Model name: model_name=Sim_LAMMPS_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855312466621399
cohesive_energy=4.013297947344727
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.28468931220656e-19, 2.13235290395694e-19, 2.82981243626982e-19, 3.44538472081896e-19, 3.9416749549667997e-19, 4.3340480126333994e-19, 4.644790170797699e-19, 4.8980141878014e-19, 5.11546160056788e-19, 5.310029931000839e-19, 5.4859168818813595e-19, 5.6435870844333e-19, 5.78328086515176e-19, 5.9057192035220395e-19, 6.0120877102533e-19, 6.10400458374588e-19, 6.182879739437699e-19, 6.249994918635959e-19, 6.30611916612498e-19, 6.351572917231559e-19, 6.386404237254719e-19, 6.410773343857859e-19, 6.424952607068759e-19, 6.429502788709319e-19, 6.424712280573659e-19, 6.40952364608334e-19, 6.38268718746384e-19, 6.342744923978219e-19, 6.28793446132908e-19, 6.216221035191239e-19, 6.1252814894454e-19, 6.01242416734644e-19, 5.87471708565414e-19, 5.705367015440339e-19, 5.49139632596964e-19, 5.217504230387339e-19, 4.86305469364752e-19, 4.40947848856212e-19, 3.8431410919757993e-19, 3.14641856091456e-19, 2.2907120424615e-19, 1.206233926792848e-19, -3.24435961855098e-20, -2.6284028116096796e-19, -6.3238712832297e-19, -1.2523461724960019e-18, -2.3323365914128198e-18, -4.32190351374768e-18, -8.31436746801228e-18, -1.71346382299764e-17, -3.8891075396052596e-17, -8.800355706403499e-17, -1.66046381994492e-16, -3.0192698232403196e-16]
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: 0.015194027657600532
Energy: 0.015345238037642591
Energy: 1.5927642928555779
Energy: 0.01576567291594851
Energy: 0.015788638913268996
Energy: 1.5902674860783912
Energy: 0.015508492533130965
Energy: 0.016279595726899885
Energy: 0.2030107516047978
Energy: 0.3759903863707751
Energy: 0.16838033779591718
Energy: 0.37563507631161436
Energy: 0.3761497989263946
Energy: 0.16846845328141238
Energy: 0.16859308480377697
Energy: 0.3754428691683062
Energy: 0.37645604317942627
Energy: 0.1684310945554085
Energy: 0.37557467639415926
Energy: 0.2033347333875615
Energy: 0.1680929526579204
Energy: 0.16905857672892932
Energy: 0.3764478792559785
Energy: 0.20390397094483
Energy: 0.16910738978735548
Energy: 0.16947878015496207
Energy: 0.20375511045686906
Energy: 0.16824682017051562
Energy: 0.1680262307535074
Energy: 0.20350976784873281
Energy: 0.377585148407343
Energy: 0.1692131227972873
Energy: 0.3754960041489505
Energy: 0.20300439046955707
Energy: 0.1687313044380696
Energy: 0.015574045760550288
Energy: 0.20306457047840165
Energy: 0.37595121535872345
Energy: 0.01597751954317565
Energy: 0.01621284751358452
Energy: 0.37574251265817443
Energy: 0.16887111716107156

minimum gb energy = 0.015194027657600532 eV
minimum distance =  2.44091817948229 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 2.365838817947132
Energy: 1.6230638341161323
Energy: 1.712949149406583
Energy: 1.2521360163845034
Energy: 1.2524235521177538
Energy: 2.104085623013925
Energy: 1.6228428402562802
Energy: 1.2690160838959297
Energy: 1.3091939942557411
Energy: 1.3017428287226378
Energy: 1.2876603710571084
Energy: 1.2649565829616425
Energy: 1.2734688787017805
Energy: 1.319439226082627
Energy: 1.2394838426212986
Energy: 1.2667959066521524
Energy: 1.2707681237296107
Energy: 1.269833571880623
Energy: 1.2979993667388314
Energy: 1.2700560793748366
Energy: 1.2750040659877073
Energy: 1.2011498092406765
Energy: 1.2510420548351722
Energy: 1.2797903154532186
Energy: 1.2420627011463108
Energy: 1.272863171445766
Energy: 1.294874266565434
Energy: 1.2451007227443045
Energy: 1.2935572811773446
Energy: 1.2522876160587646
Energy: 1.2598067149567023
Energy: 1.2508870188386765
Energy: 1.265758716003079
Energy: 1.261826964364822
Energy: 1.244402383409626
Energy: 1.2676550690206696
Energy: 1.274335851525519
Energy: 1.2421006334620301
Energy: 1.2615413042409072
Energy: 1.2554831876236543
Energy: 1.23788823417403
Energy: 1.2643384497262913
Energy: 1.2641791322014004
Energy: 1.2675903923787972
Energy: 1.2434186899841244
Energy: 1.273338956799341
Energy: 1.2657759571540677
Energy: 1.2318628079176552
Energy: 1.2664550145751698
Energy: 1.2846224928565089
Energy: 1.2523325467180928
Energy: 1.2687161270565672
Energy: 1.3117404811620652
Energy: 1.2761012691231146
Energy: 1.2706342604281688
Energy: 1.26268773721206
Energy: 1.3084731741828475
Energy: 1.2869568087305263
Energy: 1.2945012974165864
Energy: 1.281088467375719
Energy: 1.2554859454153775
Energy: 1.2716384378233263
Energy: 1.2646285375307176
Energy: 1.3489664120699016
Energy: 1.2844787668064186
Energy: 1.2623778239774561
Energy: 1.285840585443458
Energy: 1.270796787579566
Energy: 1.2498551982849662
Energy: 1.3340425440195824
Energy: 1.266433530460644
Energy: 1.292942961321532
Energy: 1.2694481010953336
Energy: 1.3093021717402662
Energy: 1.2944884563569037
Energy: 1.2721175298603746
Energy: 1.2906646777857729
Energy: 1.3234219213531104
Energy: 1.3085416977511672
Energy: 1.2583303982854002
Energy: 1.2688087294642056
Energy: 1.3202997204815223
Energy: 1.2540104150489129
Energy: 1.262577816222856
Energy: 1.33639328466379
Energy: 1.2459467749127469
Energy: 1.2491318691908027
Energy: 1.2722035522181177
Energy: 1.266556306436913
Energy: 1.2287704266166233
Energy: 1.3130850359303077
Energy: 1.3137517993806331
Energy: 1.262043514510936
Energy: 1.2766327435377083
Energy: 1.2663212063212759
Energy: 1.276632739148089
Energy: 1.294657742144261
Energy: 1.2281274473161636
Energy: 1.1711256061451745
Energy: 1.2056382035180644
Energy: 1.2029662442833078
Energy: 1.22840213238774
Energy: 1.208923060036229
Energy: 1.2183003511314918
Energy: 1.233887427209499
Energy: 1.172661619806837
Energy: 1.20399949864689
Energy: 1.2268376252442421
Energy: 1.2354191928559342
Energy: 1.218462331261599
Energy: 1.2227056047935776
Energy: 1.2229718948995716
Energy: 1.2951315484438444
Energy: 1.2279710698108075
Energy: 1.3157940033991138
Energy: 1.261882973375082
Energy: 1.2844694491411184
Energy: 1.326574164962849
Energy: 1.2529122511288795
Energy: 1.2668522664641912
Energy: 1.3434116996332421
Energy: 1.218302228495356
Energy: 1.2904528940686368
Energy: 1.227270496484092
Energy: 1.284939535602477
Energy: 1.2659744542105644
Energy: 1.2739458710195146
Energy: 1.3615727819670134
Energy: 1.2617544127883649
Energy: 1.2320106852763857
Energy: 1.2809150203101904
Energy: 1.3709405352585768
Energy: 1.2111697684325655
Energy: 1.252967878475954
Energy: 1.262671371854344
Energy: 1.2323584728717365
Energy: 1.2843302358266304
Energy: 1.2534972328150222
Energy: 1.221375287769303
Energy: 1.2830949928718973
Energy: 1.2042911819945716
Energy: 1.2611149326632978
Energy: 1.2238210626558284
Energy: 1.2170627119626072
Energy: 1.217460282316403
Energy: 1.2388696102435504
Energy: 1.291080841766825
Energy: 1.2012624595238446
Energy: 1.3547644319323144
Energy: 1.2963913215158867
Energy: 1.2112341337162078
Energy: 1.300175465203371
Energy: 1.2118788828172087
Energy: 1.2406158474565254
Energy: 1.1850793742454693
Energy: 1.207399229962714
Energy: 1.2287876650183278
Energy: 1.2022887542879896
Energy: 1.2256758665768455
Energy: 1.219863891557487
Energy: 1.1967811883063053
Energy: 1.1635065388763854
Energy: 1.1929110190643366
Energy: 1.216797169825513
Energy: 1.1691994885682053
Energy: 1.2125020041950634
Energy: 1.217819605495616
Energy: 1.1770081123714295
Energy: 1.1815840909445174
Energy: 1.2318519589788415
Energy: 1.229069006850986
Energy: 1.2021212544471227
Energy: 1.2243021596335608
Energy: 1.2405906771638524
Energy: 1.2076663484199153
Energy: 1.2898550267633893
Energy: 1.2995845801315296
Energy: 1.1956089351926056
Energy: 1.3230159539136255
Energy: 1.249747562589124
Energy: 1.253707459429316
Energy: 1.3358514592287247
Energy: 1.6382377486895807
Energy: 1.3054436436782575
Energy: 1.1824758744672532
Energy: 1.2404245384461572
Energy: 1.2079979318319125
Energy: 1.178806173295581
Energy: 1.2828930311626854
Energy: 1.2716838270990525
Energy: 1.3008806583428665
Energy: 1.2101988385263445
Energy: 1.330219391437604
Energy: 1.2698444023706361
Energy: 1.201055079266224
Energy: 1.2784488764536188
Energy: 1.2583613616805833
Energy: 1.378287130042884
Energy: 1.3286610606437088
Energy: 1.1996251053861322
Energy: 1.222513841826358
Energy: 1.3066375770107763
Energy: 1.2761761880347409
Energy: 1.3027618989553427
Energy: 1.3605338145211254
Energy: 1.4016010072271026
Energy: 1.182873204240638
Energy: 1.1926982504498884
Energy: 1.4029256334188756
Energy: 1.5181936044119635
Energy: 1.3591451106535348
Energy: 1.2899593760490207
Energy: 1.2927997978588004
Energy: 1.2454536226446373
Energy: 1.2545284257192768
Energy: 1.2929740946427264
Energy: 1.2465695069734837
Energy: 1.18310690237092
Energy: 1.2258894057702276
Energy: 1.1838557102485427
Energy: 1.2295327270146754
Energy: 1.2236456827884379
Energy: 1.1889775510621237
Energy: 1.2139998579701083
Energy: 1.1531502431118632
Energy: 1.187744785671728
Energy: 1.1871322693383999
Energy: 1.2166122950137845
Energy: 1.2142479821715673
Energy: 1.1820321547860122
Energy: 1.2194275248966255
Energy: 1.257845811234348
Energy: 1.2330525464475581
Energy: 1.1942611806831918
Energy: 1.2190507619916882
Energy: 1.2243555458780864
Energy: 1.2035442723783945
Energy: 1.2313831748147022
Energy: 1.3628603861212194
Energy: 1.2155649164504376
Energy: 1.2558839580117263
Energy: 1.2116570319691924
Energy: 1.188820936800938
Energy: 1.2793930164559304
Energy: 1.3244443213767898
Energy: 1.3624413289481856
Energy: 1.2176460405292928
Energy: 1.31478837615123
Energy: 1.222165391317733
Energy: 1.3468134024705845
Energy: 1.2166968320217826
Energy: 1.3328765643331344
Energy: 1.2732333327341578
Energy: 1.2988544701388103
Energy: 1.2817899064134093
Energy: 1.2937620874540245
Energy: 1.301676141123543
Energy: 1.2801029751902409
Energy: 1.2748880474296493
Energy: 1.358247944858259
Energy: 1.261326211062978
Energy: 1.2911693068864056
Energy: 1.3842764466997546
Energy: 1.2849723460032891
Energy: 1.284134451222738
Energy: 1.3130162805739198
Energy: 1.3480057871275597
Energy: 1.2905584734954605
Energy: 1.290833318483402
Energy: 1.2390863689996747
Energy: 1.2947009454615739
Energy: 1.2905446476248459
Energy: 1.3315975136091691
Energy: 1.22478014793257
Energy: 1.2810810381258861
Energy: 1.238890709554042
Energy: 1.261259272205738
Energy: 1.230263702662476
Energy: 1.2684238520556985
Energy: 1.2756070387442944
Energy: 1.1725755046973267
Energy: 1.2014844748492244
Energy: 1.2327042250561138
Energy: 1.220809731289654
Energy: 1.2013462032859565
Energy: 1.2481488126007585
Energy: 1.2187485813890941
Energy: 1.1914824727117515
Energy: 1.205573379432293
Energy: 1.2271377534852133
Energy: 1.2035210187323633
Energy: 1.2001663579701773
Energy: 1.2256478254164733
Energy: 1.2188498580090297
Energy: 1.3232220942241013
Energy: 1.2811173314195732
Energy: 1.2855350741937082
Energy: 1.2912314708589316
Energy: 1.2758550757053464
Energy: 1.269283805828792
Energy: 1.27674016303816
Energy: 1.2183229960639501
Energy: 1.2612499866893045
Energy: 1.273662766693299
Energy: 1.2239717069524811
Energy: 1.266633174986858
Energy: 1.2643584939399273
Energy: 1.2283696583814634
Energy: 1.2307122028661526
Energy: 1.2697177371598236
Energy: 1.272558073484661
Energy: 1.2637322728256761
Energy: 1.312858642086512
Energy: 1.2706881266607848
Energy: 1.2696816689714947
Energy: 1.305676550618577
Energy: 1.285435803698955
Energy: 1.3284709541711088
Energy: 1.2933748284703384
Energy: 1.293507543283595
Energy: 1.3265321625157362
Energy: 1.289850793311184
Energy: 1.261143404046295
Energy: 1.271781711341797
Energy: 1.2437772415225228
Energy: 1.2613321589478383
Energy: 1.2612354457523671
Energy: 1.2341135669414782
Energy: 1.3076345046797355

minimum gb energy = 1.1531502431118632 eV
minimum distance =  2.23287004677843 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 1.995122449493836
Energy: 1.612492793448627
Energy: 1.8148447481654086
Energy: 1.5316309261577106
Energy: 1.53219359325482
Energy: 1.3849230582817829
Energy: 1.6708527960658481
Energy: 1.2561575784277494
Energy: 1.2156720913329364
Energy: 1.2650364036207384
Energy: 1.2248704275498148
Energy: 1.20286459148181
Energy: 1.230728793795914
Energy: 1.2337211749842707
Energy: 1.2380871942844536
Energy: 1.2153213617103578
Energy: 1.2839263277747994
Energy: 1.2285749119075946
Energy: 1.2171775979739385
Energy: 1.2872154365659505
Energy: 1.2314568988471677
Energy: 1.316096910433477
Energy: 1.2079736917158928
Energy: 1.372232467704723
Energy: 1.2241242694222456
Energy: 1.37232896620263
Energy: 1.2987342863992841
Energy: 1.3465242333825567
Energy: 1.325046337747565
Energy: 1.2305865286525821
Energy: 1.3510231698020718
Energy: 1.2662014687472711
Energy: 1.2895797867171004
Energy: 1.2735314196514864
Energy: 1.236874385060077
Energy: 1.4080030038264506
Energy: 1.3855499166400638
Energy: 1.2976429892149255
Energy: 1.3667770976005478
Energy: 1.359165025857918
Energy: 1.3013891808887459
Energy: 1.3772884120859452
Energy: 1.4056459125294472
Energy: 1.3885296091124617
Energy: 1.3080888965570046
Energy: 1.3857248839000793
Energy: 1.3866108784368985
Energy: 1.2839291756651299
Energy: 1.3793127324436156
Energy: 1.4037858137882275
Energy: 1.4228162982391777
Energy: 1.3314748380864598
Energy: 1.3834966405212215
Energy: 1.3983508406344574
Energy: 1.3546079077255297
Energy: 1.3614474425865406
Energy: 1.3653914786044241
Energy: 1.3323077530907923
Energy: 1.3194794010949809
Energy: 1.292939101850553
Energy: 1.3234959391135594
Energy: 1.2925355421939309
Energy: 1.3682942997507677
Energy: 1.4105519017840324
Energy: 1.2762148381008735
Energy: 1.3003204451188763
Energy: 1.423526594978349
Energy: 1.3402262435852328
Energy: 1.288386607019412
Energy: 1.3684647272587962
Energy: 1.5074486286982136
Energy: 1.3421151333451027
Energy: 1.3372722911918764
Energy: 1.4342532656903795
Energy: 1.309226908691371
Energy: 1.3746930512688182
Energy: 1.3970179592490735
Energy: 1.4573296338493165
Energy: 1.4244419754439142
Energy: 1.3252661599958568
Energy: 1.376612276494329
Energy: 1.439105709137154
Energy: 1.3091680293335353
Energy: 1.374947329326988
Energy: 1.445455549865092
Energy: 1.3599890663278407
Energy: 1.346333149452387
Energy: 1.3970118298580345
Energy: 1.4307503763450389
Energy: 1.3458909404417463
Energy: 1.4276652115812483
Energy: 1.2847090582618705
Energy: 1.2794883020923078
Energy: 1.283284576757005
Energy: 1.3421939173340236
Energy: 1.3100168395053797
Energy: 1.3077428788618655
Energy: 1.3124020595625066
Energy: 1.2543319103898651
Energy: 1.2815071704180332
Energy: 1.2933381006704938
Energy: 1.2926563669567592
Energy: 1.284321056166611
Energy: 1.3150561238671556
Energy: 1.3074308010057678
Energy: 1.260879372586464
Energy: 1.297981301112113
Energy: 1.294830639761419
Energy: 1.2886593052000976
Energy: 1.2654395879948013
Energy: 1.2916572925132899
Energy: 1.2917624374545449
Energy: 1.2754573843152768
Energy: 1.277646985180847
Energy: 1.2985420508232766
Energy: 1.2818520102731266
Energy: 1.2807248218996374
Energy: 1.368377577185085
Energy: 1.2861447532658705
Energy: 1.3704911884074809
Energy: 1.26729928370901
Energy: 1.4585040978298245
Energy: 1.2918144678496029
Energy: 1.3395871004027007
Energy: 1.3395154917546883
Energy: 1.3349931387207004
Energy: 1.3020544260098499
Energy: 1.339344395909546
Energy: 1.3981967195054015
Energy: 1.289983292087181
Energy: 1.2891687623499097
Energy: 1.393675576702086
Energy: 1.3250701199732469
Energy: 1.2841793794657224
Energy: 1.2947947467017364
Energy: 1.4246940546004503
Energy: 1.3075262133893457
Energy: 1.3213100001789184
Energy: 1.3453930873990323
Energy: 1.307303631219652
Energy: 1.1913977079338105
Energy: 1.264361978309941
Energy: 1.3126568718490286
Energy: 1.1721637455680145
Energy: 1.1720444101214782
Energy: 1.2985044567861064
Energy: 1.2883506145018198
Energy: 1.1913799859839511
Energy: 1.2577180455375212
Energy: 1.3177541988526795
Energy: 1.1833686803829868
Energy: 1.1721913410379456
Energy: 1.2842858612291417
Energy: 1.269954013240725
Energy: 1.3143515648416588
Energy: 1.3045698633204517
Energy: 1.4055759885597903
Energy: 1.3036213022683165
Energy: 1.2927381061493088
Energy: 1.3763746174650016
Energy: 1.3087420061917954
Energy: 1.2901117790908871
Energy: 1.3063231484280171
Energy: 1.3941742176103156
Energy: 1.3274548651890206
Energy: 1.3145346158496398
Energy: 1.3915009939847796
Energy: 1.33116400559273
Energy: 1.3441293800477752
Energy: 1.3151502273067397
Energy: 1.3834988032796385
Energy: 1.3625402100325212
Energy: 1.310658264377623
Energy: 1.393297968211513
Energy: 1.3624563908704916
Energy: 1.4049157336045022
Energy: 1.3584505778309648
Energy: 1.330870878588385
Energy: 1.3762156366087706
Energy: 1.3721193209389326
Energy: 1.3588478961552364
Energy: 1.370725502607797
Energy: 1.3766740821680246
Energy: 1.3302373911252157
Energy: 1.2983397443439644
Energy: 1.4036036672238394
Energy: 1.3778795116977551
Energy: 1.2950055535508693
Energy: 1.3791364319544523
Energy: 1.3974229531116278
Energy: 1.3406738922882548
Energy: 1.3343488639376149
Energy: 1.3737323085888655
Energy: 1.4016475826489954
Energy: 1.325753338677153
Energy: 1.3703620045554101
Energy: 1.363368799942123
Energy: 1.2764636215297884
Energy: 1.2867295309958242
Energy: 1.3088214633780688
Energy: 1.319632412106817
Energy: 1.3032528049776926
Energy: 1.3171356354756376
Energy: 1.4210283073404248
Energy: 1.6722523977797683
Energy: 1.660962302256461
Energy: 1.430269798571113
Energy: 1.3187669676226168
Energy: 1.6598084860087685
Energy: 1.4659631800281046
Energy: 1.3510460094575683
Energy: 1.2846899475718516
Energy: 1.287420141318869
Energy: 1.3025662123361141
Energy: 1.2988984579981935
Energy: 1.3178460174060895
Energy: 1.34794082130964
Energy: 1.4620789266231515
Energy: 1.376476572408956
Energy: 1.3341293060197803
Energy: 1.3700574440787883
Energy: 1.4372338400534959
Energy: 1.3521925093819727
Energy: 1.3965547463091466
Energy: 1.5258188585716586
Energy: 1.3779751916495881
Energy: 1.34558457353118
Energy: 1.4731515334162715
Energy: 1.4238832379189954
Energy: 1.3453070890762928
Energy: 1.3836324743897424
Energy: 1.5079672615652315
Energy: 1.3697365929170726
Energy: 1.3418718986279903
Energy: 1.3820946929475084
Energy: 1.3097515518721201
Energy: 1.3511971079596339
Energy: 1.3914780316093773
Energy: 1.27712725197365
Energy: 1.2652390992747948
Energy: 1.2881092839266248
Energy: 1.3109636565970415
Energy: 1.2279199809398589
Energy: 1.3108704872236931
Energy: 1.3036125050419214
Energy: 1.274365322199855
Energy: 1.2717078735544964
Energy: 1.2937550024128364
Energy: 1.2878939489535681
Energy: 1.2797195077291579
Energy: 1.274168572617605
Energy: 1.2804867109171665
Energy: 1.2704550809176713
Energy: 1.2479170417882086
Energy: 1.3281616755256136
Energy: 1.272627022233441
Energy: 1.2385741795721377
Energy: 1.2883183732888708
Energy: 1.2881008309911803
Energy: 1.3387249715514251
Energy: 1.2187413347401679
Energy: 1.3468123623974704
Energy: 1.2355520341548107
Energy: 1.2530089291344386
Energy: 1.2737929547427818
Energy: 1.2303676501780505
Energy: 1.3475718708509141
Energy: 1.2615498515479286
Energy: 1.3014804292185742
Energy: 1.2100661598241178
Energy: 1.2546928451697146
Energy: 1.4394629937063708
Energy: 1.3742548345508885
Energy: 1.2243902430946656
Energy: 1.1956734780851181
Energy: 1.2835015377204724
Energy: 1.225955834268191
Energy: 1.2434194747824434
Energy: 1.27403449156817
Energy: 1.2258303211793025
Energy: 1.2394021599325438
Energy: 1.2350758255284568
Energy: 1.2804806213785243
Energy: 1.1722240211319273
Energy: 1.1942008330408114
Energy: 1.2358811466315176
Energy: 1.229104465584833

minimum gb energy = 1.1720444101214782 eV
minimum distance =  2.2488719379279 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.6127622836201956
Energy: 1.3959244239626134
Energy: 1.4237073645989846
Energy: 1.4128975331807667
Energy: 1.3757604152231877
Energy: 1.494799337291311
Energy: 1.6787016360673408
Energy: 1.2193723691329725
Energy: 1.2349123870989598
Energy: 1.2825529671552416
Energy: 1.2787543921303752
Energy: 1.233970227020534
Energy: 1.3092156455019344
Energy: 1.3124027914649055
Energy: 1.2169591867865384
Energy: 1.2056917032955268
Energy: 1.2112447209367938
Energy: 1.2387490084785047
Energy: 1.2194580826142596
Energy: 1.336528099333766
Energy: 1.2360044144896425
Energy: 1.2753126031540398
Energy: 1.1967993260127883
Energy: 1.2141552528326274
Energy: 1.293999572672936
Energy: 1.3253808612247444
Energy: 1.396403627230593
Energy: 1.3286694024572459
Energy: 1.2667520849641485
Energy: 1.3210898549594967
Energy: 1.283992007841536
Energy: 1.2704043670210565
Energy: 1.234921734972096
Energy: 1.2731153958998878
Energy: 1.3079582678235915
Energy: 1.3801455662472255
Energy: 1.3808638200425762
Energy: 1.3772282917460876
Energy: 1.3673249513434076
Energy: 1.382580039170918
Energy: 1.3807563414862019
Energy: 1.3924317060360314
Energy: 1.3663460729587869
Energy: 1.3710300176596766
Energy: 1.3584494752237404
Energy: 1.3941781627466838
Energy: 1.3632705671932892
Energy: 1.3573320563339535
Energy: 1.3730803388470543
Energy: 1.3059891569053794
Energy: 1.250463736291325
Energy: 1.3544844855317928
Energy: 1.3372893628912945
Energy: 1.3244071154638672
Energy: 1.3282246088326972
Energy: 1.3483607234629489
Energy: 1.3879950247205097
Energy: 1.2828936773389317
Energy: 1.2570605110911257
Energy: 1.3647592730973532
Energy: 1.2738793086421425
Energy: 1.2979692340513371
Energy: 1.3020166339915107
Energy: 1.3700721877769197
Energy: 1.328718591826705
Energy: 1.3918198392389232
Energy: 1.3983341173300319
Energy: 1.3640355099124264
Energy: 1.3002796921773045
Energy: 1.390555036848153
Energy: 1.3274802338567135
Energy: 1.295823568300436
Energy: 1.278857339068997
Energy: 1.2976277973515526
Energy: 1.290154894438732
Energy: 1.2523616868877516
Energy: 1.3158734999014934
Energy: 1.3485188214372414
Energy: 1.3326416239069683
Energy: 1.413072284137547
Energy: 1.3591884880268466
Energy: 1.3415180408462095
Energy: 1.3038026883308935
Energy: 1.355379749899994
Energy: 1.3308250594548237
Energy: 1.367191971210133
Energy: 1.4066770211970594
Energy: 1.4032647982833086
Energy: 1.3565516630815015
Energy: 1.4114638811132314
Energy: 1.401222629745242
Energy: 1.2838727965098369
Energy: 1.2717476927310936
Energy: 1.2598275812227968
Energy: 1.272798107066058
Energy: 1.2705796072385607
Energy: 1.301302452698879
Energy: 1.2775096253238507
Energy: 1.290478826262242
Energy: 1.3019427829441597
Energy: 1.3447357593957716
Energy: 1.3185776284191217
Energy: 1.3236832005636183
Energy: 1.339222081230278
Energy: 1.3337922408306873
Energy: 1.3645953716010693
Energy: 1.3203861634686969
Energy: 1.3417648737517394
Energy: 1.3674148091842688
Energy: 1.3963147276009833
Energy: 1.3488660384390347
Energy: 1.300525044554974
Energy: 1.3004759472330962
Energy: 1.3094009124873218
Energy: 1.3400552778523858
Energy: 1.2712153379178952
Energy: 1.3003113283618823
Energy: 1.3397235260534452
Energy: 1.2916982095661624
Energy: 1.3370488181840958
Energy: 1.405941490858951
Energy: 1.4081293805298978
Energy: 1.3504601284197855
Energy: 1.3997498629629699
Energy: 1.4100723884007746
Energy: 1.3551081260150577
Energy: 1.3416254100400318
Energy: 1.3706010333419758
Energy: 1.3876244096521075
Energy: 1.336225966989781
Energy: 1.3699190974947484
Energy: 1.3847733535245872
Energy: 1.3079951851471276
Energy: 1.2963212896031484
Energy: 1.2967482089882731
Energy: 1.3103378018356526
Energy: 1.2422164034443703
Energy: 1.2862534936170322
Energy: 1.2718001357091693
Energy: 1.2994770161837017
Energy: 1.3401273350238634
Energy: 1.382713143234105
Energy: 1.3918619700261943
Energy: 1.3644493392928396
Energy: 1.3990032862561845
Energy: 1.3630819781774173
Energy: 1.3408587539654226
Energy: 1.339500391475205
Energy: 1.2998152308128403
Energy: 1.342594601711805
Energy: 1.315477623803243
Energy: 1.300332898756689
Energy: 1.3559620333758062
Energy: 1.4146364835591725
Energy: 1.2835870742934092
Energy: 1.2714627795883187
Energy: 1.4140263813381784
Energy: 1.3573274289148014
Energy: 1.3430718359289369
Energy: 1.3706066560425503
Energy: 1.3533331596732312
Energy: 1.3626316771413278
Energy: 1.3699452301704005
Energy: 1.4214045667890003
Energy: 1.3812072173403274
Energy: 1.3483325699177544
Energy: 1.4027477169432163
Energy: 1.4056140438418303
Energy: 1.3837538385293384
Energy: 1.369223612416923
Energy: 1.4113852058557386
Energy: 1.4076260154151166
Energy: 1.3561543766611042
Energy: 1.3747015791808967
Energy: 1.4242793623982852
Energy: 1.2615546021967428
Energy: 1.277432156883758
Energy: 1.3070271823328787
Energy: 1.2603956833065577
Energy: 1.274401732399561
Energy: 1.2444280130821352
Energy: 1.2833839566528038
Energy: 1.3558197760607293
Energy: 1.2890407232444876
Energy: 1.28934577249864
Energy: 1.372984651239082
Energy: 1.3144000016054755
Energy: 1.319965196778828
Energy: 1.4031534414088551
Energy: 1.3163094053800706
Energy: 1.313998645898853
Energy: 1.3260363069621088
Energy: 1.3095971957081987
Energy: 1.2890696026814057
Energy: 1.2692680344792715
Energy: 1.4003632447255883
Energy: 1.3560988209697646
Energy: 1.2661801348047432
Energy: 1.2863148428827311
Energy: 1.384147197689157
Energy: 1.333914183122974
Energy: 1.3264811681622437
Energy: 1.3464200203114423
Energy: 1.3614231689353606
Energy: 1.373774415828734
Energy: 1.3814950598440505
Energy: 1.4121832701983275
Energy: 1.358639085121015
Energy: 1.3568209047588136
Energy: 1.375064969665695
Energy: 1.3592174350640922
Energy: 1.3392124440188697
Energy: 1.3473725613757899
Energy: 1.3729695273307172
Energy: 1.352985245551877
Energy: 1.3294614128885505
Energy: 1.3443245650891644
Energy: 1.3186115894916555
Energy: 1.271181378979847
Energy: 1.2657777055271178
Energy: 1.254887668226334
Energy: 1.20550219111319
Energy: 1.2435156933342912
Energy: 1.3356833311107736
Energy: 1.3990597243140108
Energy: 1.4966261412552508
Energy: 1.4927008352956952
Energy: 1.4106973460207757
Energy: 1.3629067678014655
Energy: 1.3843742421081113
Energy: 1.3619612271877073
Energy: 1.2221444282219103
Energy: 1.2132572906069279
Energy: 1.2115233237907888
Energy: 1.236198231813524
Energy: 1.3597988638722471
Energy: 1.2572410362300028
Energy: 1.2782763098571372
Energy: 1.315217490571326
Energy: 1.2855090825876594
Energy: 1.2911601686134218
Energy: 1.2878892071969361
Energy: 1.2812514929394279
Energy: 1.2760446756172426
Energy: 1.320869841564373
Energy: 1.397750376878697
Energy: 1.353884723290254
Energy: 1.345702065426584
Energy: 1.3460378075856474
Energy: 1.386746265310218
Energy: 1.3871332945062675
Energy: 1.4504953996131866

minimum gb energy = 1.1967993260127883 eV
minimum distance =  2.24782933852026 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 1.5708621071007787
Energy: 1.573129689752682
Energy: 1.6234632203209882
Energy: 1.5744582060379635
Energy: 1.5741887334733118
Energy: 1.55816142692684
Energy: 1.573217195419478
Energy: 1.3113091975273248
Energy: 1.2774810745385263
Energy: 1.2676876379118796
Energy: 1.3264149557498315
Energy: 1.3319781779561288
Energy: 1.2647992107838473
Energy: 1.3444029158010518
Energy: 1.375003325404818
Energy: 1.29948813586714
Energy: 1.2868223667835006
Energy: 1.3802331554404368
Energy: 1.3226146807828707
Energy: 1.266597145636428
Energy: 1.3448353047908692
Energy: 1.3837224337072167
Energy: 1.2563837146280983
Energy: 1.3306886962754751
Energy: 1.3457155595994186
Energy: 1.3136323763318687
Energy: 1.2485680546807902
Energy: 1.365131061190938
Energy: 1.3796938567936003
Energy: 1.237663489271054
Energy: 1.2690430179147953
Energy: 1.3282215806074036
Energy: 1.2881249680265412
Energy: 1.2652864631774505
Energy: 1.2626625629871293
Energy: 1.3206426956365112
Energy: 1.2926625407534051
Energy: 1.2673414250404296
Energy: 1.291514485719149
Energy: 1.2926359222050825
Energy: 1.266329526408648
Energy: 1.3119184938398725
Energy: 1.3376344111242475
Energy: 1.331275677482371
Energy: 1.2772882471103153
Energy: 1.3362594344335563
Energy: 1.3465467140232
Energy: 1.2714216923329087
Energy: 1.3021973590589344
Energy: 1.3058996192659875
Energy: 1.3028980683695488
Energy: 1.3032639797778167
Energy: 1.3524368816658145
Energy: 1.3082103925459474
Energy: 1.3103707659559902
Energy: 1.3028125095262806
Energy: 1.307478376417845
Energy: 1.3422642818421295
Energy: 1.4416380617282594
Energy: 1.332188848051493
Energy: 1.3088466543949029
Energy: 1.4412540314451845
Energy: 1.3392411434039604
Energy: 1.3773178441688525
Energy: 1.332645087504066
Energy: 1.400870118989058
Energy: 1.4274953126337484
Energy: 1.3987050153012446
Energy: 1.401444874110356
Energy: 1.3515488324046283
Energy: 1.3006490571722997
Energy: 1.2868400588489595
Energy: 1.2238891188043508
Energy: 1.3565620072873237
Energy: 1.289187537836157
Energy: 1.2257340358130366
Energy: 1.332703610832632
Energy: 1.3248941636526461
Energy: 1.2455451959681572
Energy: 1.2961174918908185
Energy: 1.3194478651887207
Energy: 1.321510973557179
Energy: 1.221541597571954
Energy: 1.3087765803404536
Energy: 1.3332205637917696
Energy: 1.2818676748475857
Energy: 1.4074139702364232
Energy: 1.4315206641963012
Energy: 1.2825779583981671
Energy: 1.2226792529401092
Energy: 1.4362046734967853
Energy: 1.2925906360970933
Energy: 1.2944177405036692
Energy: 1.286886575386938
Energy: 1.3008598241770195
Energy: 1.2867186970131954
Energy: 1.2863423361855026
Energy: 1.2918935227756767
Energy: 1.2465001124964048
Energy: 1.3046019424644428
Energy: 1.390560411590393
Energy: 1.293254327121234
Energy: 1.312163254103098
Energy: 1.4892706337181172
Energy: 1.292343488922327
Energy: 1.440515715217718
Energy: 1.463382091318078
Energy: 1.3076525137469504
Energy: 1.444648839398635
Energy: 1.4413881854492114
Energy: 1.4920464803474873
Energy: 1.4969204474679374
Energy: 1.29237679512756
Energy: 1.2969271599828696
Energy: 1.2797114368819207
Energy: 1.2894129512993169
Energy: 1.2970890995795528
Energy: 1.2944675365118705
Energy: 1.292301276948177
Energy: 1.2936999264059108
Energy: 1.304310443175916
Energy: 1.2132216568022993
Energy: 1.3012374067409533
Energy: 1.2876352555955042
Energy: 1.2113719765230753
Energy: 1.3103821535588351
Energy: 1.3056474048154683
Energy: 1.2565673023642694
Energy: 1.2381158432108792
Energy: 1.291149914053325
Energy: 1.3139537057074957
Energy: 1.2489420520741392
Energy: 1.2907182238906283
Energy: 1.3185612453910915
Energy: 1.256952964334953
Energy: 1.2172798259188877
Energy: 1.3371353229759777
Energy: 1.3108311117635765
Energy: 1.213267934349367
Energy: 1.2748525005191627
Energy: 1.3124228864376906
Energy: 1.3201435964952255
Energy: 1.2115448030125975
Energy: 1.3085416555442795
Energy: 1.296500913744917
Energy: 1.2217862002977637
Energy: 1.3046540085863934
Energy: 1.3374761426000445
Energy: 1.3135469983095045
Energy: 1.2684261962115284
Energy: 1.3405711575619137
Energy: 1.3463358241430896
Energy: 1.2659872785126807
Energy: 1.3164615731277793
Energy: 1.2954993652185864
Energy: 1.3197971362309708
Energy: 1.3277405254312868
Energy: 1.3022661725312357
Energy: 1.315246839909812
Energy: 1.327581565079392
Energy: 1.3674048276155677
Energy: 1.3089326933289984
Energy: 1.334527094024611
Energy: 1.433223485376448
Energy: 1.3423752196475842
Energy: 1.3877190944972855
Energy: 1.4363450514661313
Energy: 1.3395048938636218
Energy: 1.3827043787431559
Energy: 1.3444364919863094
Energy: 1.3857379321464642
Energy: 1.3370262413563472
Energy: 1.3942154964768398
Energy: 1.386013294541505
Energy: 1.3434544421193788
Energy: 1.2993588065368904
Energy: 1.2974655317030952
Energy: 1.2522437570945135
Energy: 1.3125153770496605
Energy: 1.3000906863213997
Energy: 1.2519573470989012
Energy: 1.314829767687802
Energy: 1.3886368660727884
Energy: 1.2716500948853764
Energy: 1.2777923220603131
Energy: 1.343085060938163
Energy: 1.3667677610892093
Energy: 1.2796980521056542
Energy: 1.4525261015696325
Energy: 1.3803791477754288
Energy: 1.2818027033389294
Energy: 1.47283612913835
Energy: 1.4547300688428386
Energy: 1.282753528985847
Energy: 1.2269075813893813
Energy: 1.506392929615712
Energy: 1.3744956300680435
Energy: 1.3009341541518928
Energy: 1.274791239509605
Energy: 1.3802510249499151
Energy: 1.2678605029251167
Energy: 1.2763725764357894
Energy: 1.3838735894814067
Energy: 1.3110016928810466
Energy: 1.3074802618173118
Energy: 1.4306577886328646
Energy: 1.327758725410886
Energy: 1.3403018332571828
Energy: 1.4172737467470669
Energy: 1.3449398673905106

minimum gb energy = 1.2113719765230753 eV
minimum distance =  2.23609131263828 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.6677973874725607
Energy: 1.1958149005886929
Energy: 1.124651760611169
Energy: 1.2735858908775783
Energy: 1.196002088379568
Energy: 1.2065830486107483
Energy: 1.1957857046567613
Energy: 1.2696638168517478
Energy: 1.2103580691219533
Energy: 1.1891081989769217
Energy: 1.2613259913852648
Energy: 1.2300775911199422
Energy: 1.1898229325840088
Energy: 1.2256307408451033
Energy: 1.2198747317363412
Energy: 1.1655574344977526
Energy: 1.1657907596832244
Energy: 1.2063650788511753
Energy: 1.2144039606128685
Energy: 1.1657626362919096
Energy: 1.2300859155041224
Energy: 1.2571695126750682
Energy: 1.1965766311893693
Energy: 1.110777605464904
Energy: 1.2316538097205234
Energy: 1.2186804546261714
Energy: 1.1112742713556443
Energy: 1.2501949371910146
Energy: 1.1439302524760362
Energy: 1.1398348442260526
Energy: 1.166260229390309
Energy: 1.1523512977925066
Energy: 1.1477904537137544
Energy: 1.1103683507887707
Energy: 1.1751656933616506
Energy: 1.1216910290543987
Energy: 1.1698852466513123
Energy: 1.1730178518725076
Energy: 1.1369355920325426
Energy: 1.1698725642750745
Energy: 1.1367330617714775
Energy: 1.166918337767526
Energy: 1.1175939313241348
Energy: 1.1318561533433573
Energy: 1.0980481809353368
Energy: 1.1743207282397774
Energy: 1.13182816672273
Energy: 1.1751567520617867
Energy: 1.1328468258048952
Energy: 1.111410719162269
Energy: 1.1320372635207967
Energy: 1.1744012675039037
Energy: 1.1369964108025656
Energy: 1.1316719554328114
Energy: 1.184521629595223
Energy: 1.144060026880582
Energy: 1.0676468815267348
Energy: 1.0932923583676637
Energy: 1.1623305568722484
Energy: 1.1086683787959575
Energy: 1.0818408482554738
Energy: 1.178541360049501
Energy: 1.108083239888717
Energy: 1.0883703879743398
Energy: 1.0818456720057283
Energy: 1.1658102454093144
Energy: 1.1216888555087525
Energy: 1.0785974820387818
Energy: 1.1625967614443589
Energy: 1.10970887758701
Energy: 1.1178224515800577
Energy: 1.1151551575885783
Energy: 1.1609475515023184
Energy: 1.1396497776258923
Energy: 1.1161686153401216
Energy: 1.1548883210337981
Energy: 1.126584656850415
Energy: 1.130951375089352
Energy: 1.1628882372671918
Energy: 1.1460334164603616
Energy: 1.1254671999079748
Energy: 1.1543467821405735
Energy: 1.1373313075080764
Energy: 1.135735726053972
Energy: 1.1087531626934222
Energy: 1.1680559169077438
Energy: 1.0790799341795823
Energy: 1.0994496102598257
Energy: 1.1648623405157492
Energy: 1.085107243877491
Energy: 1.1083133076380511
Energy: 1.1311951705924637
Energy: 1.1765597863035722
Energy: 1.068773463581845
Energy: 1.1127360903891805
Energy: 1.1440037103735767
Energy: 1.0682404906030265
Energy: 1.0978599169834113
Energy: 1.1327206520433133
Energy: 1.1708603159557387
Energy: 1.1096550464600372
Energy: 1.1078685831090511
Energy: 1.1590317071118563
Energy: 1.1321099507058148
Energy: 1.1370970791785333
Energy: 1.320148104671356
Energy: 1.1733703097540158
Energy: 1.1320854140363468
Energy: 1.1634169901308309
Energy: 1.15537656124754
Energy: 1.1319075497905777
Energy: 1.1563639933284908
Energy: 1.1635623917265092
Energy: 1.1522564839762626
Energy: 1.1110588877931538
Energy: 1.1544487316771366
Energy: 1.1898758338565836
Energy: 1.1323478010804184
Energy: 1.1706505773520166
Energy: 1.1896758015852675
Energy: 1.1649842360213603
Energy: 1.1487179621862058
Energy: 1.1701463150682037
Energy: 1.1661558886141135
Energy: 1.148854315133747
Energy: 1.1527006391093277
Energy: 1.165228012315401
Energy: 1.111233777093916
Energy: 1.2132111425025867
Energy: 1.1887327751776733
Energy: 1.1104792144796138
Energy: 1.1344770176113248
Energy: 1.211853302950208
Energy: 1.1893555836820364
Energy: 1.1652842278764797
Energy: 1.2261549731790031
Energy: 1.2399036566847872
Energy: 1.164754804836683
Energy: 1.1688232698420153
Energy: 1.240442026517611
Energy: 1.1923054954076202
Energy: 1.196813918554797
Energy: 1.208370926559714
Energy: 1.2438839882066952
Energy: 1.190821670898125
Energy: 1.1814099784933054
Energy: 1.2448822799633987
Energy: 1.2632523767260468
Energy: 1.1714905315748467
Energy: 1.2340069307963502
Energy: 1.2412752154866562
Energy: 1.1836361876409107
Energy: 1.1879082813521227
Energy: 1.2621670865846828
Energy: 1.2540339233557003
Energy: 1.2158692896985928
Energy: 1.2582412071187912
Energy: 1.24132099933045
Energy: 1.210586073316113
Energy: 1.1104889180493156
Energy: 1.2582355543440784
Energy: 1.2581146527353357
Energy: 1.1937686629251296
Energy: 1.2096002934402141
Energy: 1.2429059054562583
Energy: 1.2115732490198812
Energy: 1.189701714868052
Energy: 1.2447742850362036
Energy: 1.2693718534664251
Energy: 1.2097703551034125
Energy: 1.2352345934020927
Energy: 1.2382762569861152
Energy: 1.258272868382369
Energy: 1.1904687358634722
Energy: 1.225541452203502

minimum gb energy = 1.0676468815267348 eV
minimum distance =  2.23851197392849 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 1.6630003224364922
Energy: 0.9898131116796631
Energy: 1.0686199874231834
Energy: 1.1813625305400177
Energy: 1.1813813051900184
Energy: 1.109142279015193
Energy: 0.9883639116321796
Energy: 1.1467815397402727
Energy: 1.0507849133292475
Energy: 1.0715842232245727
Energy: 1.068371663619563
Energy: 1.057777286613901
Energy: 1.062739468100412
Energy: 1.0541334692877553
Energy: 1.0975536684530662
Energy: 1.0234395008673005
Energy: 1.0721850810291362
Energy: 1.0564177419621135
Energy: 1.0363517129768083
Energy: 1.0577007939417615
Energy: 1.0761129709516304
Energy: 1.0057969564763738
Energy: 1.0186942216627324
Energy: 1.0172645839642755
Energy: 0.9986831347212052
Energy: 0.9920628578903632
Energy: 1.0171653916929482
Energy: 1.0761720351194273
Energy: 0.954990617871868
Energy: 1.0067760606414662
Energy: 1.0611506901303398
Energy: 1.026666723780438
Energy: 1.001277503626799
Energy: 1.0195248983004592
Energy: 1.0653344488372922
Energy: 1.0152796901108323
Energy: 1.0044492983946205
Energy: 1.0360860817828321
Energy: 1.0267852657678394
Energy: 1.0000750583452667
Energy: 1.0281413974538192
Energy: 1.0383458778181842
Energy: 1.0184933221664518
Energy: 1.1193121929944596
Energy: 1.0027470980987518
Energy: 1.0094086588272535
Energy: 1.000948828751413
Energy: 1.0206000734327971
Energy: 1.0221746415574668
Energy: 1.0187449317468784
Energy: 1.1386115922301632
Energy: 1.0324222512273913
Energy: 0.9953506617787208
Energy: 1.0224204952290485
Energy: 1.0210519654204393
Energy: 1.002895610436598
Energy: 0.9957729491298959
Energy: 0.9856748340763728
Energy: 1.004854274824251
Energy: 0.9807549874178425
Energy: 0.9883621466960055
Energy: 1.0028776934073633
Energy: 0.9810514343643321
Energy: 0.9590911000782618
Energy: 0.9809324423010055
Energy: 0.9730758762300254
Energy: 0.9757757213336296
Energy: 0.9829040348512198
Energy: 1.0152382699704825
Energy: 0.9790609317729504
Energy: 0.9840123854217766
Energy: 1.0166886586214554
Energy: 1.0211491778772142
Energy: 0.9828044580791044
Energy: 0.9829264683824455
Energy: 1.0255012222486384
Energy: 0.9627669307547273
Energy: 0.9892862047348251
Energy: 0.9801202727465916
Energy: 0.9662071507709639
Energy: 0.9654100518806134
Energy: 0.9872974263610272
Energy: 0.9652941799185201
Energy: 0.9659871422768795
Energy: 0.9770952172680125
Energy: 0.9978886728160429
Energy: 0.9370230030055025
Energy: 0.9595861964356023
Energy: 1.009727773328769
Energy: 0.9401392950893379
Energy: 0.9584245172398382
Energy: 0.9775045019334655
Energy: 0.9536533257088897
Energy: 0.9374245032110842
Energy: 0.9600060266199493
Energy: 1.0064223602895885
Energy: 0.9275077649442519
Energy: 0.9604182902132016
Energy: 0.9915790596656536
Energy: 0.9572417660596374
Energy: 0.9465485996860831
Energy: 0.9587024154569466
Energy: 0.9458291924514526
Energy: 0.9506981068986975
Energy: 0.9602002035132614
Energy: 0.9305755696451619
Energy: 0.9340776351866941
Energy: 0.9504728222995191
Energy: 0.9598260536938247
Energy: 0.943323788018899
Energy: 0.9481361590609139
Energy: 0.9622851961653519
Energy: 0.934306644488783
Energy: 0.9410195155066151
Energy: 0.9510005255652132
Energy: 0.9568632205987812
Energy: 0.9423819892075127
Energy: 0.9537209903241485
Energy: 0.951930453364837
Energy: 0.9702536546396412
Energy: 0.9487181257631229
Energy: 0.9759192254118502
Energy: 0.9609953826634192
Energy: 0.9442275623311298
Energy: 0.9629587514497532
Energy: 0.9706268005728349
Energy: 0.9998725955269251
Energy: 0.9551493613997067
Energy: 0.9644671591440598
Energy: 0.9539083717609307
Energy: 0.9418296731612085
Energy: 0.963464875406042
Energy: 0.954570841204558
Energy: 0.9217192758616213
Energy: 0.918053774864561
Energy: 0.9740462840150549
Energy: 0.9363792347517524
Energy: 0.9121524923423151
Energy: 0.9714570213010323
Energy: 0.9340071677783841
Energy: 0.9499415766172397
Energy: 0.9553706434329514
Energy: 0.9624129393056445
Energy: 0.9435299063851506
Energy: 0.96118199244736
Energy: 0.959662020294514
Energy: 0.9454903680961494
Energy: 0.9620735106224466
Energy: 0.964620132770867
Energy: 0.9641564986957424
Energy: 0.9442231513465967
Energy: 0.9607651341276863
Energy: 0.9628438050375957
Energy: 0.9460995727815212
Energy: 0.9509334367391384
Energy: 0.9670746731841562
Energy: 0.9087369926027037
Energy: 0.9370689134235527
Energy: 0.9697903450314921
Energy: 0.9125085907599177
Energy: 0.932908252316786
Energy: 0.9724263687361534
Energy: 0.9962500840539308
Energy: 0.9513737363118954
Energy: 0.9538327107682516
Energy: 0.9619062894984667
Energy: 0.9422905823374549
Energy: 0.9591373064959067
Energy: 0.9834702616894047
Energy: 0.9576057760950958
Energy: 0.9470251347254282
Energy: 0.9644021940286127
Energy: 0.9757238293126238
Energy: 0.9461693046478533
Energy: 0.9568474007323062
Energy: 0.962900754082822
Energy: 0.9428803459853816
Energy: 0.9445815311181754
Energy: 0.9529343514900572
Energy: 0.9501376006920331
Energy: 0.944457021346094
Energy: 0.9512615937604981
Energy: 0.9542591142465809
Energy: 0.9403416092304332
Energy: 0.9322534157749266
Energy: 0.961277934705997
Energy: 0.9512265053812857
Energy: 0.9278473629343169
Energy: 0.9513169223296801
Energy: 0.9677049237851805
Energy: 0.9494638279636133
Energy: 0.943311880878242
Energy: 0.9793795686628889
Energy: 0.9454280197338408
Energy: 0.9521431667481854
Energy: 0.9779632503544365
Energy: 0.9439329476729904
Energy: 0.9409744540828292
Energy: 1.0063106544689921
Energy: 0.9579770259506704
Energy: 0.9413015108447053
Energy: 1.0119345016096835
Energy: 0.9605726083292865
Energy: 0.9515299184887652
Energy: 0.9428847502821712
Energy: 1.0003861226009532
Energy: 0.9581906485649689
Energy: 0.9391973926196071
Energy: 0.9978603687398029
Energy: 0.9631535350885685
Energy: 1.0012384039697608
Energy: 0.9602811861390097
Energy: 0.9825161127291397
Energy: 0.9650592137191408
Energy: 0.9662736457709212
Energy: 0.9868707216632551
Energy: 0.9669384126317124
Energy: 0.9811298772676333
Energy: 1.0142104208239564
Energy: 0.9831914002172909
Energy: 0.9744562611069338
Energy: 1.0202526639289557
Energy: 0.9967295640134916
Energy: 0.9923340319317376
Energy: 0.9772931838369199
Energy: 1.015177330931447
Energy: 0.9748412889333006
Energy: 0.9943389630523851
Energy: 1.014213198347802
Energy: 0.9810808827570059
Energy: 0.9974864392534164
Energy: 1.0043582424218773
Energy: 1.0055448899447275
Energy: 0.9961913177409177
Energy: 0.9808421533925292
Energy: 1.003032989898141
Energy: 0.9915898337277042
Energy: 0.9822416478404511
Energy: 1.0221378088688051
Energy: 1.0336666036080333
Energy: 1.0219282147216668
Energy: 1.0038245980247555
Energy: 0.9975421545478856
Energy: 1.0223277751254598
Energy: 0.9845606232042118
Energy: 0.9905587209506094
Energy: 1.0173979850402202
Energy: 1.0006319279778215
Energy: 0.9675796470125954
Energy: 1.0609098014312104
Energy: 1.002355013028819
Energy: 1.014829632304193
Energy: 1.0528968397768956
Energy: 1.0203708183554758
Energy: 1.0010673876293283
Energy: 1.0250025913699288
Energy: 1.0315044114639764
Energy: 1.009090411324517
Energy: 1.0263917541733414
Energy: 1.104389792661646
Energy: 1.0185309420976174
Energy: 1.0235449521084723
Energy: 1.0274575144673552
Energy: 1.0148169276915424
Energy: 1.0119600759576208
Energy: 1.0631644605508335
Energy: 1.1002617473112457
Energy: 1.135144298053436
Energy: 1.1525637599861986
Energy: 1.0355729587724851
Energy: 1.0162389855569685
Energy: 1.0100735287470202
Energy: 0.9773011263942321
Energy: 1.1011976804754293
Energy: 1.058727909423127
Energy: 1.0385081875900308
Energy: 1.0955802194260849
Energy: 1.0697389828375483
Energy: 1.0231513450574674
Energy: 1.0497327326934625
Energy: 1.0552469456600955
Energy: 1.0574063931159192
Energy: 1.1249309110128984
Energy: 1.0536020385076152
Energy: 1.0401485736769838
Energy: 1.044955821692735
Energy: 1.1398886541312825
Energy: 0.9943612561478143
Energy: 1.097817315799608
Energy: 1.0761786504031887
Energy: 0.9940161124171152
Energy: 0.9922860296232809
Energy: 1.0746649177481502
Energy: 1.136595780885281
Energy: 1.0985080460750436
Energy: 1.05649352266446
Energy: 1.0721732155001202
Energy: 1.0665556257693543
Energy: 1.0734298274832315
Energy: 1.0589542883701746
Energy: 1.0735815396083779
Energy: 1.1118254253992497
Energy: 1.0578504697808895
Energy: 1.073420416807744
Energy: 1.0630996549944167
Energy: 1.0584294842090651
Energy: 1.0617656223136518
Energy: 1.0692898506367596
Energy: 1.1474629448562952
Energy: 0.9920810927264367
Energy: 0.9936002784525205
Energy: 1.0736457121999992
Energy: 1.0768329162801384
Energy: 1.0091576266143814
Energy: 1.0016084078090748

minimum gb energy = 0.9087369926027037 eV
minimum distance =  2.2368326981551 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 1.2032534200334117
Energy: 1.2877098069589028
Energy: 1.2226016326463962
Energy: 1.2062280333331612
Energy: 1.2057862982993643
Energy: 1.2073813614433566
Energy: 1.2228524590604077
Energy: 0.9845038364194858
Energy: 0.3679777013864325
Energy: 0.367007797674398
Energy: 0.3668322192320756
Energy: 0.3667779193026315
Energy: 0.3669048545844244
Energy: 0.36741412403025037
Energy: 0.3823052912425045
Energy: 0.3681340102813193
Energy: 0.36744167084722096
Energy: 0.36696553825644673
Energy: 0.36726609996661347
Energy: 0.36700355793945055
Energy: 0.36773310559414263
Energy: 1.1507808736921001
Energy: 1.1827102815747208
Energy: 1.165518236038794
Energy: 1.1525581932440627
Energy: 1.152079063746581
Energy: 1.161944345183709
Energy: 1.1909409380050462
Energy: 1.1937544651923042
Energy: 1.1824717338399706
Energy: 1.1824848469621023
Energy: 1.1825262571749986
Energy: 1.2242345463489526
Energy: 1.1831845657309954
Energy: 1.182689138483928
Energy: 0.38312284121311685
Energy: 0.36792664798986174
Energy: 0.36744949545420574
Energy: 0.3672346400477249
Energy: 0.3668780019779429
Energy: 0.3670303514092782
Energy: 0.3671748625217934
Energy: 1.1936145134244958
Energy: 1.1824935893183364
Energy: 1.1903008668439645
Energy: 1.1534231653243356
Energy: 1.1627816290380824
Energy: 1.1992462906151182
Energy: 1.182429771624519
Energy: 1.1497258046026888
Energy: 1.1829684431713874
Energy: 1.2009323696059944
Energy: 1.163797189462988
Energy: 1.15281279843921
Energy: 1.1604435430310232
Energy: 1.182872501967935
Energy: 0.38266190191057503
Energy: 0.3675041070877215
Energy: 0.367195894758602
Energy: 0.3671234967367598
Energy: 0.36725408303890233
Energy: 0.3673949274864919
Energy: 0.36783407021222253
Energy: 1.193360491758419
Energy: 1.1829120657624062
Energy: 1.1827061988040994
Energy: 1.1835406410693718
Energy: 1.1830594139837132
Energy: 1.1826323994079007
Energy: 1.182882034060235
Energy: 1.1509904531396271
Energy: 1.1836788251452457
Energy: 1.1646731751607207
Energy: 1.1521228893011086
Energy: 1.1523050278827198
Energy: 1.1519812703752705
Energy: 1.1662316856533792
Energy: 0.382085015683156
Energy: 0.367741602020576
Energy: 0.36737974252080097
Energy: 0.3669182391771554
Energy: 0.36686241122895336
Energy: 0.36719619651084273
Energy: 0.3675672848290505
Energy: 0.3821131725623667
Energy: 0.3681945428149368
Energy: 0.3672092980437442
Energy: 0.3671357804822481
Energy: 0.36681879158960784
Energy: 0.3670872460716076
Energy: 0.36725246662784355
Energy: 1.150552441799865
Energy: 1.1837692359660212
Energy: 1.1645981030437422
Energy: 1.1550726830101605
Energy: 1.1528433531499813
Energy: 1.1529039135797579
Energy: 1.16553438738384
Energy: 1.1510857875625888
Energy: 1.1831004630135846
Energy: 1.1824460838814956
Energy: 0.36670719969687293
Energy: 0.36630834826042374
Energy: 0.36715367615661776
Energy: 1.1827786957374813
Energy: 0.3826410179183393
Energy: 0.367953269265403
Energy: 0.3674461802115495
Energy: 0.3674335368857063
Energy: 0.3671514677665896
Energy: 0.3670221139273989
Energy: 0.3674768797959653
Energy: 1.1505465164229296
Energy: 1.182651978669979
Energy: 1.1648755303409517
Energy: 1.1531018015908103
Energy: 1.1520689095870627
Energy: 1.1653133020863427
Energy: 1.1928666529093994
Energy: 1.1932077718511054
Energy: 1.1828266761607455
Energy: 1.1829848319071568
Energy: 1.2252116546226473
Energy: 1.222956072763187
Energy: 1.1827188277325316
Energy: 1.1823950729162795
Energy: 0.3835602436277977
Energy: 0.3674870473454106
Energy: 0.36705474901501495
Energy: 0.3669724236044006
Energy: 0.3669406519802292
Energy: 0.3669224389912708
Energy: 0.36701399228929527
Energy: 1.193893182799519
Energy: 1.1832036654649662
Energy: 1.1829636641730175
Energy: 1.2188129967929984
Energy: 1.162628698574323
Energy: 1.2009812499731485
Energy: 1.1825504431751255

minimum gb energy = 0.36630834826042374 eV
minimum distance =  2.2905934451547 Angstroms
sigma value = 23