421332908439
Energy: 1.0967742546015793
Energy: 0.9313209353960662
Energy: 0.9313294968028131
Energy: 1.0953013120195196
Energy: 1.23670674918831
Energy: 1.2210511855240538
Energy: 1.1974094949013971
Energy: 1.1966525522265383
Energy: 0.9317438907613126
Energy: 1.1970949851159474
Energy: 1.2236395921611942
Energy: 1.2194860289872305
Energy: 1.1987992043165796
Energy: 0.9338035191142571
Energy: 1.0745131279045161
Energy: 1.098313091945282
Energy: 1.2254359513109172
Energy: 1.221332535061734
Energy: 0.9312598119156603
Energy: 0.9296747408710972
Energy: 0.9302612037402184
Energy: 0.9295118834986174
Energy: 0.9291857331883151
Energy: 1.2387900408676282
Energy: 0.9282243315694867
Energy: 0.9264339784586179
Energy: 0.9264087470227226
Energy: 0.9278306375430141
Energy: 0.9288341566074133
Energy: 1.2141631266212796
Energy: 0.9316917247434203
Energy: 0.9295588201266696
Energy: 0.9383079776411601
Energy: 0.9311667241441018
Energy: 1.2235509102816984

minimum gb energy = 0.9224504256632461 eV
minimum distance =  2.29227884849347 Angstroms
sigma value = 43


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

Energy: 2.2008031041966185
Energy: 1.0109312798844525
Energy: 0.9999347710288109
Energy: 0.9860482678968824
Energy: 0.98688815775705
Energy: 0.9921803080362472
Energy: 1.3578370944089988
Energy: 0.9914940870377158
Energy: 0.9847313921115852
Energy: 0.9848085091545908
Energy: 0.9849020714664974
Energy: 1.310097180960594
Energy: 1.3658693581162118
Energy: 0.985223414066167
Energy: 0.9866903690310665
Energy: 0.9875150820223577
Energy: 0.9865463063696118
Energy: 0.9867702948866878
Energy: 1.3833805144031137
Energy: 0.9874780749904762
Energy: 0.9883311299416639
Energy: 0.9888925828491263
Energy: 0.9883511858832071
Energy: 1.3112796352909264
Energy: 1.3668500282640665
Energy: 0.9870613127390047
Energy: 0.9870544824630886
Energy: 0.9873973077298148
Energy: 0.9883555191712818
Energy: 1.3121392370331442
Energy: 1.3651701763468358
Energy: 0.9850590110569787
Energy: 0.9850977930569018
Energy: 0.9846465675773187
Energy: 0.9855918122859538
Energy: 1.3672275684473503
Energy: 1.3675341171906994
Energy: 1.309786825207514
Energy: 0.990372769938105
Energy: 0.9894433414892078
Energy: 0.9919778667559981
Energy: 0.9891775576128723
Energy: 1.4238517507349002
Energy: 0.9891452766438885
Energy: 1.2167878134975494
Energy: 1.1745504532427247
Energy: 1.3276782560453793
Energy: 1.3114259509519415
Energy: 1.3668315777087967
Energy: 0.9868653557010941
Energy: 0.9905433065899311
Energy: 0.9814822882738667
Energy: 0.9899509027311193
Energy: 0.9920564497429021
Energy: 1.3663277043255764
Energy: 1.3099332082757515
Energy: 0.9878939671237293
Energy: 0.9869524944389245
Energy: 1.310772081022675
Energy: 0.9888868497353357
Energy: 1.3660844113364672
Energy: 0.9893819779802979
Energy: 1.310189247373877
Energy: 1.198428683612501
Energy: 1.309835984720407
Energy: 0.9901711154219424
Energy: 1.366351581190179
Energy: 1.3099238619385114
Energy: 1.3133369906644914
Energy: 0.9793045011718523
Energy: 1.3100948839530795
Energy: 0.9916090201063481
Energy: 1.1749448351796647
Energy: 0.9879696556855065
Energy: 0.9794581702049263
Energy: 0.9786072749900717
Energy: 1.3114645335662345
Energy: 0.9904255062255726
Energy: 1.1745755616650082
Energy: 0.9897997036735655
Energy: 0.9868155113821627
Energy: 1.0032505614995306
Energy: 0.9917573298065645
Energy: 0.9871973352332583
Energy: 1.1732563675040542
Energy: 0.9849323255585644
Energy: 1.3238323920892996
Energy: 0.991315839718024
Energy: 0.9868224070799833
Energy: 0.9847502800545435
Energy: 1.0024722193268745
Energy: 0.9886993840429462
Energy: 0.9893012065305892
Energy: 0.9826002825095723
Energy: 0.988348521617306
Energy: 1.0007365775635702
Energy: 0.9842392732011727
Energy: 0.9848093930104769
Energy: 0.9892232550318849
Energy: 0.9794337002228678
Energy: 0.9856882564884643
Energy: 0.9848008716361093
Energy: 0.9849638295974578
Energy: 0.9856503679328641
Energy: 0.985147151115523
Energy: 1.3350313260759503
Energy: 0.9855406485643725
Energy: 0.9856237665845671
Energy: 0.987557466303223
Energy: 0.98737870181607
Energy: 0.9871203248762932
Energy: 0.9859294164360237
Energy: 0.9872621016219195
Energy: 0.9871810313024098
Energy: 1.174729739578129
Energy: 0.9884331599052103
Energy: 0.987603872947703
Energy: 1.3105939395737731
Energy: 0.9875147926600075
Energy: 0.9877163947746023
Energy: 1.1754215460839201
Energy: 0.9853235040141979
Energy: 0.985191578236961
Energy: 0.9855989024470705
Energy: 0.9855065805987749
Energy: 0.9852485495867921
Energy: 1.1725338035523125
Energy: 0.9904678237405108
Energy: 0.9910097291939649
Energy: 1.3120036601124327
Energy: 0.9894121361870383
Energy: 0.990254691805372
Energy: 1.1734381983074698
Energy: 0.9886989244134293
Energy: 1.32582160754618
Energy: 0.9850858416064794
Energy: 1.3256370625867433
Energy: 0.9889798390911231
Energy: 1.360225158781954
Energy: 0.9891366234449106
Energy: 0.9876642941377539
Energy: 1.199164227129872
Energy: 1.3105858551067513
Energy: 0.990560297295722
Energy: 1.3673682105407625
Energy: 1.3091243710639038
Energy: 1.3103123421038807
Energy: 1.174098566158764
Energy: 1.3142733308928807
Energy: 0.992368333234982
Energy: 1.3652245452981575
Energy: 1.3127172737524833
Energy: 0.9912330948950288
Energy: 0.990396430087431
Energy: 0.9880665720831365
Energy: 1.3111663310755288
Energy: 1.3605914471088247
Energy: 1.3099827986821
Energy: 0.9914965109255803
Energy: 0.9918552263754477
Energy: 1.3098709115570346
Energy: 1.3124881607626815
Energy: 1.3583728489277183
Energy: 0.9892210629601882
Energy: 0.9898393059794113
Energy: 1.1750493668712974
Energy: 0.987633766896754
Energy: 0.979384224110214
Energy: 1.3669591763343587
Energy: 0.9915300123734148
Energy: 0.9897971490800448
Energy: 0.9879054125623044
Energy: 0.9898547182939632
Energy: 0.9878020706939634
Energy: 1.3669192965282062
Energy: 0.9855230492276061
Energy: 0.9852781287403103
Energy: 0.9853018780758614
Energy: 0.9857472066156313
Energy: 0.9873069570695289
Energy: 1.3648567014462383
Energy: 0.9883314449192652
Energy: 0.9880556412209617
Energy: 1.002833579867579
Energy: 0.9899348349385422
Energy: 0.9795047462592374

minimum gb energy = 0.9786072749900717 eV
minimum distance =  2.30991647790549 Angstroms
sigma value = 57


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

Energy: 2.0556391037895003
Energy: 1.0846123057517294
Energy: 1.099771239605781
Energy: 1.0999757729333988
Energy: 1.1158787801359336
Energy: 1.084249687263463
Energy: 1.2068566880371077
Energy: 1.0974579368233472
Energy: 1.0983885685684212
Energy: 1.0979682523781775
Energy: 1.098456400257754
Energy: 1.3047334630221195
Energy: 1.3819067733602566
Energy: 1.0986366528176483
Energy: 1.1043868765316855
Energy: 1.105439158205779
Energy: 1.1040927512936696
Energy: 1.4842357840794835
Energy: 1.2229450307371688
Energy: 1.0994540978181815
Energy: 1.1001888693221453
Energy: 1.0998844911226162
Energy: 1.1000868339560634
Energy: 1.0691717574035224
Energy: 1.2229606343954063
Energy: 1.09867233133132
Energy: 1.098809032476793
Energy: 1.0570407826128565
Energy: 1.099154067030957
Energy: 1.0679950406582328
Energy: 1.381856972518259
Energy: 1.3012287518314483
Energy: 1.0972457317070143
Energy: 1.0974784205723478
Energy: 1.098462233272936
Energy: 1.407230847079162
Energy: 1.3806112313771597
Energy: 1.3035953954572497
Energy: 1.1000940229631115
Energy: 1.0582259447375628
Energy: 1.0995407768258332
Energy: 1.2904954782331675
Energy: 1.2151070675575255
Energy: 1.3030148261948777
Energy: 1.0596550560083922
Energy: 1.0569825532440915
Energy: 1.303531886301684
Energy: 1.072882561260954
Energy: 1.220214414714722
Energy: 1.4068725471431114
Energy: 1.06810221458191
Energy: 1.0673343866093683
Energy: 1.3030360147463649
Energy: 1.411121630857572
Energy: 1.2016681281824007
Energy: 1.0596414384971218
Energy: 1.264174444530434
Energy: 1.0832923859318535
Energy: 1.2907169681936554
Energy: 1.0564403828498397
Energy: 1.2017898105289873
Energy: 1.056949109458921
Energy: 1.4426145613458432
Energy: 1.0565173093523663
Energy: 1.0574125424018017
Energy: 1.0568192341929727
Energy: 1.2007651877187189
Energy: 1.0597908906593319
Energy: 1.425899682163586
Energy: 1.0671787782874467
Energy: 1.425673980662583
Energy: 1.0612704136768398
Energy: 1.183649473663711
Energy: 1.0649341173441085
Energy: 1.4588682865858946
Energy: 1.0561083020734108
Energy: 1.059475334525371
Energy: 1.0562316531248954
Energy: 1.2129021587552502
Energy: 1.0561496301069317
Energy: 1.4454999286218886
Energy: 1.0572412660447075
Energy: 1.0560486089511678
Energy: 1.0561842408943607
Energy: 1.2004743912781708
Energy: 1.0660457499715106
Energy: 1.440972415061053
Energy: 1.0562268363090561
Energy: 1.0698968248537397
Energy: 1.0660808934160912
Energy: 1.2051162879150026
Energy: 1.0671079494239575
Energy: 1.45552041624212
Energy: 1.0695764058811192
Energy: 1.05642766630601
Energy: 1.0569068417132443
Energy: 1.3839430057366795
Energy: 1.057912625717995
Energy: 1.069743402665078
Energy: 1.0698956594258882
Energy: 1.0690159571440383
Energy: 1.0574270475723584
Energy: 1.384167505166677
Energy: 1.05788261360761
Energy: 1.3966537536527952
Energy: 1.0906623065138497
Energy: 1.0563295619421547
Energy: 1.057674380781603
Energy: 1.3814676454926316
Energy: 1.0678652066600474
Energy: 1.3329088213129574
Energy: 1.332951117714983
Energy: 1.4665061343526142
Energy: 1.0738289647367925
Energy: 1.430350024342322
Energy: 1.3029719590721842
Energy: 1.33125949745521
Energy: 1.3332527459394246
Energy: 1.331887591411481
Energy: 1.3034149032929911
Energy: 1.2109434196308146
Energy: 1.4608945558799713
Energy: 1.336463196457453
Energy: 1.113724872905893
Energy: 1.4027137166807653
Energy: 1.0685134543350001
Energy: 1.6907107265012216
Energy: 1.4636563529422415
Energy: 1.0993865123233586
Energy: 1.100733811731615
Energy: 1.1015958057198565
Energy: 1.3018249329935379
Energy: 1.3839192108258758
Energy: 1.0967321209331768
Energy: 1.0993931138554573
Energy: 1.1023418261558242
Energy: 1.0999019541184787
Energy: 1.0664523210995531
Energy: 1.214116469332654
Energy: 1.0998532526561846
Energy: 1.1007521441563906
Energy: 1.0980673789320987
Energy: 1.1013361170567697
Energy: 1.3045193179628611

minimum gb energy = 1.0560486089511678 eV
minimum distance =  2.27432640459343 Angstroms
sigma value = 17


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

Energy: 2.388576068065274
Energy: 1.5996018993062988
Energy: 1.153372855936165
Energy: 1.139047007197963
Energy: 1.1830188498044456
Energy: 1.5991253593939592
Energy: 1.1341267238481052
Energy: 1.2572713280916308
Energy: 1.1405275878796228
Energy: 1.1419586619601816
Energy: 1.1402291643570264
Energy: 1.1450968143638576
Energy: 1.15483189077819
Energy: 1.4096619304232232
Energy: 1.1368753751228207
Energy: 1.13800520819517
Energy: 1.136743855149261
Energy: 1.184950360140152
Energy: 1.147734431093292
Energy: 1.142754017820229
Energy: 1.1458412075603766
Energy: 1.1415141349695581
Energy: 1.1454681998203686
Energy: 1.2567301093132959
Energy: 1.1475949224068565
Energy: 1.2582477991277214
Energy: 1.1440015790126083
Energy: 1.156729121018193
Energy: 1.1438430226848542
Energy: 1.2564581806404544
Energy: 1.1560507370117996
Energy: 1.2570996793797549
Energy: 1.4054733369429009
Energy: 1.1342527896835386
Energy: 1.4081004323047643
Energy: 1.1519519181073594
Energy: 1.156343717850468
Energy: 1.1434011133803146
Energy: 1.1450344716685652
Energy: 1.1545665833269732
Energy: 1.2572767373226128
Energy: 1.144205141833692
Energy: 1.1529600386966088
Energy: 1.406069990274952
Energy: 1.1838621005048562
Energy: 1.1546011315773281
Energy: 1.4076908794880525
Energy: 1.1405533523484441
Energy: 1.155515251930121
Energy: 1.1426966344248803
Energy: 1.132159231449621
Energy: 1.1340897975940858
Energy: 1.1428404998729702
Energy: 1.1545114919055324
Energy: 1.1446539896317538
Energy: 1.1425468503490381
Energy: 1.2582892416127898
Energy: 1.1357943483989055
Energy: 1.1430344762178497
Energy: 1.1426868738704115
Energy: 1.1388197038562962
Energy: 1.1379109188139667
Energy: 1.1427897464059442
Energy: 1.1584370835373332
Energy: 1.1373022262170949
Energy: 1.1378062729256342
Energy: 1.1414105538759662
Energy: 1.1437547286111172
Energy: 1.2587967559497093
Energy: 1.1335455429870827
Energy: 1.1427520806137348
Energy: 1.1438899846491744
Energy: 1.1548574807097314
Energy: 1.1461102726710193
Energy: 1.406029637128144
Energy: 1.1320794880312577
Energy: 1.14254956386388
Energy: 1.1542901455013246
Energy: 1.1324822595697919
Energy: 1.410278555299557
Energy: 1.2492274036185158
Energy: 1.1548157592390453
Energy: 1.4105965010284611
Energy: 1.1321361911908843
Energy: 1.156016269678115
Energy: 1.144362101875728
Energy: 1.1447732233503234
Energy: 1.1546802879297922
Energy: 1.2570059936307831
Energy: 1.1443816700614085
Energy: 1.156500467791304
Energy: 1.1527990537217283
Energy: 1.4083069804073138
Energy: 1.1375859285064427
Energy: 1.4065561347570337
Energy: 1.1567262008115096
Energy: 1.1317886483024742
Energy: 1.2566279366659985
Energy: 1.1438723651978953
Energy: 1.1554397260579734
Energy: 1.143343931945676
Energy: 1.1359112920349763

minimum gb energy = 1.1317886483024742 eV
minimum distance =  2.28719100496405 Angstroms
sigma value = 17


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

Energy: 1.3963344505469382
Energy: 1.1638016591877038
Energy: 1.1884308543162097
Energy: 1.1883758668707305
Energy: 1.1892963105889316
Energy: 1.1855595997578607
Energy: 1.246612414087928
Energy: 1.189616830785766
Energy: 1.1930839927661498
Energy: 1.1949489269635842
Energy: 1.1928899810428923
Energy: 1.237122948670579
Energy: 1.186845490253352
Energy: 1.3549704652218262
Energy: 1.1917669926901746
Energy: 1.1925348851682613
Energy: 1.1915117160374455
Energy: 1.1359139382220909
Energy: 1.849087574221368
Energy: 1.542194409844774
Energy: 1.1902993603502983
Energy: 1.1836330116264506
Energy: 1.1895027441414412
Energy: 1.3594533125139592
Energy: 1.1841506597111962
Energy: 1.356535293372184
Energy: 1.3595250448655494
Energy: 1.183976913499268
Energy: 1.357234990335887
Energy: 1.3609514446511028
Energy: 1.1870203869846139
Energy: 1.1893469865574273
Energy: 1.1321944177997127
Energy: 1.1428435306184548
Energy: 1.3595123919102345
Energy: 1.18812574483212
Energy: 1.1961786771357237
Energy: 1.1934175629479489
Energy: 1.3575148389507947
Energy: 1.1335845202990713
Energy: 1.1851625688013476
Energy: 1.1937894236076054
Energy: 1.192010166683337
Energy: 1.1912854910481114
Energy: 1.1888857236913994
Energy: 1.1835252429303798
Energy: 1.1910849435221422
Energy: 1.1911766913220811
Energy: 1.1926474482421885
Energy: 1.1962916058039337
Energy: 1.365843448398378
Energy: 1.3590784651956342
Energy: 1.1940958348547412
Energy: 1.1957843543693156
Energy: 1.4341605764020726
Energy: 1.19085349041529
Energy: 1.1893182915636256
Energy: 1.2752507263241262
Energy: 1.1893848209460214
Energy: 1.1907407285506233
Energy: 1.4579985066372632
Energy: 1.1885674569680527
Energy: 1.1399337599741912
Energy: 1.186194992367239
Energy: 1.1894052878695263
Energy: 1.1896579917186552
Energy: 1.436853993179657
Energy: 1.1864162008750474
Energy: 1.1351039950191124
Energy: 1.135531237919335
Energy: 1.367927191265161
Energy: 1.1941426134243542
Energy: 1.2735158760883505
Energy: 1.3664780720614171
Energy: 1.1337975136749778
Energy: 1.1411426042150226
Energy: 1.368019669868117
Energy: 1.188455062236773
Energy: 2.112378105621407
Energy: 1.1394694463858712
Energy: 1.1387302039979708
Energy: 1.1352377591953537
Energy: 1.1409494957177413
Energy: 1.543599943263001
Energy: 1.1914184586803622
Energy: 1.1373265781847623
Energy: 1.1364616109945167
Energy: 1.1388233142721766
Energy: 1.1374323124166243
Energy: 1.375159933930673
Energy: 1.268524427500343
Energy: 1.134120776940772
Energy: 1.1356397292829818
Energy: 1.1357955587245836
Energy: 1.1353371327212964
Energy: 1.159464653702501
Energy: 1.3850229111914765
Energy: 1.3679649114803603
Energy: 1.1401024215805742
Energy: 1.1381178853896778
Energy: 1.139948869173165
Energy: 1.3586671440876372
Energy: 1.2651099517255093
Energy: 1.3674996474761354
Energy: 1.1386806814555588
Energy: 1.1584239837659847
Energy: 1.1382319425446479
Energy: 1.3591091423056048
Energy: 1.2158358126078734
Energy: 1.2843819720368221
Energy: 1.3720497687143345
Energy: 1.1375643287887056
Energy: 1.3715660295487224
Energy: 1.182848317234151
Energy: 1.4315206007456784
Energy: 1.1905940757915157
Energy: 1.138182649362131
Energy: 1.1600071333057247
Energy: 1.3673172678490053
Energy: 1.1914930974184255
Energy: 1.488806936593151
Energy: 1.1886690476075104
Energy: 1.5505545542659727
Energy: 1.182894008668866
Energy: 1.1914737972423595
Energy: 1.1895635526181358
Energy: 1.227405220884199
Energy: 1.195203080638351
Energy: 1.1329419072226592
Energy: 1.5379328462273996
Energy: 1.1906408677316733
Energy: 1.1949884163016125
Energy: 1.1992341199024845
Energy: 1.1910635230909306
Energy: 1.189722286633706
Energy: 1.2211274635982463
Energy: 1.1917941731210857
Energy: 1.1913768652936698
Energy: 1.1900382866540598
Energy: 1.1899284893694153
Energy: 1.227415284998627
Energy: 1.1873276532313628
Energy: 1.1902709948107795
Energy: 1.1902602779868932
Energy: 1.1890474606810313
Energy: 1.1858631486935551
Energy: 1.3572190107023574
Energy: 1.1405392146944002
Energy: 1.3566158828976063
Energy: 1.1943553381380743
Energy: 1.182914979873047
Energy: 1.3588467687645895
Energy: 1.3550700691324196
Energy: 1.1362347417183332
Energy: 1.3582350196859272
Energy: 1.1845044113918246
Energy: 1.140232990754249
Energy: 1.358681467585285
Energy: 1.1919914633705975
Energy: 1.1829717598726415
Energy: 1.357958857124404
Energy: 1.1363808637503738
Energy: 1.1323509892728096
Energy: 1.2386762096302857
Energy: 1.1938012977974959
Energy: 1.1928983549716672
Energy: 1.1944332831258433
Energy: 1.3581983160186566
Energy: 1.1900458961118001
Energy: 1.188592971809127
Energy: 1.1900641386203166
Energy: 1.1897800293904637
Energy: 1.1898236672060207
Energy: 1.1371550971270437
Energy: 1.2669566629238573
Energy: 1.1895489657064384
Energy: 1.1921161339458801
Energy: 1.202150517438047
Energy: 1.1929402832435068
Energy: 1.366030173788387
Energy: 1.3849733872716812
Energy: 1.190418639390051
Energy: 1.1948682259626062
Energy: 1.227365270750362
Energy: 1.1951266702819112
Energy: 1.365815096257853
Energy: 1.1830221355365262
Energy: 1.189129482565671
Energy: 1.1889060603615635
Energy: 1.1903795267926431
Energy: 1.1887908542626098
Energy: 1.1379182974637578
Energy: 1.3969989712188862
Energy: 1.138990426804034
Energy: 1.1920516416853446
Energy: 1.1960342084671165
Energy: 1.191025636840108
Energy: 1.1383528757057222
Energy: 1.3804739173771534
Energy: 1.3728059287722534
Energy: 1.1907381056748811
Energy: 1.2702423025540637
Energy: 1.3709775659980772
Energy: 1.1324931559197402
Energy: 1.137346820238269
Energy: 1.139263944177782
Energy: 1.5418304978431177
Energy: 1.136902960584868
Energy: 1.3693345548451468
Energy: 1.1392903216751298
Energy: 1.1522129826387502
Energy: 1.1391425295145476
Energy: 1.3673528484483763
Energy: 1.1333024137909458
Energy: 1.1394135751320253
Energy: 1.1387284196064513
Energy: 1.1353849178880686
Energy: 1.135400252047654
Energy: 1.3724238086220555
Energy: 1.2689986425963042
Energy: 1.1355997141382566
Energy: 1.135741224894285
Energy: 1.139205201004821
Energy: 1.1379917691415016
Energy: 1.3667498608211988
Energy: 1.1995457576245334
Energy: 1.1388853847159295
Energy: 1.1377529955430412
Energy: 1.1350661913199422
Energy: 1.161235813803561
Energy: 1.3539391452615055
Energy: 1.3602475138173689
Energy: 1.1402762960085997
Energy: 1.1355734210771447
Energy: 1.6170391097758
Energy: 1.3663847347712332
Energy: 1.1348242601991116
Energy: 1.2639857776968793
Energy: 1.3667431338863203
Energy: 1.1360112709780108
Energy: 1.3937596237542977
Energy: 1.1347534003943711
Energy: 1.1871504171463871
Energy: 1.1837953680916442
Energy: 1.1885222082966869
Energy: 1.138588366882668
Energy: 1.1342034982635814
Energy: 1.4210470663918522
Energy: 1.1888326672192076
Energy: 1.1899370666997426
Energy: 1.1884210780169755
Energy: 1.1404877593439549
Energy: 1.4477659944950911
Energy: 1.1895568314385354
Energy: 1.1910503481226509
Energy: 1.1958944562374676
Energy: 1.1900404930275266
Energy: 1.1317998618324876

minimum gb energy = 1.1317998618324876 eV
minimum distance =  2.27847227286433 Angstroms
sigma value = 57


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

Energy: 2.0296807167449944
Energy: 1.1275292227345066
Energy: 1.1910686872227982
Energy: 1.3695254558278107
Energy: 1.19097006417383
Energy: 1.1275781985729938
Energy: 1.3102629677366822
Energy: 1.1886685189370625
Energy: 1.1877463862385653
Energy: 1.1935141715483357
Energy: 1.1878645459633177
Energy: 1.1886196964956344
Energy: 1.2177933094960727
Energy: 1.1879516413459847
Energy: 1.1860939844425689
Energy: 1.1886629670358908
Energy: 1.1864199166023264
Energy: 1.210978557810849
Energy: 1.5808476385720343
Energy: 1.403577658476498
Energy: 1.193830457979225
Energy: 1.1945238348900424
Energy: 1.1793072352682388
Energy: 1.4052400953392452
Energy: 1.1910173040055385
Energy: 1.4056606495346202
Energy: 1.39882975472103
Energy: 1.1064361074508704
Energy: 1.4011953307549245
Energy: 1.405852613903156
Energy: 1.1905460071837592
Energy: 1.1805248227860607
Energy: 1.103451363505997
Energy: 1.1072940490059817
Energy: 1.1867754252343894
Energy: 1.193683027616651
Energy: 1.1926948228749081
Energy: 1.189008350084272
Energy: 1.3986939460778676
Energy: 1.2098418154946606
Energy: 1.1760897350743171
Energy: 1.1893122427036886
Energy: 1.1875354162923222
Energy: 1.188189797742496
Energy: 1.1894415821477329
Energy: 1.1889733705708445
Energy: 1.1873472569767396
Energy: 1.1885826235848285
Energy: 1.1869234382122593
Energy: 1.1938914468322146
Energy: 1.4058637232979023
Energy: 1.1933771637647728
Energy: 1.1907774280141032
Energy: 1.1940841100736002
Energy: 1.2128374729593403
Energy: 1.1908449264111272
Energy: 1.1892142896931504
Energy: 1.210070444732025
Energy: 1.1890178153649846
Energy: 1.1910973523625303
Energy: 1.2662808325321733
Energy: 1.1855629552263434
Energy: 1.1799701594057725
Energy: 1.2200719170368146
Energy: 1.339049819041059
Energy: 1.1882977124952832
Energy: 1.210469465498789
Energy: 1.1784107993289201
Energy: 1.1902091346932342
Energy: 1.1965842184325561
Energy: 1.186790183714857
Energy: 1.1928507211488406
Energy: 1.2221734816166019
Energy: 1.1884429746664655
Energy: 1.1891306367890442
Energy: 1.192627852020813
Energy: 1.1864141861785924
Energy: 1.185474210607932
Energy: 1.878368885611951
Energy: 1.178129849410214
Energy: 1.2102722991479586
Energy: 1.2184076106055963
Energy: 1.1921134410348107
Energy: 1.102850040376967
Energy: 1.3117787026626648
Energy: 1.188554510699553
Energy: 1.1889437223846713
Energy: 1.197671744633664
Energy: 1.1891594933079495
Energy: 1.1791783048225497
Energy: 1.2188392157115264
Energy: 1.188153483575131
Energy: 1.1856127535353198
Energy: 1.186856238459233
Energy: 1.1856348179357354
Energy: 1.2116243181748743
Energy: 1.5795862677775663
Energy: 1.4071165256727711
Energy: 1.192522238052996
Energy: 1.1892821816731947
Energy: 1.180618608738146
Energy: 1.404803619197259
Energy: 1.2141042160958984
Energy: 1.4053589234643464
Energy: 1.3996883884220601
Energy: 1.2107197176526496
Energy: 1.4014869319083225
Energy: 1.405085570182787
Energy: 1.174694578316717
Energy: 1.1926575365669225
Energy: 1.103145364582006
Energy: 1.107614808099012
Energy: 1.1821980680664066
Energy: 1.1795599962751675
Energy: 1.1963346801771915
Energy: 1.1887498602473328
Energy: 1.398840415655352
Energy: 1.201707031568311
Energy: 1.1768955027361996
Energy: 1.1905315831162497
Energy: 1.1859339612343025
Energy: 1.1879646367232608
Energy: 1.1896463890284457
Energy: 1.188757633239157
Energy: 1.1867727793139637
Energy: 1.1877378511492953
Energy: 1.209953524025921
Energy: 1.1928000723796242
Energy: 1.4047351333294986
Energy: 1.4114025417676515
Energy: 1.192228334166903
Energy: 1.1930080573965052
Energy: 1.2116491717085602
Energy: 1.1904678336442753
Energy: 1.1921667723129807
Energy: 1.1868233939162776
Energy: 1.1887658261762093
Energy: 1.1907881935734261
Energy: 1.2657435873385583
Energy: 1.1859375077237513
Energy: 1.1783580700357983
Energy: 1.221454888603023
Energy: 1.1856718728019222
Energy: 1.1875536958449602
Energy: 1.2097382747697276
Energy: 1.1904594455052684
Energy: 1.1908012358761588
Energy: 1.1999047623748245
Energy: 1.1889593251872204
Energy: 1.1915801203877228
Energy: 1.2199603035457478
Energy: 1.1909328127836696
Energy: 1.1886127768060706
Energy: 1.19054658131922
Energy: 1.1860654877760315
Energy: 1.1812682256902118
Energy: 1.8777819327147196
Energy: 1.1917579003648822
Energy: 1.211992840190893
Energy: 1.2181725404252512
Energy: 1.191867816515
Energy: 1.1032131995851182

minimum gb energy = 1.102850040376967 eV
minimum distance =  2.30177948021209 Angstroms
sigma value = 43


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

Energy: 1.273410058251837
Energy: 1.223400208760464
Energy: 1.2273167398191072
Energy: 1.2300036069701596
Energy: 1.2271057478049603
Energy: 1.637409902250679
Energy: 1.2721953136144615
Energy: 1.2280616554831183
Energy: 1.2283770752808454
Energy: 1.2271013652404434
Energy: 1.226536327318156
Energy: 1.224448074031074
Energy: 1.292291961372234
Energy: 1.269601548358835
Energy: 1.2261466422421687
Energy: 1.2307415513851327
Energy: 1.22654189213644
Energy: 1.1621951797216081
Energy: 1.4401672877717207
Energy: 1.421059097963318
Energy: 1.2221562184484012
Energy: 1.2205964416093322
Energy: 1.2220445181459654
Energy: 1.1603515795896573
Energy: 1.5566354779686309
Energy: 1.1610063310442413
Energy: 1.2777967780301505
Energy: 1.2810777215560847
Energy: 1.279333604539945
Energy: 1.1614263041940813
Energy: 1.1598923301843853
Energy: 1.1605346813111832
Energy: 1.1612189763331768
Energy: 1.1623072182672542
Energy: 1.1606313394876744
Energy: 1.1623126557859644
Energy: 1.1694319314458277
Energy: 1.1611936271078969
Energy: 1.2748829883202406
Energy: 1.2284115615781181
Energy: 1.1596523394118332
Energy: 1.1607468550603117
Energy: 1.1653616599704284
Energy: 1.1601560280094114
Energy: 1.2686897702902464
Energy: 1.2270803804476764
Energy: 1.1613735632966873
Energy: 1.1599741534729746
Energy: 1.1587370248971982
Energy: 1.157447798207874
Energy: 1.1608995232548733
Energy: 1.157972167551449
Energy: 1.1605796489796245
Energy: 1.1598763439110304
Energy: 1.6768170056023417
Energy: 1.1622896610733657
Energy: 1.437649144137451
Energy: 1.3396582323568138
Energy: 1.2800620210793459
Energy: 1.1619364569618347
Energy: 1.2749726471396845
Energy: 1.4198297836995433
Energy: 1.220962331592231
Energy: 1.2194348680747435
Energy: 1.2674743280229508
Energy: 1.1581350622281341
Energy: 1.2604144322869262
Energy: 1.2740213820405344
Energy: 1.2271542807976423
Energy: 1.2335663756837578
Energy: 1.227347268318039
Energy: 1.1622274356253166
Energy: 1.1583424349152012
Energy: 1.2275453019893035
Energy: 1.2275196764299954
Energy: 1.233866246206035
Energy: 1.2275386444629168
Energy: 1.425085124966528
Energy: 1.5444879224569366
Energy: 1.224078363268812
Energy: 1.2212217522512645
Energy: 1.2214588167457179
Energy: 1.221653796150342
Energy: 1.2898383272148972
Energy: 1.22215863824394
Energy: 1.225294568531359
Energy: 1.2285100594185863
Energy: 1.2259180012736852
Energy: 1.2273882585476654
Energy: 1.2167205883482397
Energy: 1.269016510627028
Energy: 1.2234522753214425
Energy: 1.2266043964677331
Energy: 1.2290507255078027
Energy: 1.2264215902067748
Energy: 1.2210972438720968
Energy: 1.546823292510226
Energy: 1.2271510167240574
Energy: 1.2242631355282771
Energy: 1.2805228828801862
Energy: 1.3878028576418076
Energy: 1.2272466789426764
Energy: 1.5473636226406458
Energy: 1.2268392982218925
Energy: 1.2245731310741503
Energy: 1.2693609160933619
Energy: 1.2294246108297733
Energy: 1.228732424931262
Energy: 1.2284357583875993
Energy: 1.227426837263818
Energy: 1.2234656212758954
Energy: 1.6373035830256422
Energy: 1.22717659221972
Energy: 1.2276042185007485
Energy: 1.2361655702633545
Energy: 1.2283998524201132
Energy: 1.2233425836617349
Energy: 1.158660197497762
Energy: 1.2274037536202869
Energy: 1.2282625576400745
Energy: 1.22935295060384
Energy: 1.2261713906873004
Energy: 1.1634079851802481
Energy: 1.2927216414767588
Energy: 1.218204426472976
Energy: 1.2261863846599328
Energy: 1.2242219574316715
Energy: 1.219241895620478
Energy: 1.161242876523549
Energy: 1.160020652254224
Energy: 1.1624998130530764
Energy: 1.2208813982911886
Energy: 1.2909498443401937
Energy: 1.2795716661058927
Energy: 1.161397071206736
Energy: 1.2261616578016967
Energy: 1.1603469687267003
Energy: 1.4391988311354544
Energy: 1.7897798897025234
Energy: 1.160521386997219
Energy: 1.1591728734556728
Energy: 1.1598473364544915
Energy: 1.160222141477201
Energy: 1.1602536179537024
Energy: 1.226021562796394
Energy: 1.159960611811792
Energy: 1.1608798559749813
Energy: 1.1593386191215438
Energy: 1.1613309677065051
Energy: 1.2791107230745407
Energy: 1.2251150297509565
Energy: 1.1600161262037487
Energy: 1.1601322374300405
Energy: 1.1663436796093414
Energy: 1.160374376298792
Energy: 1.2923258072994224
Energy: 1.5444229940742789
Energy: 1.1583916099357487
Energy: 1.1572379163541149
Energy: 1.1586830170448237
Energy: 1.1609173566262532
Energy: 1.1558525618901248
Energy: 1.43371992058169
Energy: 1.27317977990062
Energy: 1.1622409754682732
Energy: 1.2278403609235962
Energy: 1.1611827474280398
Energy: 1.4378107232748372
Energy: 1.2195402190826767
Energy: 1.2262411177761956
Energy: 1.1622029119151183
Energy: 1.1650005387098736
Energy: 1.1624503958199717
Energy: 1.22109581650764
Energy: 1.232400914425643
Energy: 1.227172149125841
Energy: 1.163473922017345
Energy: 1.2268982401370252
Energy: 1.218976469837302
Energy: 1.2270125131191583
Energy: 1.2328019456324246
Energy: 1.2274526718494847
Energy: 1.224244680787181
Energy: 1.1605364519863952
Energy: 1.230539156090767
Energy: 1.2275182904617645
Energy: 1.2212233115331255
Energy: 1.2208853973268459
Energy: 1.1588591815822409
Energy: 1.1576852175608001
Energy: 1.2220469218285535
Energy: 1.2207079963949596
Energy: 1.5565919039864677
Energy: 1.2279697604834428
Energy: 1.2251402336148824
Energy: 1.2141244429120701
Energy: 1.2296519403716843
Energy: 1.2288046365050078
Energy: 1.5377521940227268
Energy: 1.2267675416555843
Energy: 1.2215267088546762
Energy: 1.2708402393156413
Energy: 1.385639261454457
Energy: 1.2272530818666347
Energy: 1.292840013647179
Energy: 1.2234744581034256
Energy: 1.227979286286771
Energy: 1.228055879664412
Energy: 1.226919217706797
Energy: 1.2293004358666426
Energy: 1.2721953931472638
Energy: 1.2243695768382303
Energy: 1.2266140169582278
Energy: 1.2263956607243551
Energy: 1.2262890535971205
Energy: 1.224747489607376

minimum gb energy = 1.1558525618901248 eV
minimum distance =  2.23899994017443 Angstroms
sigma value = 81


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

Energy: 1.177600937932451
Energy: 1.1779079162895592
Energy: 1.1809175327995236
Energy: 1.1827245655171486
Energy: 1.4999909827295028
Energy: 1.1775643063814512
Energy: 1.1779518890972696
Energy: 1.320367053115479
Energy: 1.1801915062904997
Energy: 1.1805267223169105
Energy: 1.1810283292298656
Energy: 1.3164314842737188
Energy: 1.3180056207968902
Energy: 1.316205442717385
Energy: 1.1804992156722711
Energy: 1.180573082759715
Energy: 1.180370797005971
Energy: 1.3166531014932934
Energy: 1.3165099437274557
Energy: 1.3163343539065415
Energy: 1.1807574177749582
Energy: 1.1807901642771463
Energy: 1.3168020267817535
Energy: 1.31649285334571
Energy: 1.3161933711246179
Energy: 1.3190562152800815
Energy: 1.1809271822252332
Energy: 1.177836598755757
Energy: 1.3183641826043129
Energy: 1.316597196765236
Energy: 1.181576455310294
Energy: 1.1802008126283854
Energy: 1.177760438660771
Energy: 1.180635319066539
Energy: 1.3161778843658514
Energy: 1.180801470439058
Energy: 1.18012868215918
Energy: 1.1806496052845932
Energy: 1.3161872841809574
Energy: 1.1808728827258945
Energy: 1.318762040727283
Energy: 1.1804467774254348
Energy: 1.1800835418677518
Energy: 1.1811832179018493
Energy: 1.3164592047175625
Energy: 1.316258075267343
Energy: 1.3165525760864272
Energy: 1.180727590984251
Energy: 1.1820586759084866
Energy: 1.181357707922097
Energy: 1.3166275335250202
Energy: 1.3167770285777167
Energy: 1.3164983367170147
Energy: 1.1814086579926593
Energy: 1.1777760893129592
Energy: 1.1799740826696679
Energy: 1.3164040160126245
Energy: 1.316239682801777
Energy: 1.3177329670778153
Energy: 1.1806855668664185

minimum gb energy = 1.1775643063814512 eV
minimum distance =  2.25167771233203 Angstroms
sigma value = 3


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

Energy: 2.38634568432662
Energy: 1.2138410397619788
Energy: 1.1476215255911975
Energy: 1.1480612148076583
Energy: 1.1442378282796954
Energy: 1.1584915103316542
Energy: 1.1290998766444222
Energy: 1.1466338431286787
Energy: 1.145884626183002
Energy: 1.3905154726898907
Energy: 1.1462863334527333
Energy: 1.1454073356538632
Energy: 1.3859620840577251
Energy: 1.2584442663765478
Energy: 1.1459001515948752
Energy: 1.3883938428537865
Energy: 1.1462149018453027
Energy: 1.3885016431777693
Energy: 1.387919958985448
Energy: 1.1457418021711296
Energy: 1.1458649528534202
Energy: 1.1457635042480847
Energy: 1.2590625463674618
Energy: 1.145552494980483
Energy: 1.3866355428659205
Energy: 1.1462079346416596
Energy: 1.1467957377431588
Energy: 1.229513697489242
Energy: 1.1462828127568248
Energy: 1.3862913776593633
Energy: 1.2050975804347783
Energy: 1.2090018002930891
Energy: 1.2552302957102572
Energy: 1.1436980653602495
Energy: 1.1437524841399092
Energy: 1.212576857596039
Energy: 1.5994179449594372
Energy: 1.146058485923055
Energy: 1.2259978530120466
Energy: 1.1431370482073273
Energy: 1.1472344519834294
Energy: 1.3866302212439117
Energy: 1.598760538521256
Energy: 1.1469424318415957
Energy: 1.145783695409169
Energy: 1.145445686037906
Energy: 1.1464176532280828
Energy: 1.145759738918866
Energy: 1.1439055377107006
Energy: 1.1457338395826449
Energy: 1.1445052924903303
Energy: 1.146202964043272
Energy: 1.144410726593118
Energy: 1.2266826292554196
Energy: 1.2315427976034807
Energy: 1.1453439217292323
Energy: 1.14534293566686
Energy: 1.144954581747696
Energy: 1.1465656353849454
Energy: 1.2649058794626373
Energy: 1.387454671789902
Energy: 1.257680345113223
Energy: 1.143849997616524
Energy: 1.1460000348288284
Energy: 1.1436086647397792
Energy: 1.4060104118678298
Energy: 1.204972620522526
Energy: 1.144671578675252
Energy: 1.1460754843693561
Energy: 1.1613968729219233
Energy: 1.145745236768985
Energy: 1.196658513882353
Energy: 1.1449390717647208
Energy: 1.1437237371385711
Energy: 1.1458401177417081
Energy: 1.1608673294862628
Energy: 1.1473102943151423
Energy: 1.1457211496163933
Energy: 1.1446636713085268
Energy: 1.144394718097037
Energy: 1.1450520593226357
Energy: 1.2049722199455897
Energy: 1.144687750996074
Energy: 1.1444838991225394
Energy: 1.1447363234132042
Energy: 1.1459187392693495
Energy: 1.1461533853651873
Energy: 1.389780103116695
Energy: 1.2340105946522486
Energy: 1.1454637092735933
Energy: 1.1439131562554248
Energy: 1.2257024493227493
Energy: 1.1459345720274718
Energy: 1.382821609399047
Energy: 1.146781346945652
Energy: 1.143796539040805
Energy: 1.1593390785082394
Energy: 1.1454302853625673
Energy: 1.1426393598201525
Energy: 1.2051263692458938
Energy: 1.3822876340582937
Energy: 1.127351324156591
Energy: 1.1595729143505442
Energy: 1.145001304681185
Energy: 1.386553483613797
Energy: 1.1478568335911212
Energy: 1.1458087196126066
Energy: 1.127156008687637
Energy: 1.1436855169822504
Energy: 1.254936258948712
Energy: 1.1451424367311693
Energy: 1.3884871259813283
Energy: 1.1452611206117527
Energy: 1.1442320503754555
Energy: 1.386243254873753
Energy: 1.1461795734466196
Energy: 1.1464142175888625
Energy: 1.3860063549046295
Energy: 1.261165013582983
Energy: 1.1458614407694159
Energy: 1.3852070256526368
Energy: 1.145902300734378
Energy: 1.2542059094218012
Energy: 1.1437154425005542
Energy: 1.1451170551656629
Energy: 1.386501521651686
Energy: 1.142931727258937
Energy: 1.1440702815211448
Energy: 1.142747692226361
Energy: 1.14134915221386
Energy: 1.1460546974197505
Energy: 1.1439444404953996
Energy: 1.387057264346947
Energy: 1.1484025104095614
Energy: 1.372115429886804
Energy: 1.2291408810048468
Energy: 1.2414634238555695
Energy: 1.3823037119509898
Energy: 1.5989040123088234
Energy: 1.2401452771462367
Energy: 1.1454353456042379
Energy: 1.143708239035887
Energy: 1.1459966025702444
Energy: 1.652831982146965
Energy: 1.3858770578251025
Energy: 1.2325700324651774
Energy: 1.1454427793813782
Energy: 1.1454661842035032
Energy: 1.145455904708931
Energy: 1.4560823201578654
Energy: 1.2090936347578043
Energy: 1.1477097553327835
Energy: 1.1450368943049385
Energy: 1.1451019121668262
Energy: 1.1455406164534219
Energy: 1.1465394028928568
Energy: 1.3868130251697248
Energy: 1.2595442475946725
Energy: 1.1438437077340449
Energy: 1.1431925738076698
Energy: 1.1436426892655778
Energy: 1.142911568086352
Energy: 1.2092563812524657
Energy: 1.1453355305263648
Energy: 1.1453574425788275
Energy: 1.1604622213667426
Energy: 1.2664890801564153
Energy: 1.1436560419587294
Energy: 1.1440557725720002
Energy: 1.1446442308964802
Energy: 1.160040039282758
Energy: 1.164307343881787
Energy: 1.1438641158782812
Energy: 1.1439996803117585
Energy: 1.1525395250539585
Energy: 1.145282586643701
Energy: 1.1469305813916613
Energy: 1.2112304958452904
Energy: 1.1461124692696116
Energy: 1.1451543047973436
Energy: 1.1447174660207202
Energy: 1.1452135379692738
Energy: 1.2330145763318474
Energy: 1.1501582256307947
Energy: 1.1457769303032959
Energy: 1.1453748104455141
Energy: 1.1436244714706163
Energy: 1.1441968454626408
Energy: 1.1458052335491336
Energy: 1.407314669823677
Energy: 1.23977794552716
Energy: 1.1437051054289475
Energy: 1.126663577886259
Energy: 1.2399249246070667
Energy: 1.382141468840393
Energy: 1.388072822112651
Energy: 1.145950155710904
Energy: 1.2474561109859097

minimum gb energy = 1.126663577886259 eV
minimum distance =  2.27433418048668 Angstroms
sigma value = 67


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

Energy: 1.6886492851781107
Energy: 1.108276763723041
Energy: 1.3102602711825102
Energy: 1.3159100414053528
Energy: 1.3099235220355785
Energy: 1.1097067766228395
Energy: 1.3168267464393908
Energy: 1.1578205721130341
Energy: 1.08831004298831
Energy: 1.3778327767762863
Energy: 1.0873787674445377
Energy: 1.0877021670267422
Energy: 1.3761112286153565
Energy: 1.161489798301464
Energy: 1.0882622219322386
Energy: 1.3807544293391234
Energy: 1.0870141527501767
Energy: 1.0873547292132766
Energy: 1.3810355947586288
Energy: 1.0874521587213717
Energy: 1.15564761017909
Energy: 1.0870307218127087
Energy: 1.1621922481180187
Energy: 1.091719448366821
Energy: 1.3787516196647607
Energy: 1.3782838664167154
Energy: 1.0879654468854685
Energy: 1.3187143223635842
Energy: 1.1572155680689278
Energy: 1.3766112868501892
Energy: 1.3166063883136536
Energy: 1.3107821240717696
Energy: 1.4273073306038784
Energy: 1.3781508304961758
Energy: 1.158714769163554
Energy: 1.3109315706150828
Energy: 1.657207251601187
Energy: 1.088287680879375
Energy: 1.156302802234816
Energy: 1.0907856206095488
Energy: 1.1709144282527895
Energy: 1.377199674656007
Energy: 1.6538748695857488
Energy: 1.0877405431410054
Energy: 1.0876798094246256
Energy: 1.0881630252894612
Energy: 1.0883947482913627
Energy: 1.086464793001426
Energy: 1.1212201923140437
Energy: 1.0866244083528005
Energy: 1.0859551176032507
Energy: 1.0867839080554582
Energy: 1.0859158960363036
Energy: 1.1194335262284274
Energy: 1.3995020468000483
Energy: 1.0890585139835796
Energy: 1.0878407864713129
Energy: 1.0872013628059938
Energy: 1.087951990284629
Energy: 1.1738425266291512
Energy: 1.3783793713941777
Energy: 1.087882784938028
Energy: 1.0888506334022967
Energy: 1.088133736907427
Energy: 1.1612522707120523
Energy: 1.0882228851621158
Energy: 1.1219212939766285
Energy: 1.3728941976293407
Energy: 1.0849270266999622
Energy: 1.091524179301041
Energy: 1.087995546445512
Energy: 1.1188138191832087
Energy: 1.0864550916953721
Energy: 1.087093483677333
Energy: 1.0849921832113127
Energy: 1.0901487854986953
Energy: 1.1504549908989927
Energy: 1.0868983666344272
Energy: 1.3794590750235736
Energy: 1.0876998013409986
Energy: 1.1588022922665429
Energy: 1.08913467184672
Energy: 1.0870018308934895
Energy: 1.0885211479204566
Energy: 1.3776244738017513
Energy: 1.1597753547683118
Energy: 1.0882320016882214
Energy: 1.376625887864171
Energy: 1.158356213275152
Energy: 1.0868177597316184
Energy: 1.3101717596398548
Energy: 1.1562366638816237
Energy: 1.0882616861863845
Energy: 1.3777142799039857
Energy: 1.0873898464337899
Energy: 1.0876706042478423
Energy: 1.3853205529044188
Energy: 1.087627392292001
Energy: 1.0881826014164762
Energy: 1.0930984624317066
Energy: 1.0874162274705723
Energy: 1.0862875398902354
Energy: 1.3965180242848307
Energy: 1.0889761774781732
Energy: 1.3776546931667697
Energy: 1.4023922205185801
Energy: 1.0880460922125934
Energy: 1.0888020333830533
Energy: 1.087629960635175
Energy: 1.0885357524360535
Energy: 1.7470704997367572
Energy: 1.6534666738120978
Energy: 1.1561126072468104
Energy: 1.0877139066964594
Energy: 1.0949297641542877
Energy: 1.087724026431931
Energy: 1.0881130643318015
Energy: 1.5937063175777368
Energy: 1.0884177131923725
Energy: 1.0876738964614252
Energy: 1.087155154853074
Energy: 1.0868118624688452
Energy: 1.0882585929675264
Energy: 1.3168900757134663
Energy: 1.0866178115992522
Energy: 1.086825079254189
Energy: 1.095404834180895
Energy: 1.088495000226456
Energy: 1.088126138939389
Energy: 1.3781427614080992
Energy: 1.1570281824108068
Energy: 1.0875717024146792
Energy: 1.317192033469608
Energy: 1.0891572895533805
Energy: 1.0872247891149633
Energy: 1.3991100632039368
Energy: 1.0876728247460712
Energy: 1.0869347264229963

minimum gb energy = 1.0849270266999622 eV
minimum distance =  2.27121158646108 Angstroms
sigma value = 33


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

Energy: 2.5179637834099893
Energy: 1.3990433930259825
Energy: 1.2732303667872078
Energy: 1.2752127162101003
Energy: 1.2730815560600168
Energy: 1.3972533313486593
Energy: 1.0323068207789132
Energy: 1.1084205977045494
Energy: 1.4474348058908746
Energy: 1.4492031517632538
Energy: 1.1068196542952742
Energy: 1.109907912152203
Energy: 1.1966353849069002
Energy: 1.0307788720962472
Energy: 1.0299585795763084
Energy: 1.3584183008116977
Energy: 1.1070062473501256
Energy: 1.0308615341079592
Energy: 1.2009806518520365
Energy: 1.0288869125723692
Energy: 1.1055161413895624
Energy: 1.4456914461256902
Energy: 1.0292493685788355
Energy: 1.219364167338693
Energy: 1.198863918915866
Energy: 1.196709447590733
Energy: 1.0312616305842848
Energy: 1.1968849631739626
Energy: 1.0309821084548296
Energy: 1.1963496525641104
Energy: 1.0320147036743277
Energy: 1.0312303304474064
Energy: 1.2785059955924438
Energy: 1.4435715241769773
Energy: 1.1074931982858847
Energy: 1.0313252267979032
Energy: 1.031172157352534
Energy: 1.0325156719462747
Energy: 1.214461572549256
Energy: 1.0284099439335608
Energy: 1.0288426817580134
Energy: 1.358207249890586
Energy: 1.5000673021319444
Energy: 1.1108535685277765
Energy: 1.1965571198519624
Energy: 1.1964964395452244
Energy: 1.1970049774591967
Energy: 1.0281043148439961
Energy: 1.4462497838319024
Energy: 1.02862372208697
Energy: 1.0320363248158029
Energy: 1.1980259274379637
Energy: 1.0296801952779917
Energy: 1.2760032020020677
Energy: 1.4492384470580646
Energy: 1.1089451125513665
Energy: 1.0302183430481455
Energy: 1.1978032730110832
Energy: 1.0301764264928506
Energy: 1.1073681482120377
Energy: 1.450643651277612
Energy: 1.0304856740071136
Energy: 1.0336683843306576
Energy: 1.1956369091020242
Energy: 1.1093689763381362
Energy: 1.0303010515578153
Energy: 1.4441386047440201
Energy: 1.4440033333546467
Energy: 1.0294965014450201
Energy: 1.031318304011654
Energy: 1.0295785217376523
Energy: 1.4442228897686378
Energy: 1.2384417862777821
Energy: 1.44399739025045
Energy: 1.0297845932983962
Energy: 1.0320159588906987
Energy: 1.0301254387229961
Energy: 1.0330519192185916
Energy: 1.5200770081936053
Energy: 1.0306605392995234
Energy: 1.0306042888091866
Energy: 1.029096531732699
Energy: 1.0302399004994442
Energy: 1.0287003564760953
Energy: 1.521371840865351
Energy: 1.030598292441703
Energy: 1.0304224999113203
Energy: 1.0363694367034593
Energy: 1.0299732838960403
Energy: 1.1051890867034027
Energy: 1.5040976394458698
Energy: 1.028212022182648
Energy: 1.028361201213591
Energy: 1.0292666382500426
Energy: 1.0278185181004675
Energy: 1.1086214113246302
Energy: 1.4448961983341735
Energy: 1.0294884670180535
Energy: 1.0313149098799201
Energy: 1.0309769768906643
Energy: 1.0316324808458868
Energy: 1.030260315458039
Energy: 1.0307658932716435
Energy: 1.1074229168576946
Energy: 1.0308556653962213
Energy: 1.0329891768284296
Energy: 1.0304568715221503
Energy: 1.447342635022806
Energy: 1.0302896856296913
Energy: 1.2652462249912315
Energy: 1.1987645335574595
Energy: 1.3563780696883205
Energy: 1.4455812190208628
Energy: 1.2643967428113931
Energy: 1.4481792473197426
Energy: 1.2674342515288086
Energy: 1.1059348266916313
Energy: 1.1939189077811072
Energy: 1.1079049745003589
Energy: 1.4470869354572737
Energy: 1.3582866011000347
Energy: 1.0307898916918585
Energy: 1.0304459518106157
Energy: 1.1966424661847515
Energy: 1.1089257264699988
Energy: 1.0298806061495605
Energy: 1.4455392476491318
Energy: 1.1099290623795632
Energy: 1.0290703948372506
Energy: 1.200699584639233
Energy: 1.0291709081624862
Energy: 1.029702495732204
Energy: 1.2632978762734892
Energy: 1.030797164383552
Energy: 1.1966997320406323
Energy: 1.198013644683528
Energy: 1.0301548616636564
Energy: 1.0285796895326793
Energy: 1.0280703597233125
Energy: 1.2152273920733225
Energy: 1.0309106002211108
Energy: 1.0315264410740768
Energy: 1.0310724687247024
Energy: 1.615145320066567
Energy: 1.0282059301410416
Energy: 1.0297264429601494
Energy: 1.1970221331251645
Energy: 1.036142400236933
Energy: 1.0309937484840412
Energy: 1.2156708111178274
Energy: 1.1971490181857949
Energy: 1.195219067940247
Energy: 1.0281468949195318
Energy: 1.5198052122518477
Energy: 1.0323071667036954
Energy: 1.1965967742093127
Energy: 1.1957481587535377
Energy: 1.0297046337421236
Energy: 1.0289497295838312
Energy: 1.2144779544244284
Energy: 1.0297078237630652
Energy: 1.031674231608658
Energy: 1.1968603511892646
Energy: 1.0299934365214312
Energy: 1.107209861124997
Energy: 1.448960909139678
Energy: 1.1085071608439316
Energy: 1.0314956444042933
Energy: 1.197161821362377
Energy: 1.105576349483095
Energy: 1.0302497061093783
Energy: 1.4472161542431636
Energy: 1.030934048764036
Energy: 1.0305650618826108
Energy: 1.0313444155497298
Energy: 1.0296762166997793
Energy: 1.4441012909215207
Energy: 1.4449819304300358
Energy: 1.4731669191803474
Energy: 1.0281395750704145
Energy: 1.0348520385958742
Energy: 1.0298648467514968
Energy: 1.033461078977777
Energy: 1.2395781202798974
Energy: 1.4439852329335243
Energy: 1.1935418438723748
Energy: 1.0292244637110854
Energy: 1.0307173247160617
Energy: 1.030589236989842
Energy: 1.5210546339138498
Energy: 1.1063627106008926
Energy: 1.0304846335640996
Energy: 1.0355032097956711
Energy: 1.030407799504816
Energy: 1.1060455476216682
Energy: 1.521180854723488
Energy: 1.028249362324437
Energy: 1.0307723141224412
Energy: 1.0276922875474452
Energy: 1.0278540282457482
Energy: 1.0289502703539615
Energy: 1.5121595242178723
Energy: 1.028173950917943
Energy: 1.0280756044315713
Energy: 1.0303072323899278
Energy: 1.0310494517188218
Energy: 1.106404895667406
Energy: 1.2713849728029836
Energy: 1.0320648632741318
Energy: 1.03098048597436
Energy: 1.0319064150652564
Energy: 1.0307535063316335
Energy: 1.2687707442512763
Energy: 1.2665164108879512
Energy: 1.1071117696381614
Energy: 1.0310500345511329
Energy: 1.0326159538507558
Energy: 1.0296094275321892
Energy: 1.0318975238406625
Energy: 1.0315116294260127
Energy: 1.2659289306269874
Energy: 1.3580916843073327

minimum gb energy = 1.0276922875474452 eV
minimum distance =  2.20480204284121 Angstroms
sigma value = 41


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

Energy: 1.901302365443205
Energy: 0.8419192496543282
Energy: 1.162003953023446
Energy: 1.1654065239608327
Energy: 1.1616322696837333
Energy: 1.8462330150304984
Energy: 1.4720944109192167
Energy: 0.9082121643764407
Energy: 0.9045372523602099
Energy: 1.1646078926161192
Energy: 0.9071699703536321
Energy: 0.9053172262431536
Energy: 1.1643162253895583
Energy: 0.9087916956092184
Energy: 0.908898295755405
Energy: 0.8455847959685133
Energy: 0.9079138952043714
Energy: 0.9050081547521115
Energy: 1.165857773593024
Energy: 0.9099625773727158
Energy: 0.904299737667516
Energy: 1.167644223085671
Energy: 0.907959058631029
Energy: 1.3585834412115598
Energy: 1.1650016775127907
Energy: 1.1670433756945588
Energy: 0.9089237901459767
Energy: 1.1654345495946974
Energy: 0.9069217045056583
Energy: 1.1659684404987705
Energy: 1.1647367326983853
Energy: 1.160804317968322
Energy: 1.1629072206687305
Energy: 1.1555037465883549
Energy: 1.1617845069575048
Energy: 1.1626448872151116
Energy: 1.4726365130587074
Energy: 1.1667244351886008
Energy: 0.9044715228617008
Energy: 1.1690591560737753
Energy: 0.9061079106936255
Energy: 1.2233025785619824
Energy: 1.4743201557764272
Energy: 0.9082987628597222
Energy: 1.1647624222946997
Energy: 1.1680692088175817
Energy: 0.9074965335703098
Energy: 1.4736210854245988
Energy: 1.1683406646194878
Energy: 0.9087575686268924
Energy: 0.9045360094869325
Energy: 0.845468636343293
Energy: 0.9076114362243604
Energy: 0.9044179370591283
Energy: 1.1670378398006953
Energy: 0.9085315112994828
Energy: 0.9046048287729237
Energy: 1.1666459725613727
Energy: 0.9078685456797103
Energy: 0.9044733109310977
Energy: 1.1642383293790253
Energy: 0.9041923591809568
Energy: 0.9094943054379805
Energy: 1.1671947486704746
Energy: 0.9090842064794095
Energy: 1.166534343043647
Energy: 1.1685712389457978
Energy: 1.1639050708304077
Energy: 0.909404966243306
Energy: 1.1548882488860064
Energy: 0.9065337707577785
Energy: 1.163819328972249
Energy: 1.1690406021641402
Energy: 1.164321382253911
Energy: 0.90941584450607
Energy: 1.1619917331879515
Energy: 0.9069224082101914
Energy: 1.1608064361736052
Energy: 1.475849886250308
Energy: 0.9042342685446549
Energy: 1.1621540534725157
Energy: 1.1664991768099497
Energy: 0.9088677233495636
Energy: 1.4742556998940288

minimum gb energy = 0.8419192496543282 eV
minimum distance =  2.34632507707098 Angstroms
sigma value = 11


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

Energy: 1.2254779600078545
Energy: 1.1301667430302265
Energy: 1.1384807574504907
Energy: 1.2868697286343371
Energy: 1.1383477505589743
Energy: 1.1390051706863384
Energy: 1.1253426561905004
Energy: 1.1375766519652766
Energy: 1.1287686312572245
Energy: 1.1305128004773128
Energy: 1.207532010721888
Energy: 1.154036983358537
Energy: 1.1370558706927634
Energy: 1.1371264256947313
Energy: 1.2067999356159718
Energy: 1.127248221940695
Energy: 1.2074243782047525
Energy: 1.1370793798167858
Energy: 1.1380086596539691
Energy: 1.1380973795150409
Energy: 1.2082211722182445
Energy: 1.1320188662259916
Energy: 1.1388018481248092
Energy: 1.1378000169673161
Energy: 1.137968254657327
Energy: 1.1374210515234073
Energy: 1.207523241603395
Energy: 1.1305685043676665
Energy: 1.137946663812901
Energy: 1.137615719064922
Energy: 1.1362026302701895
Energy: 1.1377550727726338
Energy: 1.206178073324688
Energy: 1.1296400886275713
Energy: 1.206474314567164
Energy: 1.1365527936837019
Energy: 1.13483034524053
Energy: 1.1387859253208241
Energy: 1.1288771313984807
Energy: 1.1294339106427824
Energy: 1.1286617767104565
Energy: 1.2031392751476426
Energy: 1.1337420284700117
Energy: 1.1375171371309813
Energy: 1.1377875966650113
Energy: 1.136969949882956
Energy: 1.1378794021875573
Energy: 1.125161956355287
Energy: 1.1387177889093074
Energy: 1.1370374728198815
Energy: 1.2067961169738417
Energy: 1.1260359631539656
Energy: 1.1374974134966858
Energy: 1.1370434308347819
Energy: 1.1372389036600057
Energy: 1.1376647852551744
Energy: 1.206477169463753
Energy: 1.126491838540606
Energy: 1.1377318921186539
Energy: 1.1376936558767783
Energy: 1.1379128739386661
Energy: 1.1376159467437585
Energy: 1.2184331644624626
Energy: 1.1392192486609822
Energy: 1.2199520383174645
Energy: 1.1381713664118536
Energy: 1.1388260308241152
Energy: 1.2063071726769492
Energy: 1.1376514070070523
Energy: 1.137523781269418
Energy: 1.2061113048371839
Energy: 1.1393724135615564
Energy: 1.1410992652691603
Energy: 1.3437567070047718
Energy: 1.1367379095379253
Energy: 1.1381914263315012
Energy: 1.267303610446784
Energy: 1.1370413346831945
Energy: 1.1254675571117994
Energy: 1.1377630672117394
Energy: 1.1377993973251834
Energy: 1.1375599996610484
Energy: 1.1379960104751754
Energy: 1.20746561901443
Energy: 1.1382112531888577
Energy: 1.2062576533797051
Energy: 1.1376065789029692
Energy: 1.137694286734084
Energy: 1.1376357522412113
Energy: 1.1292554558357966
Energy: 1.1371675493268503
Energy: 1.137973019779404
Energy: 1.131345073600183
Energy: 1.1236077668298265
Energy: 1.1382198705638424
Energy: 1.138970465112763
Energy: 1.1300073078659705
Energy: 1.2082563832414859
Energy: 1.1376390773749785
Energy: 1.1254708679301777
Energy: 1.137573512740238
Energy: 1.1289124608609649
Energy: 1.1274297551885837
Energy: 1.3885832406633323
Energy: 1.1370726066552435
Energy: 1.1369415289272904
Energy: 1.1371942210477404
Energy: 1.127855025226829
Energy: 1.131240881527487
Energy: 1.1382716902410248
Energy: 1.1387792117933622
Energy: 1.1647847886064155
Energy: 1.1383345211695806
Energy: 1.1286820873386016
Energy: 1.1303698452947144
Energy: 1.1377157381142715
Energy: 1.137620285296336
Energy: 1.1379871252367921
Energy: 1.1377633459554648
Energy: 1.2068853616273783
Energy: 1.1297458127381128
Energy: 1.352264278403871
Energy: 1.1368019680332633
Energy: 1.1366513408970431
Energy: 1.1388842846711358
Energy: 1.2051890523687174
Energy: 1.1295013283492987
Energy: 1.1291731908850777
Energy: 1.1374668891999207
Energy: 1.1339659367643968
Energy: 1.137515481770523
Energy: 1.1287974119350186
Energy: 1.1368481984955834
Energy: 1.1377106930490066
Energy: 1.2162305490066079
Energy: 1.1262016714699494
Energy: 1.1281751771043693
Energy: 1.140684633965786
Energy: 1.126072044581821
Energy: 1.2078264884612773
Energy: 1.1366295304726983
Energy: 1.1402042416192484
Energy: 1.1375123992335
Energy: 1.2022424462259305
Energy: 1.126464281918081
Energy: 1.1380246423966955
Energy: 1.137801290541246
Energy: 1.1395010942886272
Energy: 1.137814235798904
Energy: 1.202655283153808
Energy: 1.1393184530339842
Energy: 1.2217214684874527
Energy: 1.1380504960541484
Energy: 1.1395501641633077
Energy: 1.1392040022640124
Energy: 1.1386187738613944
Energy: 1.137308825690246
Energy: 1.1375446246179035
Energy: 1.1385327264621674
Energy: 1.1399457650777012
Energy: 1.2095113845920338
Energy: 1.138092824098986
Energy: 1.2680658470705368
Energy: 1.1386176132599992
Energy: 1.2186032319933187
Energy: 1.1407208622505347
Energy: 1.1389085806284354
Energy: 1.1396036690925568
Energy: 1.1401535723392546
Energy: 1.1379381810439149
Energy: 1.2083912224414013
Energy: 1.1254836984572358
Energy: 1.1378632981940355
Energy: 1.1376722935629904
Energy: 1.1394050659079507
Energy: 1.13733799482259
Energy: 1.207135300582056
Energy: 1.1375636469308084
Energy: 1.206847839074888
Energy: 1.1372743855064407
Energy: 1.1245286862101496
Energy: 1.1382160425958519
Energy: 1.1376803249587735
Energy: 1.137200114696574
Energy: 1.1377723375953654
Energy: 1.1282713404775655

minimum gb energy = 1.1236077668298265 eV
minimum distance =  2.25537692742727 Angstroms
sigma value = 57


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

Energy: 2.3686000714703437
Energy: 1.245685003883709
Energy: 1.2762426760453778
Energy: 1.2753775514564285
Energy: 1.2760037851817592
Energy: 1.245383794821674
Energy: 1.1907168413126736
Energy: 1.2626681709660743
Energy: 1.262643661762072
Energy: 1.2067746337573706
Energy: 1.2649734499432943
Energy: 1.2073093316396404
Energy: 1.2067397536001347
Energy: 1.2081693379968197
Energy: 1.2623249671788088
Energy: 1.1906807082979767
Energy: 1.2653201946974886
Energy: 1.2081133601958243
Energy: 1.2074492623559028
Energy: 1.208077512804873
Energy: 1.2632227368191613
Energy: 1.2068747970148064
Energy: 1.2080104629797037
Energy: 1.2085655538854574
Energy: 1.208428525689356
Energy: 1.207978958868434
Energy: 1.262310786170199
Energy: 1.2067980408243462
Energy: 1.2630459576099078
Energy: 1.20852731374378
Energy: 1.2065833297802158
Energy: 1.2632346113677648
Energy: 1.2628982666581223
Energy: 1.2068894528907634
Energy: 1.2616650587671907
Energy: 1.2087414791834268
Energy: 1.2707604168178068
Energy: 1.2634993688136436
Energy: 1.207511304209275
Energy: 1.2782916892184224
Energy: 1.207582925450348
Energy: 1.2623909822876773
Energy: 1.203144160496416
Energy: 1.262297906625089
Energy: 1.208078104947757
Energy: 1.2753185836935483
Energy: 1.2077985245052725
Energy: 1.2625328224146013
Energy: 1.2067953569875296
Energy: 1.207058311917407
Energy: 1.1915183083645617
Energy: 1.1912901675420928
Energy: 1.2623924358067864
Energy: 1.2089998227480643
Energy: 1.2782701672785237
Energy: 1.2072250074139526
Energy: 1.1914341116667195
Energy: 1.1909100667925465
Energy: 1.2623507145741522
Energy: 1.2075465018249627
Energy: 1.1903555851282235
Energy: 1.262550443016537
Energy: 1.2075206824811375
Energy: 1.206811327252755
Energy: 1.2638088865698363
Energy: 1.2625875653749459
Energy: 1.1902307963192853
Energy: 1.2639993421891937
Energy: 1.207979402309657
Energy: 1.2088765050794201
Energy: 1.2075323885008042
Energy: 1.2621618119116933
Energy: 1.2087870068961502
Energy: 1.2075117787021352
Energy: 1.2083705158782325
Energy: 1.208951159860863
Energy: 1.2077954126455475
Energy: 1.2074737161368736
Energy: 1.2067366044905579
Energy: 1.2626312549335623
Energy: 1.207785374930647
Energy: 1.2071365680838975
Energy: 1.206902313771004
Energy: 1.2632421889503425
Energy: 1.2067979600009324
Energy: 1.262517772082834
Energy: 1.2628349189013035
Energy: 1.2067595155669024
Energy: 1.2628532047554566
Energy: 1.2087119073221317
Energy: 1.2753616008101716
Energy: 1.2758487597558497
Energy: 1.209040159148968
Energy: 1.203567521267544
Energy: 1.2073035062460722
Energy: 1.2761240947771615
Energy: 1.1902185098076326
Energy: 1.2625485728095691
Energy: 1.2625338352912203
Energy: 1.2062669182022365
Energy: 1.2647432238286402
Energy: 1.2086104859173998

minimum gb energy = 1.1902185098076326 eV
minimum distance =  2.26884178683096 Angstroms
sigma value = 9


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

Energy: 2.549337373189269
Energy: 1.317682615392687
Energy: 1.314344485776672
Energy: 1.3144802621592906
Energy: 1.3311411467655159
Energy: 1.317471430296862
Energy: 1.3294009938892144
Energy: 1.4525911376575384
Energy: 1.3063359126659644
Energy: 1.3302593389536121
Energy: 1.351164036034766
Energy: 1.3232148332005835
Energy: 1.2833394979564503
Energy: 1.2994298372348292
Energy: 1.5580500169575775
Energy: 1.2567053888548467
Energy: 1.4522531601613065
Energy: 1.2824916347875737
Energy: 1.2968758767099449
Energy: 1.2988722195435412
Energy: 1.4463546217914955
Energy: 1.306526688203263
Energy: 1.2822758859591694
Energy: 1.298239155289526
Energy: 1.2826664708217455
Energy: 1.3619477540437728
Energy: 1.364349006225882
Energy: 1.3005288578306011
Energy: 1.363090058294025
Energy: 1.4454456882951667
Energy: 1.2895564035079679
Energy: 1.3635661041316547
Energy: 1.2824001972502508
Energy: 1.297887112838144
Energy: 1.4485666764680496
Energy: 1.2884764553812713
Energy: 1.3305659452202099
Energy: 1.2980403559302767
Energy: 1.298738036929658
Energy: 1.2989983703620023
Energy: 1.2992703453928414
Energy: 1.3505553859872317
Energy: 1.3308929646319059
Energy: 1.335858984620929
Energy: 1.284472316920526
Energy: 1.2815224977684194
Energy: 1.4372344221121947
Energy: 1.3361407337478755
Energy: 1.329549507879836
Energy: 1.330715651691835
Energy: 1.3364768963644125
Energy: 1.327937663821929
Energy: 1.4519119918122207
Energy: 1.3305421066528427
Energy: 1.312576633437311
Energy: 1.288656209732034
Energy: 1.3374993441058718
Energy: 1.3278178307032322
Energy: 1.4518426624965273
Energy: 1.3133799740859897
Energy: 1.3567983628505798
Energy: 1.4516948288128415
Energy: 1.284278291999955
Energy: 1.3127605334744372
Energy: 1.2830865784705938
Energy: 1.2840991320927053
Energy: 1.356780461699835
Energy: 1.3361873709674759
Energy: 1.3068685299140155
Energy: 1.3322509440600672
Energy: 1.306492744651671
Energy: 1.3077206285295224
Energy: 1.2810450682313796
Energy: 1.2843639763884431
Energy: 1.3366115790739115
Energy: 1.2579955420617754
Energy: 1.4519365016142427
Energy: 1.2839062300387367
Energy: 1.3003751707178823
Energy: 1.3001081788590818
Energy: 1.29873292922857
Energy: 1.2831913503744523
Energy: 1.2986928801070536
Energy: 1.2987110995728435
Energy: 1.2810577704152375
Energy: 1.448707213195507
Energy: 1.3644469363507739
Energy: 1.2992530945406535
Energy: 1.3646126845213349
Energy: 1.2852072704780408
Energy: 1.2976219513859588
Energy: 1.3632991455573225
Energy: 1.457916955395957
Energy: 1.4471860119774154
Energy: 1.46148822546178
Energy: 1.2981916225577617
Energy: 1.3056621198961447
Energy: 1.2827878605522582
Energy: 1.2991184033658134
Energy: 1.2991158576841677
Energy: 1.2993984862167722
Energy: 1.283298063596107
Energy: 1.3214768890340463
Energy: 1.4520602042449515
Energy: 1.2840777156503995
Energy: 1.2816547984297713
Energy: 1.2832297888783433
Energy: 1.4526352647771175
Energy: 1.330298051597243
Energy: 1.2936789607157335
Energy: 1.2975998330452563
Energy: 1.2821719162550642
Energy: 1.350937077204245
Energy: 1.3073182030122583
Energy: 1.3131130483960227
Energy: 1.3145115364374091
Energy: 1.294915154621969
Energy: 1.3194199511679852
Energy: 1.2826175129052704
Energy: 1.3148729801063117
Energy: 1.3565422630496955
Energy: 1.3375393102195783
Energy: 1.3112583828986804
Energy: 1.3126219010061824
Energy: 1.4526707031864896
Energy: 1.294215975739202

minimum gb energy = 1.2567053888548467 eV
minimum distance =  2.26345650943589 Angstroms
sigma value = 27


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

Energy: 1.378068224354458
Energy: 1.305406516334085
Energy: 1.3456515873427022
Energy: 1.3457738570236721
Energy: 1.3457462153397033
Energy: 1.3060791444182243
Energy: 1.3008981732695895
Energy: 1.3001396616206056
Energy: 1.3474143559928766
Energy: 1.3561601521928592
Energy: 1.3735913125637444
Energy: 1.31356069201058
Energy: 1.301286449682229
Energy: 1.3013528923063253
Energy: 1.2922305660278197
Energy: 1.3522693818958986
Energy: 1.2998251311960003
Energy: 1.30158311127477
Energy: 1.3100063225035912
Energy: 1.3021610113883837
Energy: 1.3374487527214
Energy: 1.3171507540289313
Energy: 1.4288990281538172
Energy: 1.301672754879243
Energy: 1.2913783439945294
Energy: 1.4149413836543046
Energy: 1.3180399340578628
Energy: 1.3353708814025846
Energy: 1.4168087348331917
Energy: 1.5563573198873817
Energy: 1.3042965891231928
Energy: 1.3029723965632525
Energy: 1.3180936413006716
Energy: 1.3360100070760994
Energy: 1.4014981265902748
Energy: 1.3030504725102992
Energy: 1.2811270265083294
Energy: 1.3887817537235754
Energy: 1.391321065785795
Energy: 1.3187544428370401
Energy: 1.39034930107745
Energy: 1.2906160900613997
Energy: 1.2807156511307554
Energy: 1.2815841599914266
Energy: 1.3177971060583233
Energy: 1.332964816756902
Energy: 1.4937483011578534
Energy: 1.2813595716653556
Energy: 1.3004008181153577
Energy: 1.2916585892980204
Energy: 1.3403491629827824
Energy: 1.3498425444413777
Energy: 1.3395744551061486
Energy: 1.2808269277884912
Energy: 1.2803584445193186
Energy: 1.2645097170814743
Energy: 1.3365525313208226
Energy: 1.349621947530897
Energy: 1.292118523824232
Energy: 1.2648643471851062
Energy: 1.327754471552871
Energy: 1.2667714184624135
Energy: 1.3500885637468762
Energy: 1.3516516744020362
Energy: 1.3501426599594228
Energy: 1.2920474671562079
Energy: 1.341853694254209
Energy: 1.3662157273202713
Energy: 1.3538749778195038
Energy: 1.351180060023025
Energy: 1.2654882934323526
Energy: 1.2664531648636037
Energy: 1.2810027397780572
Energy: 1.2841223611530206
Energy: 1.2656927286812298
Energy: 1.2640380843499193
Energy: 1.2650481137208498
Energy: 1.2831871200714111
Energy: 1.280534815326452
Energy: 1.265029888923827
Energy: 1.264657810891408
Energy: 1.353232260638994
Energy: 1.2667394677241761
Energy: 1.264884211805057
Energy: 1.278279960438075
Energy: 1.628055486071077
Energy: 1.310019369358288
Energy: 1.3085533878339577
Energy: 1.3097220813272887
Energy: 1.279757988833316
Energy: 1.3127459268551998
Energy: 1.3606488992922279
Energy: 1.3066549688017188
Energy: 1.3057500818002308
Energy: 1.305203052959104
Energy: 1.2666055732230186
Energy: 1.2973921964545623
Energy: 1.3880766111464982
Energy: 1.425987875460686
Energy: 1.291610870434976
Energy: 1.3847235075251108
Energy: 1.281439572554466
Energy: 1.280825938437617
Energy: 1.4233282521069506
Energy: 1.2660359757990718
Energy: 1.3054729401354332
Energy: 1.4227752087880738
Energy: 1.422170635201023
Energy: 1.281448688969613
Energy: 1.408858669365947
Energy: 1.3109758275472208
Energy: 1.3070024056752751
Energy: 1.4159112833522403
Energy: 1.2810913082813615
Energy: 1.280886319484875
Energy: 1.317835110184404
Energy: 1.5600609392542304
Energy: 1.3071284434019086
Energy: 1.5599135659677306
Energy: 1.2809333293333454
Energy: 1.3642099598960014
Energy: 1.4435538019571692
Energy: 1.3126132004658888
Energy: 1.3117855246145114
Energy: 1.3076293521999771
Energy: 1.3319979635065666
Energy: 1.29096583945747
Energy: 1.4979299030246749
Energy: 1.3066526097495594
Energy: 1.3069550579341274
Energy: 1.3067082855990284
Energy: 1.3777729372976577
Energy: 1.3475549998204126
Energy: 1.330757915463906
Energy: 1.306588944521566
Energy: 1.3415512354591246
Energy: 1.302876768357211
Energy: 1.348651452086453
Energy: 1.3473347758019674
Energy: 1.3496737436525164
Energy: 1.2776704774867296
Energy: 1.3282462699554276
Energy: 1.3241421147518913
Energy: 1.3489427699609282
Energy: 1.3444005225891063
Energy: 1.3714042406492963
Energy: 1.3353416143284014
Energy: 1.3445721769002206
Energy: 1.3366922581561145
Energy: 1.3459656600210534

minimum gb energy = 1.2640380843499193 eV
minimum distance =  2.27344281078004 Angstroms
sigma value = 19


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

Energy: 1.3962401598631171
Energy: 1.279335661569261
Energy: 1.312122048787423
Energy: 1.3117690165313043
Energy: 1.3121659334183575
Energy: 1.2800634479362876
Energy: 1.2680534563266692
Energy: 1.2616423314782093
Energy: 1.31487091640286
Energy: 1.3122329103854238
Energy: 1.3297250356220445
Energy: 1.273520143439053
Energy: 1.261051808516452
Energy: 1.2616662185521532
Energy: 1.252108423721197
Energy: 1.2523545252597947
Energy: 1.2617194893537118
Energy: 1.261465055833808
Energy: 1.264864346454121
Energy: 1.2614749049800202
Energy: 1.2964052300888564
Energy: 1.2739512165062965
Energy: 1.276156258563233
Energy: 1.2613634714369195
Energy: 1.2542513011076242
Energy: 1.26434292531518
Energy: 1.282860908926581
Energy: 1.2772269572824564
Energy: 1.351267728373886
Energy: 1.3364028338193301
Energy: 1.2641419836455887
Energy: 1.2677448452803033
Energy: 1.2765460328954537
Energy: 1.2771065900341656
Energy: 1.3363011764878565
Energy: 1.2641827207947514
Energy: 1.2706973389805973
Energy: 1.421465291683318
Energy: 1.4357737221857223
Energy: 1.3895088480856157
Energy: 1.4364533830780284
Energy: 1.4010691294813413
Energy: 1.2708302171073413
Energy: 1.4012277509970483
Energy: 1.2642700187549105
Energy: 1.2654959214796833
Energy: 1.2767040977311985
Energy: 1.2716231303294232
Energy: 1.2678451631559857
Energy: 1.319610324552283
Energy: 1.3241551899064214
Energy: 1.2634221493004916
Energy: 1.3233770801079636
Energy: 1.3231279066037755
Energy: 1.2707398470355376
Energy: 1.2716131437735907
Energy: 1.2632191144467828
Energy: 1.2638396333740196
Energy: 1.3225523778258865
Energy: 1.2718560906253975
Energy: 1.2641962940214766
Energy: 1.2647564614846178
Energy: 1.266028374888697
Energy: 1.2633710541411731
Energy: 1.2656291488033509
Energy: 1.2643275051975664
Energy: 1.3123072532997104
Energy: 1.2610256809634746
Energy: 1.2512555329214317
Energy: 1.2601454605188591
Energy: 1.2517763799882669
Energy: 1.3133586269547226
Energy: 1.312176910396508
Energy: 1.3129456607572407
Energy: 1.252604585542946
Energy: 1.3267874035005538
Energy: 1.2712435373060826
Energy: 1.312543328631019
Energy: 1.3117310698825497
Energy: 1.2263244031458975
Energy: 1.2511853918600706
Energy: 1.3270859197521079
Energy: 1.2259394728476691
Energy: 1.312580415879307
Energy: 1.250144927807354
Energy: 1.2514503588900743
Energy: 1.2598325262341428
Energy: 1.2602346573221002
Energy: 1.2599742301053938
Energy: 1.2517397677249653
Energy: 1.326029239528382
Energy: 1.2521206569466894
Energy: 1.251936813314794
Energy: 1.260221430152769
Energy: 1.252172125930092
Energy: 1.2606662346046598
Energy: 1.2601481378141517
Energy: 1.2604872169075685
Energy: 1.2541778384448339
Energy: 1.289718997944362
Energy: 1.2418647540934475
Energy: 1.2603162764749618
Energy: 1.2615974180096026
Energy: 1.2619640766030418
Energy: 1.2699664762363474
Energy: 1.2736738043338725
Energy: 1.2261936881393443
Energy: 1.2624423109728693
Energy: 1.2540744489682227
Energy: 1.262693867583972
Energy: 1.2722350913458835
Energy: 1.2722160466045294
Energy: 1.3401865411905085
Energy: 1.4136219276738815
Energy: 1.261683162507776
Energy: 1.2260769007968255
Energy: 1.3361700220302262
Energy: 1.2646137597373794
Energy: 1.3401984298684082
Energy: 1.2687539712352986
Energy: 1.2683026950189842
Energy: 1.379101888974644
Energy: 1.4508790240564937
Energy: 1.2605441620775835
Energy: 1.450389875673639
Energy: 1.269912142211337
Energy: 1.2704899890591703
Energy: 1.433038704749767
Energy: 1.276225326074782
Energy: 1.2813579965491764
Energy: 1.3854627009301312
Energy: 1.434048713028107
Energy: 1.2682368166390336
Energy: 1.3361961857196707
Energy: 1.2761059960009071
Energy: 1.2621496947292044
Energy: 1.33842842130292
Energy: 1.2685822867343028
Energy: 1.2682337981759708
Energy: 1.2687143118028466
Energy: 1.3801150537698126
Energy: 1.2616785439090108
Energy: 1.3786709623646571
Energy: 1.2686773896343209
Energy: 1.3244413572988634
Energy: 1.2615485376371587
Energy: 1.2644311741893737
Energy: 1.2647949215839893
Energy: 1.2653488722154087
Energy: 1.2692701044503978
Energy: 1.2642205546806202
Energy: 1.2646314101004976
Energy: 1.261347134309344
Energy: 1.2612400245459674
Energy: 1.2784636840417383
Energy: 1.3762399957936797
Energy: 1.3129169423386307
Energy: 1.2733881920905
Energy: 1.3784308250255413
Energy: 1.3267024174527888
Energy: 1.2640795497843305
Energy: 1.3140124021861368
Energy: 1.311991173745362
Energy: 1.3182708103971725
Energy: 1.264726158031224
Energy: 1.3268671998691197
Energy: 1.2735841335450826
Energy: 1.3122933813957576
Energy: 1.2887135318006309
Energy: 1.264286146830552
Energy: 1.2985503310844788
Energy: 1.312621778430638
Energy: 1.2986756424975463
Energy: 1.2973516198709785

minimum gb energy = 1.2259394728476691 eV
minimum distance =  2.26601526036668 Angstroms
sigma value = 101


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

Energy: 1.2603083736347944
Energy: 1.194951258487683
Energy: 1.245070579630101
Energy: 1.2655046208416325
Energy: 1.245782506920264
Energy: 1.624499414700596
Energy: 1.247337406511848
Energy: 1.2038421431109967
Energy: 1.2419101271661097
Energy: 1.262790938019054
Energy: 1.2159270230210995
Energy: 1.1981417823179397
Energy: 1.2008517072335076
Energy: 1.2034822664917315
Energy: 1.1938607781194883
Energy: 1.1958860450705135
Energy: 1.2035177511189217
Energy: 1.2033636182732699
Energy: 1.2160033272746318
Energy: 1.2154255654379595
Energy: 1.2041203457903111
Energy: 1.2208053255841704
Energy: 1.2030022091555115
Energy: 1.2170865960428614
Energy: 1.1937959292809286
Energy: 1.2002235915270145
Energy: 1.199882108108021
Energy: 1.1990417833598597
Energy: 1.1987389157264412
Energy: 1.2080199246048973
Energy: 1.2149143473636923
Energy: 1.2037022718042991
Energy: 1.1991859704170211
Energy: 1.197536037533307
Energy: 1.1969294181472603
Energy: 1.2165814913196287
Energy: 1.2032194017911253
Energy: 1.3019876329661901
Energy: 1.310310199948089
Energy: 1.3096111297851194
Energy: 1.306358413816751
Energy: 1.3016312533003456
Energy: 1.2038604888318665
Energy: 1.3026920721285324
Energy: 1.1977568471502777
Energy: 1.1990596345825193
Energy: 1.1972768361141648
Energy: 1.2040031813912313
Energy: 1.216283718048774
Energy: 1.3619998066563845
Energy: 1.30969607485763
Energy: 1.1976884235279541
Energy: 1.3099456591243666
Energy: 1.3010230935364173
Energy: 1.2156750148133189
Energy: 1.203188689570867
Energy: 1.1979912728807616
Energy: 1.197619664386719
Energy: 1.3100853845653655
Energy: 1.2044255164219373
Energy: 1.1996338859857774
Energy: 1.1991802186598728
Energy: 1.1980509455557482
Energy: 1.2008061172510467
Energy: 1.1998399857109519
Energy: 1.2002100577825432
Energy: 1.2142341656950542
Energy: 1.317144484422574
Energy: 1.2018304155365598
Energy: 1.196817532124184
Energy: 1.2002793720727951
Energy: 1.200458048098988
Energy: 1.215202361639074
Energy: 1.2159264844776705
Energy: 1.2004504143640242
Energy: 1.198924965301748
Energy: 1.2045513056389414
Energy: 1.215736234482068
Energy: 1.1991996995846255
Energy: 1.2162079566715536
Energy: 1.1973967789765454
Energy: 1.2127752057336845
Energy: 1.2157575884050629
Energy: 1.325359889317507
Energy: 1.2016052514719875
Energy: 1.1978311304524794
Energy: 1.2629036751780582
Energy: 1.2637652474373735
Energy: 1.2451462132777413
Energy: 1.2014437211805393
Energy: 1.268230919882611
Energy: 1.2726124119045528
Energy: 1.26328242742126
Energy: 1.2444104567762837
Energy: 1.197655443996641
Energy: 1.2715860287739584
Energy: 1.2441543948106453
Energy: 1.2455176971039612
Energy: 1.1937104786270434
Energy: 1.1941061187097552
Energy: 1.2141879649208274
Energy: 1.245303338948523
Energy: 1.261938340003472
Energy: 1.1980507617616185
Energy: 1.2038755305473614
Energy: 1.2913432798612186
Energy: 1.2137816150492546
Energy: 1.2215757450868985
Energy: 1.1941695583632337
Energy: 1.2010015891194057
Energy: 1.2038888425990444
Energy: 1.2001983734671278
Energy: 1.2035532578716095
Energy: 1.1939238628782465
Energy: 1.235318085815564
Energy: 1.2033868994565142
Energy: 1.2164225963934507
Energy: 1.215304216593346
Energy: 1.2159136546736478
Energy: 1.216048959349284
Energy: 1.1971163074233981
Energy: 1.2001809320498078
Energy: 1.19721132940911
Energy: 1.1946937243087765
Energy: 1.2010238328269407
Energy: 1.2007523305868388
Energy: 1.197676533833685
Energy: 1.1975492977692257
Energy: 1.2039109452677912
Energy: 1.2151280249812977
Energy: 1.200108020954072
Energy: 1.1982065423093415
Energy: 1.2207386363514205
Energy: 1.4108639701578514
Energy: 1.2034944589903163
Energy: 1.2046215859370657
Energy: 1.3091303138460242
Energy: 1.3099329721369675
Energy: 1.1973275742169236
Energy: 1.1974875230968798
Energy: 1.3044850073012855
Energy: 1.2036816253214349
Energy: 1.3014411113703417
Energy: 1.1993656014665575
Energy: 1.1971422025044614
Energy: 1.3090604725784771
Energy: 1.3019040429265625
Energy: 1.2037699783165088
Energy: 1.3019328518673512
Energy: 1.1974615497603474
Energy: 1.1976444521788443
Energy: 1.3108227998571236
Energy: 1.2034949019482146
Energy: 1.2049437571248214
Energy: 1.2042168606200623
Energy: 1.3106860762531913
Energy: 1.1979798356596734
Energy: 1.1990909104203664
Energy: 1.1984070454168836
Energy: 1.2149213521955178
Energy: 1.2009311285821254
Energy: 1.1981352452937972
Energy: 1.1973670397898928
Energy: 1.2005345251170758
Energy: 1.1980227552818605
Energy: 1.2001912683419123
Energy: 1.1983949180083564
Energy: 1.1974362161805612
Energy: 1.2125071975943478
Energy: 1.2001969872160383
Energy: 1.2159436649447644
Energy: 1.2153283216777748
Energy: 1.2164272902779665
Energy: 1.1999699344591344
Energy: 1.197916267501142
Energy: 1.2046511852685544
Energy: 1.2664411958863901
Energy: 1.1996750809394123
Energy: 1.2665849458013925
Energy: 1.2039170102075103
Energy: 1.2625053793696916
Energy: 1.2635653113680316
Energy: 1.2001213643157531
Energy: 1.2608534742094664
Energy: 1.1980385182899047
Energy: 1.2630956552838644
Energy: 1.2441252400228384
Energy: 1.2451072472696567
Energy: 1.2147332816807115
Energy: 1.2595584387852576
Energy: 1.1975502679476249
Energy: 1.2449754075095667
Energy: 1.2285937548602595
Energy: 1.2007819236757225
Energy: 1.1987537854885417
Energy: 1.2445245822771311
Energy: 1.1984272124001913
Energy: 1.1941239686902505

minimum gb energy = 1.1937104786270434 eV
minimum distance =  2.27252079242602 Angstroms
sigma value = 33


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

Energy: 0.01491720673974891
Energy: 0.015593326277769897
Energy: 0.09550725166611626
Energy: 0.09554773854904276
Energy: 0.09692357797938402
Energy: 0.015543996849136326
Energy: 0.015090881601823841
Energy: 0.1094478518772571
Energy: 0.11004022414814359
Energy: 0.11042876875176541
Energy: 0.10939131718363565
Energy: 0.10969218527883727
Energy: 0.9470746047387162
Energy: 0.09591625709774475
Energy: 0.015591943125952874
Energy: 0.016545280913560258
Energy: 0.09618686337416195
Energy: 0.09524434770911798
Energy: 0.10948858541367848
Energy: 0.10944785187796388
Energy: 0.11004022414814359
Energy: 0.11042876875176541
Energy: 0.10939131718363565
Energy: 0.10969218527883727

minimum gb energy = 0.01491720673974891 eV
minimum distance =  2.4532363864033 Angstroms
sigma value = 1