Model name: model_name=EAM_Dynamo_MendelevSrolovitzAckland_2005_AlFe__MO_577453891941_005
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=2.855312585830688
cohesive_energy=4.013297914458148
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=[1.28468931220656e-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, -1.0020108799634038e-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: 0.012404571020081571
Energy: 0.21472368282530688
Energy: 0.21417564077308035
Energy: 0.2142541376333887
Energy: 0.21551192209814016
Energy: 0.012481547169682139
Energy: 0.2147236828258096
Energy: 0.9399692591073036
Energy: 0.9405662881142722
Energy: 0.21418315410092598
Energy: 0.9400757108748524
Energy: 0.21419341364854305
Energy: 0.2141754437060542
Energy: 0.9405662881137974
Energy: 0.94047332058277
Energy: 0.01299963632376339
Energy: 0.21421636975852804
Energy: 0.9405783014094514
Energy: 0.2142541376378012
Energy: 0.2141831513413201
Energy: 0.012999636324266074
Energy: 0.012538573618920607
Energy: 0.21449651112373422
Energy: 0.214285196696238
Energy: 0.21551192209766537
Energy: 0.9400757108792649
Energy: 0.2142163697580533
Energy: 0.21449651112420898
Energy: 0.9400852284910002
Energy: 0.21422401349325781
Energy: 0.012481547170156896
Energy: 0.21419341364904576
Energy: 0.9405783014089487
Energy: 0.2142851967807451
Energy: 0.21422401373203362
Energy: 0.012538088931954353

minimum gb energy = 0.012404571020081571 eV
minimum distance =  2.47149863632181 Angstroms
sigma value = 1


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

Energy: 1.8327239408420648
Energy: 1.250486736875523
Energy: 1.3349922857329035
Energy: 1.2410470142212617
Energy: 1.2491909417244114
Energy: 1.2731526760116842
Energy: 1.2164212832624952
Energy: 1.3287215008353586
Energy: 1.2124504555162647
Energy: 1.213933607524665
Energy: 1.2113057121859359
Energy: 1.212885480621886
Energy: 1.1459472761087093
Energy: 1.2090024041712082
Energy: 1.2120997211421105
Energy: 1.2760031583473606
Energy: 1.2065956208108066
Energy: 1.2229480429025406
Energy: 1.2082835141969779
Energy: 1.210525785699245
Energy: 1.3007915429955903
Energy: 1.4209645293777204
Energy: 1.2062492734538983
Energy: 1.2152395307031931
Energy: 1.250975405123881
Energy: 1.2377074435359916
Energy: 1.3200423170638251
Energy: 1.2169305875726386
Energy: 1.3096252516924318
Energy: 1.2888302735448152
Energy: 1.2595704004129467
Energy: 1.3022299020200534
Energy: 1.3816263462772633
Energy: 1.2158702145146485
Energy: 1.299555827770984
Energy: 1.2990922582624145
Energy: 1.287912562041766
Energy: 1.301090635017708
Energy: 1.299060024005149
Energy: 1.332648203782041
Energy: 1.3001535858408997
Energy: 1.3015172941428288
Energy: 1.1662043139388931
Energy: 1.1659565642580865
Energy: 1.214735006863118
Energy: 1.1418584781997152
Energy: 1.382684908700768
Energy: 1.1680841681516854
Energy: 1.127219563400579
Energy: 1.3022952001450334
Energy: 1.3022503722656924
Energy: 1.21406677255688
Energy: 1.3000756527184172
Energy: 1.3049485612418597
Energy: 1.1319697664861745
Energy: 1.3042294778908738
Energy: 1.3533333088671307
Energy: 1.2159026014880938
Energy: 1.3000972029968603
Energy: 1.3142028214405375
Energy: 1.2518529895583126
Energy: 1.168995744093368
Energy: 1.214594378332663
Energy: 1.2364912529247785
Energy: 1.2176772345892577
Energy: 1.1662594435972062
Energy: 1.2073745973549177
Energy: 1.2262190395937798
Energy: 1.2793320553219831
Energy: 1.1272193156826338
Energy: 1.2109193769109272
Energy: 1.2089594536599184
Energy: 1.2134532644353535
Energy: 1.2099810913300302
Energy: 1.2654306416810452
Energy: 1.338596126480797
Energy: 1.2162503569844667
Energy: 1.281023421284448
Energy: 1.2170751016382213
Energy: 1.3168273187332349
Energy: 1.2186755133723555
Energy: 1.143659152644052
Energy: 1.2157672947479126
Energy: 1.3131916765963014
Energy: 1.1403876287082957
Energy: 1.2067042647250588
Energy: 1.2102402730538926
Energy: 1.215767192526744
Energy: 1.2075756047562398
Energy: 1.299508753367826
Energy: 1.141238939344168
Energy: 1.2123224795280914
Energy: 1.2134441190321228
Energy: 1.2091453724054955
Energy: 1.20728471055361
Energy: 1.3142241122153768
Energy: 1.2131992680569215
Energy: 1.2180744619562613
Energy: 1.258983344697646
Energy: 1.2572575182951944
Energy: 1.30387418055634
Energy: 1.229010637420967
Energy: 1.2123179630713952
Energy: 1.3018744109773819
Energy: 1.3041003854594841
Energy: 1.299807282629058
Energy: 1.303377504081112
Energy: 1.3844342574527684
Energy: 1.2161326381923336
Energy: 1.3041385189813357
Energy: 1.3715044847908624
Energy: 1.2615135911465625
Energy: 1.3062776155702387
Energy: 1.334223742815387
Energy: 1.2355293450820592
Energy: 1.2995800466291119
Energy: 1.2568685689171037
Energy: 1.2537610659915166
Energy: 1.2996532631800004
Energy: 1.379206060809914
Energy: 1.2131650245162202
Energy: 1.2993725271694274
Energy: 1.315432486457837
Energy: 1.3156991572111134
Energy: 1.3017538854734485
Energy: 1.3013646846377158
Energy: 1.14366875976012
Energy: 1.2985127390429523
Energy: 1.3000178398081874
Energy: 1.1303226853818231
Energy: 1.3051673613250188
Energy: 1.221902677089548
Energy: 1.1280444322241732
Energy: 1.33171368356986
Energy: 1.2988104071003281
Energy: 1.2116242665798287
Energy: 1.2102998047548459
Energy: 1.3443449956940436

minimum gb energy = 1.1272193156826338 eV
minimum distance =  2.19775458913111 Angstroms
sigma value = 33


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

Energy: 2.34469884127241
Energy: 1.228599041105714
Energy: 1.2193113207463853
Energy: 1.2621572371887777
Energy: 1.2781546931796053
Energy: 1.3692033052530836
Energy: 1.3842335336259264
Energy: 1.5099876084192005
Energy: 1.2349667045793702
Energy: 1.2414478388719636
Energy: 1.2309488038479603
Energy: 1.3338360267490328
Energy: 1.3841786226549364
Energy: 1.3115269434305492
Energy: 1.3075076101617695
Energy: 1.2591580322914737
Energy: 1.3085936102915263
Energy: 1.3964777545825426
Energy: 1.3198119206483023
Energy: 1.3170109468846865
Energy: 1.3111329606893236
Energy: 1.4638123610119131
Energy: 1.3103065970249992
Energy: 1.3125565014820566
Energy: 1.3669053007001157
Energy: 1.311258934431345
Energy: 1.3480455049928735
Energy: 1.4304173548282142
Energy: 1.5225040376125816
Energy: 1.3605986924039488
Energy: 1.2393971868308153
Energy: 1.3808003051962736
Energy: 1.37696529919897
Energy: 1.2408721439668875
Energy: 1.3775491368291464
Energy: 1.3795867121213303
Energy: 1.240280863405242
Energy: 1.379575595713659
Energy: 1.3777696270853366
Energy: 1.5033103862132065
Energy: 1.3783317794097865
Energy: 1.3787442319454943
Energy: 1.247537512923547
Energy: 1.2311603548647871
Energy: 1.268086569209517
Energy: 1.249491799464782
Energy: 1.3763502451672898
Energy: 1.2298132801329607
Energy: 1.3661098597641217
Energy: 1.3124019858302203
Energy: 1.3148081679544754
Energy: 1.321599923888051
Energy: 1.3140553997176272
Energy: 1.4120719997108893
Energy: 1.1795719467060555
Energy: 1.311608255864593
Energy: 1.3462066996109594
Energy: 1.3458789901998947
Energy: 1.309006828072712
Energy: 1.3510231342002998
Energy: 1.3329961679659705
Energy: 1.2507788618674602
Energy: 1.3088513593022726
Energy: 1.3304341690178678
Energy: 1.3167723759534153
Energy: 1.255891716683339
Energy: 1.2418225080654266
Energy: 1.2286143681351844
Energy: 1.226952672111073
Energy: 1.257491488734134
Energy: 1.2346131749534703
Energy: 1.2334193545298158
Energy: 1.2161110548676153
Energy: 1.2318268001377881
Energy: 1.2329195721103112
Energy: 1.2106565634622228
Energy: 1.226151313738338
Energy: 1.2340763994408264
Energy: 1.2127338437457251
Energy: 1.2987795331951961
Energy: 1.3220005496163572
Energy: 1.3330784418627857
Energy: 1.3223435903490308
Energy: 1.2137944873335855
Energy: 1.2377726424027138
Energy: 1.3611583629557091
Energy: 1.400464222395619
Energy: 1.3956436718677723
Energy: 1.3637526543694638
Energy: 1.362086944662518
Energy: 1.2611027020414545
Energy: 1.3607746313049753
Energy: 1.3723070439525054
Energy: 1.458719892036037
Energy: 1.3603527246753513
Energy: 1.4350973791359627
Energy: 1.296270309236839
Energy: 1.2126355608142638
Energy: 1.462734683553925
Energy: 1.3364414840982812
Energy: 1.4009767954966115
Energy: 1.2992508454935003
Energy: 1.179652466481243
Energy: 1.3598387329583996
Energy: 1.3606981259062312
Energy: 1.4574055148463556
Energy: 1.3599813873101818
Energy: 1.3766460839252728
Energy: 1.1778827683385578
Energy: 1.3609963722945384
Energy: 1.360828179598833
Energy: 1.3844051347617314
Energy: 1.360890414641565
Energy: 1.3604039237699288
Energy: 1.2178880723337757
Energy: 1.2166479016487994
Energy: 1.3393492446347055
Energy: 1.3833367224780044
Energy: 1.5078349184052775
Energy: 1.2204669727156865
Energy: 1.2183351064719485
Energy: 1.2282756530329166
Energy: 1.2753793527121262
Energy: 1.5232182013903914
Energy: 1.24337563597675
Energy: 1.217909934500581
Energy: 1.241016773100101
Energy: 1.226583786772862
Energy: 1.3743113583252777
Energy: 1.281607727887088
Energy: 1.22812967379562
Energy: 1.2742540469465813
Energy: 1.4296902561244844
Energy: 1.5219864621918369
Energy: 1.3097252257738854
Energy: 1.333365812064979
Energy: 1.3074677590784196
Energy: 1.3589511227486388
Energy: 1.2105805068038293
Energy: 1.313415905890492
Energy: 1.3113613505293689
Energy: 1.3237091747291525
Energy: 1.3081365738425725
Energy: 1.3671438893060919
Energy: 1.4301632609714081
Energy: 1.522582358183479
Energy: 1.3062566079801043
Energy: 1.3226074645526262
Energy: 1.3175162736485129
Energy: 1.3580903122738925
Energy: 1.2472465564948423
Energy: 1.3775822155578845
Energy: 1.3793528756490325
Energy: 1.242074452314716
Energy: 1.379905066961232
Energy: 1.2660475208416138
Energy: 1.2972922978377055
Energy: 1.3781128971025094
Energy: 1.3786841854780216
Energy: 1.4535323428080469
Energy: 1.379688167033795
Energy: 1.3776242409077806
Energy: 1.239650226296117
Energy: 1.3793008726247042
Energy: 1.2302760452970316
Energy: 1.2405831064123836
Energy: 1.3785055324722273
Energy: 1.4145506801375343
Energy: 1.327569655896262
Energy: 1.316576999963331
Energy: 1.4420000058271563
Energy: 1.339580237806926
Energy: 1.311417079307472
Energy: 1.4072362142285202
Energy: 1.3446408043913542
Energy: 1.3180922456632207
Energy: 1.3477195548319025
Energy: 1.4256959997454475
Energy: 1.3131807435053124
Energy: 1.4260300618354411
Energy: 1.3327730665337703
Energy: 1.321488427545052
Energy: 1.3600964363351165
Energy: 1.3342192200591962
Energy: 1.307732671007865
Energy: 1.3458692881559322
Energy: 1.4513324468206186
Energy: 1.2324140399043961
Energy: 1.2295759939103006
Energy: 1.2432021658309367
Energy: 1.2278550558816492
Energy: 1.5731403640358386
Energy: 1.3079814889428416
Energy: 1.241980314516041
Energy: 1.2278539883791277
Energy: 1.2161983224634283
Energy: 1.228244743534172
Energy: 1.3129669466216891
Energy: 1.383446423020269
Energy: 1.3111171156578931
Energy: 1.2821151636856065
Energy: 1.2703651698161842
Energy: 1.228225430972903
Energy: 1.3283197210658548
Energy: 1.3470400108680598
Energy: 1.4002865905669297
Energy: 1.3646929974098032
Energy: 1.2380575472660853
Energy: 1.3620020515750755
Energy: 1.4406322722226903
Energy: 1.3429505363319343
Energy: 1.3623237525024599
Energy: 1.3605438327790667
Energy: 1.2633075917332304
Energy: 1.3600091222322805
Energy: 1.3726595689355288
Energy: 1.3333781302959449
Energy: 1.3545961334055663
Energy: 1.212165528455
Energy: 1.3922682060639293
Energy: 1.2998332693522456
Energy: 1.3495442000662436
Energy: 1.3460127545635805
Energy: 1.361574278279872
Energy: 1.3606654900081407
Energy: 1.1795542469673541
Energy: 1.3622400489645616
Energy: 1.4314349589116597
Energy: 1.346786732775865
Energy: 1.3601473368057493
Energy: 1.3604256910948294
Energy: 1.3108441498823975
Energy: 1.3652001322784286
Energy: 1.4626475468494786
Energy: 1.3819278816447242
Energy: 1.3168620053256563
Energy: 1.2205427972602112
Energy: 1.2201337618383532
Energy: 1.2185136122764255
Energy: 1.3227049457791955
Energy: 1.1763019241251014
Energy: 1.228030653903896
Energy: 1.2346282108115558
Energy: 1.2166537718538437
Energy: 1.2280296095929741
Energy: 1.3529650161928748

minimum gb energy = 1.1763019241251014 eV
minimum distance =  2.19542095377349 Angstroms
sigma value = 51


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

Energy: 2.184515294498093
Energy: 1.2902522680420494
Energy: 1.4342492867454282
Energy: 1.3325829974532069
Energy: 1.350687903290109
Energy: 1.3746961131722246
Energy: 1.3528743249920452
Energy: 1.3981978928289396
Energy: 1.289636341393693
Energy: 1.380747886438623
Energy: 1.2978492848384697
Energy: 1.2948368418854943
Energy: 1.3522996953237265
Energy: 1.28855459518701
Energy: 1.2881544972362982
Energy: 1.3273508418031152
Energy: 1.2979862096610866
Energy: 1.2938541015104625
Energy: 1.3333637925105943
Energy: 1.288855329513874
Energy: 1.2887704683821795
Energy: 1.3257887137045081
Energy: 1.2869561252301835
Energy: 1.2907277207844003
Energy: 1.3271387243154629
Energy: 1.2897875323167398
Energy: 1.3177976771511877
Energy: 1.332051820366076
Energy: 1.434987051579452
Energy: 1.3049476069420967
Energy: 1.4143377681076061
Energy: 1.3863150193565412
Energy: 1.3840914519977212
Energy: 1.3750478877825643
Energy: 1.3874914206236424
Energy: 1.386908507592896
Energy: 1.412392782965948
Energy: 1.38897701057559
Energy: 1.3916279131592957
Energy: 1.4689821639731007
Energy: 1.389215734068141
Energy: 1.390191822087985
Energy: 1.4507656909561035
Energy: 1.292894224882789
Energy: 1.3812149697644585
Energy: 1.3581661637862972
Energy: 1.3880851236293437
Energy: 1.2973232467795033
Energy: 1.2000478845029507
Energy: 1.28931984159302
Energy: 1.2881124962712829
Energy: 1.3258858034018663
Energy: 1.2916487335988216
Energy: 1.3637178048611904
Energy: 1.1729077258959484
Energy: 1.2951125117224342
Energy: 1.3817031244259124
Energy: 1.3733524397311774
Energy: 1.2886777988853637
Energy: 1.3643868826230872
Energy: 1.3599554656231
Energy: 1.3232227176064044
Energy: 1.2904343577762571
Energy: 1.3539689443492913
Energy: 1.4135352737129452
Energy: 1.2884218155395628
Energy: 1.376915099081991
Energy: 1.2870365643096158
Energy: 1.2862666400338856
Energy: 1.3902541022929158
Energy: 1.286534610956148
Energy: 1.2868825455987234
Energy: 1.3473115096125121
Energy: 1.296906305242827
Energy: 1.29207133270846
Energy: 1.3894736557889875
Energy: 1.3024548983053263
Energy: 1.286711186267746
Energy: 1.335023413468792
Energy: 1.3182410292520192
Energy: 1.3204748070458339
Energy: 1.4523524096355922
Energy: 1.3202987604757424
Energy: 1.3866485565262106
Energy: 1.4143588910195215
Energy: 1.3878427454826496
Energy: 1.3877823222531291
Energy: 1.52183637054781
Energy: 1.3867141236901632
Energy: 1.3864974970234085
Energy: 1.3416733682349458
Energy: 1.386504248519253
Energy: 1.3864022865766084
Energy: 1.469211480615271
Energy: 1.3880405631285375
Energy: 1.3861659573291352
Energy: 1.3346327489847405
Energy: 1.4123220339771467
Energy: 1.3870246839034297
Energy: 1.4542514207547355
Energy: 1.3215723081024586
Energy: 1.3207661394094847
Energy: 1.1736820225907314
Energy: 1.2902015538906095
Energy: 1.288555789881115
Energy: 1.326191085016648
Energy: 1.2964702249583195
Energy: 1.3633406716379264

minimum gb energy = 1.1729077258959484 eV
minimum distance =  2.20316133300477 Angstroms
sigma value = 19


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

Energy: 2.02149625651894
Energy: 1.3115802775531453
Energy: 1.4425042675573416
Energy: 1.4363163791911209
Energy: 1.313955990196079
Energy: 1.395148416568844
Energy: 1.3821796811228186
Energy: 1.5029672852506506
Energy: 1.3119875293279213
Energy: 1.3552894997716631
Energy: 1.3760753680536035
Energy: 1.497567856946828
Energy: 1.4568045082213732
Energy: 1.4285001982448315
Energy: 1.4860830716307811
Energy: 1.3503886732442894
Energy: 1.4307714817765955
Energy: 1.5075948178280014
Energy: 1.4993509408621521
Energy: 1.4295800293412997
Energy: 1.431471628747672
Energy: 1.5007547700294863
Energy: 1.4333799888062684
Energy: 1.5040313623540047
Energy: 1.5082394753996413
Energy: 1.4469253400552347
Energy: 1.5019889489636766
Energy: 1.3503021222694878
Energy: 1.5417878906203708
Energy: 1.5482274614648281
Energy: 1.49772863813753
Energy: 1.4478764329326286
Energy: 1.5101792387093798
Energy: 1.295507249633828
Energy: 1.486476002093664
Energy: 1.497300626336615
Energy: 1.535649317964326
Energy: 1.4564764465304607
Energy: 1.473614154201804
Energy: 1.47616370270661
Energy: 1.4330881014481471
Energy: 1.5419390810357863
Energy: 1.4538482382971007
Energy: 1.429657475804564
Energy: 1.4946797981604063
Energy: 1.3504058659244071
Energy: 1.4861164745811777
Energy: 1.4595529867730184
Energy: 1.3452094564807706
Energy: 1.375442730683983
Energy: 1.3123985804359644
Energy: 1.351829368341005
Energy: 1.3151517439227505
Energy: 1.4966357271921775
Energy: 1.3548819321462433
Energy: 1.3150544795137915
Energy: 1.3130535983367626
Energy: 1.318372723887962
Energy: 1.3181165607264946
Energy: 1.4343137919390632
Energy: 1.382685473366416
Energy: 1.490606200821204
Energy: 1.3772274278731216
Energy: 1.3609972707380946
Energy: 1.3768214614042438
Energy: 1.4736764987800526
Energy: 1.4567658076529386
Energy: 1.5236828557850386
Energy: 1.4836452991100897
Energy: 1.4984672137896557
Energy: 1.4792220879942193
Energy: 1.5398189822247124
Energy: 1.5790120527943772
Energy: 1.4855690140628857
Energy: 1.511562755161804
Energy: 1.4984573865019648
Energy: 1.4913706512528315
Energy: 1.5488899336257191
Energy: 1.3841518465812244
Energy: 1.4872378161963922
Energy: 1.4308762785166322
Energy: 1.4115184601057882
Energy: 1.4899445156123634
Energy: 1.5001445691280517
Energy: 1.3175909820885774
Energy: 1.3108592430078252
Energy: 1.464388901645212
Energy: 1.4147597782129384
Energy: 1.3774053600236988
Energy: 1.3668014625873481
Energy: 1.3580652688633064
Energy: 1.3124219543740887
Energy: 1.3719336122167656
Energy: 1.299794987208975
Energy: 1.3118932453346845
Energy: 1.3573198546709728
Energy: 1.2957177888080444
Energy: 1.3761021420265775
Energy: 1.4901856310247898
Energy: 1.3828078263980026
Energy: 1.4900086416467702
Energy: 1.3110965660733007
Energy: 1.4678068519458822
Energy: 1.431940414710976
Energy: 1.5069163120193296
Energy: 1.5198095608896915
Energy: 1.4295858752772823
Energy: 1.4306231817188164
Energy: 1.466364423074038
Energy: 1.431442768230222
Energy: 1.4287924892951316
Energy: 1.497174487816759
Energy: 1.4288604563007747
Energy: 1.486869668738941
Energy: 1.3495840733732205
Energy: 1.492911196620294
Energy: 1.449173726570125
Energy: 1.490844130490033
Energy: 1.4907630729636219
Energy: 1.3761067397070423
Energy: 1.3462277730491248
Energy: 1.4864505075474945
Energy: 1.4752166717334907
Energy: 1.4957138481802272
Energy: 1.4308085661704188
Energy: 1.5099498036725576
Energy: 1.2316592228188472
Energy: 1.4312164466250599
Energy: 1.4556477619180046
Energy: 1.5444669146508292
Energy: 1.458821280041984
Energy: 1.4751912419356075
Energy: 1.2954270317248138
Energy: 1.4398140284305398
Energy: 1.5288646925512002
Energy: 1.3836296647445248
Energy: 1.4881881592506272
Energy: 1.3748699089446246
Energy: 1.3552265423560101
Energy: 1.3103515217922561
Energy: 1.4360578217403264
Energy: 1.345472317558077
Energy: 1.3114996460119113
Energy: 1.356119873486183
Energy: 1.3194573407175392
Energy: 1.313252166256621
Energy: 1.3760228903120766
Energy: 1.3455710134389185
Energy: 1.3114580636454598
Energy: 1.3119758248325941
Energy: 1.3735637894934585
Energy: 1.509933319049973
Energy: 1.5260335740037485
Energy: 1.3827998449311212
Energy: 1.4872950931019056
Energy: 1.3759433378184878
Energy: 1.4938185321483282
Energy: 1.479528330511316
Energy: 1.4796939281412351
Energy: 1.4986027463580995
Energy: 1.479924789815594
Energy: 1.4850823631945236
Energy: 1.4558884479376586
Energy: 1.4789005592093145
Energy: 1.4890642822265936
Energy: 1.5818726495278257
Energy: 1.473014237252279
Energy: 1.5074921216494883
Energy: 1.3832994347942047
Energy: 1.489494102083122
Energy: 1.417979470432506
Energy: 1.3839937308975663
Energy: 1.5036301334506375
Energy: 1.428998723635196
Energy: 1.229446183528063
Energy: 1.310870997272454
Energy: 1.31193750853004
Energy: 1.317210475909418
Energy: 1.3115264098226171
Energy: 1.370181071863125

minimum gb energy = 1.229446183528063 eV
minimum distance =  2.18935852878518 Angstroms
sigma value = 27


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

Energy: 1.6517097577968247
Energy: 1.3274459471484308
Energy: 1.504034340492353
Energy: 1.2426699792797582
Energy: 1.4413599837382822
Energy: 1.400820958867958
Energy: 1.2094265035215235
Energy: 1.3984695624805414
Energy: 1.386283826004302
Energy: 1.205376225680527
Energy: 1.3317552109821003
Energy: 1.4007538356061904
Energy: 1.200555037043159
Energy: 1.3521868413414053
Energy: 1.3332606052247087
Energy: 1.2079715921115604
Energy: 1.3361859096901496
Energy: 1.3867251179540108
Energy: 1.2406448967142554
Energy: 1.3290893107070023
Energy: 1.3322580897465233
Energy: 1.3857971974272827
Energy: 1.3330872434584837
Energy: 1.3283237218863801
Energy: 1.2044771246446448
Energy: 1.321451370124289
Energy: 1.3979576125383137
Energy: 1.2100641526607243
Energy: 1.3928115228134055
Energy: 1.3223485031769273
Energy: 1.241102430476483
Energy: 1.3305694927159863
Energy: 1.3944025822438186
Energy: 1.2091734877939255
Energy: 1.3957605050453779
Energy: 1.3279674097637086
Energy: 1.2438491765069173
Energy: 1.4462637204677051
Energy: 1.3737289148949718
Energy: 1.6513745840397158
Energy: 1.3381974873082108
Energy: 1.5018497854303936
Energy: 1.2045944878796506
Energy: 1.3859061014265692
Energy: 1.4692196809124576
Energy: 1.209438115230057
Energy: 1.3969443164188593
Energy: 1.3856126260936632
Energy: 1.2079270096004495
Energy: 1.3332632842848466
Energy: 1.350462319667523
Energy: 1.2103437970119264
Energy: 1.3352101466987139
Energy: 1.3969950145291068
Energy: 1.2023233201043446
Energy: 1.3338749020635479
Energy: 1.3286417945252607
Energy: 1.3887272820776428
Energy: 1.3321822585147616
Energy: 1.3332712913754339
Energy: 1.210437177279163
Energy: 1.3855284565955222
Energy: 1.3221242360297254
Energy: 1.2046147802937264
Energy: 1.4675563325679464
Energy: 1.5631064804837593
Energy: 1.2092580836965052
Energy: 1.3853318502382608
Energy: 1.3277008291303452
Energy: 1.2410745597225883
Energy: 1.3331589036283829
Energy: 1.4741050835058758

minimum gb energy = 1.200555037043159 eV
minimum distance =  2.21918632200801 Angstroms
sigma value = 9


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

Energy: 1.3683184271805255
Energy: 1.315475226126513
Energy: 1.2894185510753002
Energy: 1.3928251744796225
Energy: 1.3174123994819582
Energy: 1.4556083944688631
Energy: 1.3961776164743607
Energy: 1.4585225232707435
Energy: 1.3156408995332833
Energy: 1.316501459359216
Energy: 1.3144822384793733
Energy: 1.389407216014138
Energy: 1.4407663897479677
Energy: 1.5045514900968484
Energy: 1.500921604784378
Energy: 1.3187488169018557
Energy: 1.49556949802072
Energy: 1.5599121022535922
Energy: 1.2473875621726647
Energy: 1.501570641173785
Energy: 1.5024437617929796
Energy: 1.3163050018838875
Energy: 1.4969807505655615
Energy: 1.5018607440513234
Energy: 1.3646494577333774
Energy: 1.5012698223188787
Energy: 1.5020948622499741
Energy: 1.391276774326692
Energy: 1.4949288218217298
Energy: 1.5256114370088854
Energy: 1.359249826060482
Energy: 1.3141417050354522
Energy: 1.5384382693823444
Energy: 1.3940303111502161
Energy: 1.3154480246407365
Energy: 1.3157229727514335
Energy: 1.290294815518117
Energy: 1.3165604836817093
Energy: 1.416401031611929
Energy: 1.468346594907544
Energy: 1.314974913880132
Energy: 1.287776984686326
Energy: 1.2757773626504383
Energy: 1.31515918908834
Energy: 1.5549223262711347
Energy: 1.3932992523952865
Energy: 1.3151421602236235
Energy: 1.2772712098574197
Energy: 1.2905620077220732
Energy: 1.481351075607119
Energy: 1.5388780749022435
Energy: 1.3905179857916763
Energy: 1.4695454766308877
Energy: 1.5112354515375754
Energy: 1.2901771676161826
Energy: 1.4812999806795792
Energy: 1.4684736957855336
Energy: 1.3807317934364909
Energy: 1.4700480706654881
Energy: 1.488786699276784
Energy: 1.394627214209594
Energy: 1.5069281011311606
Energy: 1.4678684858338331
Energy: 1.4874520878044484
Energy: 1.4681577667673464
Energy: 1.4912919383258052
Energy: 1.3921492220399023
Energy: 1.561548902758696
Energy: 1.4194559997064362
Energy: 1.3905877860102267
Energy: 1.417189719412214
Energy: 1.3906722160669445
Energy: 1.359433512465297
Energy: 1.4184956002108138
Energy: 1.4043085549430723
Energy: 1.3381557842214826
Energy: 1.4182443183345672
Energy: 1.508927136195166
Energy: 1.3952529898989587
Energy: 1.4190409860510589
Energy: 1.3888881828674715
Energy: 1.3664467639628066
Energy: 1.417078911354728
Energy: 1.5382510929016326
Energy: 1.3965093584957686
Energy: 1.5923664286907702
Energy: 1.3985036737398673
Energy: 1.339132577528655
Energy: 1.4199817463468765
Energy: 1.514938698809527
Energy: 1.479904436257228
Energy: 1.4178715512354851
Energy: 1.4255370532262333
Energy: 1.3671470260482428
Energy: 1.4169874790227286
Energy: 1.4445707885912344
Energy: 1.3954353433090891
Energy: 1.417794678016762
Energy: 1.4172676431852704
Energy: 1.388966158091834
Energy: 1.4171457761825468
Energy: 1.4432269163372702
Energy: 1.3934661542364655
Energy: 1.4677524058130347
Energy: 1.5370246006229658
Energy: 1.4380395632457323
Energy: 1.4680274640599118
Energy: 1.3188054495836485
Energy: 1.29469060655546
Energy: 1.4898749651828467
Energy: 1.511100362818272
Energy: 1.4116432366216294
Energy: 1.4763044727644061
Energy: 1.5184300296411395
Energy: 1.2912046715702319
Energy: 1.4755978108860897
Energy: 1.4690139208599993
Energy: 1.3920303584879967
Energy: 1.4686921163620594
Energy: 1.4997756828424196
Energy: 1.286736994755703
Energy: 1.2782986767610127
Energy: 1.5601206790936915
Energy: 1.3882545214132211
Energy: 1.536407837832373
Energy: 1.2762147359040328
Energy: 1.2749995098080595
Energy: 1.313847962651761
Energy: 1.3796777086158385
Energy: 1.3848247526753823
Energy: 1.3140665503178148
Energy: 1.275440037544315
Energy: 1.3583295700218823
Energy: 1.3149975156252975
Energy: 1.4702717951123683
Energy: 1.3887262122154316
Energy: 1.3146973013807652
Energy: 1.3138998863951306
Energy: 1.3615269052322443
Energy: 1.50135127694557
Energy: 1.503771515327329
Energy: 1.389299106773942
Energy: 1.5172645828913836
Energy: 1.3164379399030262
Energy: 1.3648862118469982
Energy: 1.5230779326479342
Energy: 1.5016724920396025
Energy: 1.3202163205321318
Energy: 1.5019472804544922
Energy: 1.5556451442247061
Energy: 1.3617762003215794
Energy: 1.5019354043527382
Energy: 1.5040129023301418
Energy: 1.2391020787087264
Energy: 1.501977685522487
Energy: 1.5030098342397327
Energy: 1.4391606488198376
Energy: 1.4920956022735268
Energy: 1.316378702879476
Energy: 1.3626423799826488
Energy: 1.3171152533085375
Energy: 1.391446711756698
Energy: 1.4334897984507353
Energy: 1.3141350505884057
Energy: 1.3150971411688306
Energy: 1.3513235012860878
Energy: 1.316777313901908
Energy: 1.4188487863445431
Energy: 1.394108664488679
Energy: 1.3147872614062441
Energy: 1.3142093558435828
Energy: 1.2717997527639926
Energy: 1.3138761975221416
Energy: 1.4141167486669186
Energy: 1.4372577817011658
Energy: 1.5414400789932796
Energy: 1.3798929200832173
Energy: 1.2893926364862733
Energy: 1.5084485970950023
Energy: 1.6098421143380715
Energy: 1.4873665031852215
Energy: 1.4687613957118621
Energy: 1.4906822078863433
Energy: 1.5262530940368826
Energy: 1.46844967805851
Energy: 1.4682682590136038
Energy: 1.4816775218087512
Energy: 1.4709442396116084
Energy: 1.5249523385563468
Energy: 1.2948393910642246
Energy: 1.481680473102638
Energy: 1.4859094004707132
Energy: 1.4406473030161526
Energy: 1.4173863400732725
Energy: 1.4278486578900766
Energy: 1.3903401818502168
Energy: 1.4747908816739737
Energy: 1.3885370427663593
Energy: 1.3989263923934288
Energy: 1.4169104471591645
Energy: 1.4168352179696764
Energy: 1.387342639816033
Energy: 1.4174636348079184
Energy: 1.4823623360032163
Energy: 1.3712501295699964
Energy: 1.4153059314058656
Energy: 1.416510564117148
Energy: 1.3887487179536693
Energy: 1.4167966501616742
Energy: 1.3927264711674008
Energy: 1.3349039689049254
Energy: 1.484906076546091
Energy: 1.5911600654351898
Energy: 1.3904820192064467
Energy: 1.5819497004631626
Energy: 1.4096290157960962
Energy: 1.3716120009199866
Energy: 1.4158478285239067
Energy: 1.4164867550247442
Energy: 1.390921178584788
Energy: 1.4174967951649384
Energy: 1.4212882609004343
Energy: 1.3514363596432628
Energy: 1.4423220305150604
Energy: 1.4452084679886474
Energy: 1.3772112301670372
Energy: 1.4167885292218134
Energy: 1.4982061474338237
Energy: 1.4379867126553838
Energy: 1.415320023305103
Energy: 1.4563944648193636
Energy: 1.391881949814617
Energy: 1.4679245693729253
Energy: 1.387435150917253
Energy: 1.3620695245281134
Energy: 1.4752102424408473
Energy: 1.5258843563456783
Energy: 1.2943848313981718
Energy: 1.4818737702939393
Energy: 1.4687414704148545
Energy: 1.4437062153861686
Energy: 1.4687183535495445
Energy: 1.4878339351190333
Energy: 1.2898342384175996
Energy: 1.4670701330688078
Energy: 1.4681258918572369
Energy: 1.4377807019749511
Energy: 1.542683837146086
Energy: 1.5102756781937072
Energy: 1.2894914930630665
Energy: 1.50037568452898
Energy: 1.5303397864947053
Energy: 1.391368740844861
Energy: 1.3139721709501226
Energy: 1.3148671892108101
Energy: 1.2708891553084936
Energy: 1.3142828014470358
Energy: 1.6078229575790062

minimum gb energy = 1.2391020787087264 eV
minimum distance =  2.20322393199101 Angstroms
sigma value = 57


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

Energy: 2.368839457070681
Energy: 1.3017079745612605
Energy: 1.1667918890890283
Energy: 1.1681379485480912
Energy: 1.3177862649086318
Energy: 1.4334659503063016
Energy: 1.140952435786724
Energy: 1.4491324522475035
Energy: 1.2937441496998425
Energy: 1.1397376633599094
Energy: 1.2936610912360509
Energy: 1.4157922867027195
Energy: 1.1437919167405655
Energy: 1.3383433958521793
Energy: 1.42743610545262
Energy: 1.1404918287097536
Energy: 1.427343003607043
Energy: 1.2964891978902897
Energy: 1.1461050908141144
Energy: 1.4270767043518102
Energy: 1.428138906081088
Energy: 1.3455221172834915
Energy: 1.4270382028034876
Energy: 1.1349165126288494
Energy: 1.1472218534524787
Energy: 1.3450850591547445
Energy: 1.4345787620126818
Energy: 1.1392623193772147
Energy: 1.4280610706375563
Energy: 1.3451204200202926
Energy: 1.1363502860259664
Energy: 1.292933341706354
Energy: 1.4369687005956777
Energy: 1.1506802439554356
Energy: 1.2955680729190029
Energy: 1.2920022525740076
Energy: 1.1626528446946651
Energy: 1.3242203527417002
Energy: 1.299055659512436
Energy: 1.3386619277639265
Energy: 1.3310490242099702
Energy: 1.1653184918789519
Energy: 1.1665815871703602
Energy: 1.2927349621355972
Energy: 1.4495606401180496
Energy: 1.2963165353171135
Energy: 1.2965620267901488
Energy: 1.2911148666377912
Energy: 1.1643640112341118
Energy: 1.1652531829572537
Energy: 1.4489519452362016
Energy: 1.142154054749985
Energy: 1.435308089924383
Energy: 1.1652536542704435
Energy: 1.1664397112810279
Energy: 1.2983627237909132
Energy: 1.4135209173676497
Energy: 1.4104172319154051
Energy: 1.296460064880767
Energy: 1.1652342186828721
Energy: 1.1418219783217232
Energy: 1.1462880907341637
Energy: 1.4409433168261778
Energy: 1.1416822090802745
Energy: 1.2917360447366837
Energy: 1.1455642075749615
Energy: 1.150602034124142
Energy: 1.4475141853348128
Energy: 1.427503513764673
Energy: 1.1417273313496998
Energy: 1.42781658517795
Energy: 1.293655582114493
Energy: 1.1523952234772727
Energy: 1.4278274920735399
Energy: 1.3442268955143764
Energy: 1.300253730718444
Energy: 1.4447689533071384
Energy: 1.427822821046367
Energy: 1.1492070581913192
Energy: 1.4493890462638448
Energy: 1.3448213438801275
Energy: 1.1446836654456343
Energy: 1.4278148821862033
Energy: 1.3429135605298066
Energy: 1.1453314570531357
Energy: 1.4289424216087907
Energy: 1.2973171976038451
Energy: 1.1474771372918315
Energy: 1.2986906092864592
Energy: 1.2942855196736378
Energy: 1.4271069894869322
Energy: 1.2975849710200993
Energy: 1.299097154573335
Energy: 1.1488162316262658
Energy: 1.297371290788914
Energy: 1.3421868900819847
Energy: 1.4185361773734184
Energy: 1.293595876077215
Energy: 1.29303894022523
Energy: 1.1666935173351245
Energy: 1.2928968653922386
Energy: 1.4162141591063202
Energy: 1.1388000882404408
Energy: 1.4342947273900977
Energy: 1.1655045238485535
Energy: 1.1628806327833967
Energy: 1.2994889770254905
Energy: 1.4141465297359463
Energy: 1.4217747438257329
Energy: 1.294156893453385
Energy: 1.2918392785349146
Energy: 1.165056658242729
Energy: 1.292393895068541
Energy: 1.4340129005901832

minimum gb energy = 1.1349165126288494 eV
minimum distance =  2.18189857184738 Angstroms
sigma value = 11


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

Energy: 1.6001184114902807
Energy: 1.2102967794323338
Energy: 1.0858064870019797
Energy: 1.192864669622583
Energy: 1.196292010889931
Energy: 1.3102185174203773
Energy: 1.465593958735454
Energy: 1.33602022903718
Energy: 1.2529938798661242
Energy: 1.250439363021667
Energy: 1.193725616043887
Energy: 1.3666313420407075
Energy: 1.475195690513793
Energy: 1.3345280407342672
Energy: 1.3380460912493217
Energy: 1.24744544240321
Energy: 1.335001727193133
Energy: 1.3371686418030533
Energy: 1.4648631906184337
Energy: 1.3344970455879475
Energy: 1.3380814812229902
Energy: 1.2518236319477314
Energy: 1.3344246552883043
Energy: 1.359944932174887
Energy: 1.4677063477437722
Energy: 1.3341806365064528
Energy: 1.3354079675569555
Energy: 1.3623963598425515
Energy: 1.3340139054721827
Energy: 1.3603706340487765
Energy: 1.4705284812606048
Energy: 1.3367776794036064
Energy: 1.3358858074793343
Energy: 1.3013287384502765
Energy: 1.3357134485698097
Energy: 1.4015906753806495
Energy: 1.278204157824607
Energy: 1.2482748823670817
Energy: 1.335464407077913
Energy: 1.2455676014742403
Energy: 1.3352794226059488
Energy: 1.246404594399245
Energy: 1.07959859043488
Energy: 1.3358149937583705
Energy: 1.336026290817346
Energy: 1.3359344100498671
Energy: 1.3405114709032326
Energy: 1.2498743460244552
Energy: 1.2788585158601513
Energy: 1.1964487347970367
Energy: 1.3660158467145371
Energy: 1.4106918938755357
Energy: 1.335977757183899
Energy: 1.195176348987178
Energy: 1.268191760533155
Energy: 1.1924414348926782
Energy: 1.1923222829689974
Energy: 1.3837040627749435
Energy: 1.1933310335877878
Energy: 1.196375122681342
Energy: 1.0860664661547088
Energy: 1.192589176073362
Energy: 1.194022351481777
Energy: 1.3362707215567875
Energy: 1.1926446849727694
Energy: 1.191937986862742
Energy: 1.0807687833582291
Energy: 1.1935945195188746
Energy: 1.3666221924529849
Energy: 1.3686199505662981
Energy: 1.3052967689772355
Energy: 1.0850522944132517
Energy: 1.0865348325879132
Energy: 1.1904270045156897
Energy: 1.3402888896339133
Energy: 1.3618937368538824
Energy: 1.1919959917349163
Energy: 1.0842502165157968
Energy: 1.078547856689466
Energy: 1.1952013383007707
Energy: 1.29671940680121
Energy: 1.363620063133456
Energy: 1.2011341057910079
Energy: 1.2498283485892228
Energy: 1.2727297021751627
Energy: 1.1939330206671948
Energy: 1.3664550560473587
Energy: 1.366536211389587
Energy: 1.3383154435482505
Energy: 1.2559584788623617
Energy: 1.2817483729209747
Energy: 1.334659634414343
Energy: 1.3838527601042818
Energy: 1.40419316052828
Energy: 1.3349959492353762
Energy: 1.3363303371058062
Energy: 1.2887632874964747
Energy: 1.33856509994193
Energy: 1.3611667416697935
Energy: 1.3602851402291896
Energy: 1.3348639523238108
Energy: 1.2472503430803794
Energy: 1.4709667231861727
Energy: 1.335285373653445
Energy: 1.335518135159159
Energy: 1.4253396589025156
Energy: 1.3353303234908205
Energy: 1.3364077993103591
Energy: 1.4700039029980994
Energy: 1.3345584404856534
Energy: 1.4012274952293793
Energy: 1.3645857089780158
Energy: 1.3354382480619986
Energy: 1.3844493771765154
Energy: 1.2853344928983188
Energy: 1.3358429453125635
Energy: 1.2472982986748717
Energy: 1.2017975812489274
Energy: 1.3377696309243066
Energy: 1.3357419424449164
Energy: 1.463669160792081
Energy: 1.3437844196677258
Energy: 1.2505331805883808
Energy: 1.0764665543059806
Energy: 1.3340736970968647
Energy: 1.3340629817564598
Energy: 1.4788831961387274
Energy: 1.3393703168448405
Energy: 1.194311477178015
Energy: 1.258146473045151
Energy: 1.1941653695727072
Energy: 1.3653272394192846
Energy: 1.7361063235989507
Energy: 1.1948671103842714
Energy: 1.1952177235084536
Energy: 1.0799248302926825
Energy: 1.1936085102089373
Energy: 1.3367616728996796
Energy: 1.7368468217584472
Energy: 1.191679551753263
Energy: 1.191166876937685
Energy: 1.09318546354496
Energy: 1.1911184387935077
Energy: 1.366773969815977
Energy: 1.4609897016786875
Energy: 1.305163279408123
Energy: 1.0850190032204092
Energy: 1.0819533997918156
Energy: 1.1941165988366043
Energy: 1.3649464251820245
Energy: 2.026892505922248
Energy: 1.192415101306991
Energy: 1.0829531549354359
Energy: 1.0836948512625173
Energy: 1.1918212631444494
Energy: 1.2968667356149923

minimum gb energy = 1.0764665543059806 eV
minimum distance =  2.17273277356014 Angstroms
sigma value = 41


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

Energy: 1.9005258361910173
Energy: 1.0958077597329954
Energy: 1.0059447104967534
Energy: 1.0065867177232966
Energy: 1.0959461000868964
Energy: 1.2577098388697043
Energy: 1.7379788308771138
Energy: 1.2179167019536719
Energy: 1.0993793148074764
Energy: 1.1364375983795383
Energy: 1.0997800898273742
Energy: 1.2484379882573027
Energy: 1.7333473693047212
Energy: 1.2612341969383722
Energy: 1.217131555550263
Energy: 1.1617175110661335
Energy: 1.2161212347303003
Energy: 1.2954687848150286
Energy: 1.7250994473586987
Energy: 1.2162124105766636
Energy: 1.2166106982307243
Energy: 1.1644917649312077
Energy: 1.2155146838687825
Energy: 1.24424421486303
Energy: 1.7268755875913997
Energy: 1.21539186832317
Energy: 1.2152647300143895
Energy: 1.2599843036825056
Energy: 1.2158220106824573
Energy: 1.2434123246180457
Energy: 1.732118287857709
Energy: 1.2525123956645432
Energy: 1.2731750777299025
Energy: 1.260434453671093
Energy: 1.2523846605270108
Energy: 1.253208142978677
Energy: 1.5229333113244303
Energy: 1.2529747631685741
Energy: 1.2525112786842914
Energy: 1.2524514401805413
Energy: 1.2522009627092014
Energy: 1.252079583386291
Energy: 1.295491430100624
Energy: 1.2525196113149952
Energy: 1.2525963241114675
Energy: 1.21669648055411
Energy: 1.2648722619328276
Energy: 1.243112697337417
Energy: 1.512122056460034
Energy: 1.2732460022938883
Energy: 1.252477427200016
Energy: 1.2474163382662158
Energy: 1.252272919582343
Energy: 1.2186489527392768
Energy: 1.5088455703807178
Energy: 1.2599945241725994
Energy: 1.2155845303991952
Energy: 1.251304122487939
Energy: 1.2160476189749763
Energy: 1.2604908583640273
Energy: 1.1561770620091412
Energy: 1.2163990723956257
Energy: 1.215679062408462
Energy: 1.2922586602305908
Energy: 1.2166280476868658
Energy: 1.1474432573047737
Energy: 1.1529911373209676
Energy: 1.1473996652848961
Energy: 1.2480673935840318
Energy: 1.2522408073478215
Energy: 1.216164267677629
Energy: 1.1478343147171404
Energy: 1.143965865259921
Energy: 1.0935152386516027
Energy: 1.2178133939600175
Energy: 1.2514504829925097
Energy: 1.0989452061601919
Energy: 1.093363522251993
Energy: 1.0026536153818175
Energy: 1.09693574977019
Energy: 1.214797717337554
Energy: 1.2150746417779288
Energy: 1.0953895752038547
Energy: 1.0040026211044315
Energy: 1.0046919351073977
Energy: 1.0936370440327743
Energy: 1.2486196271125127
Energy: 1.2725781392764834
Energy: 1.201321023907551
Energy: 1.093333157051637
Energy: 1.0036132149942885
Energy: 1.09382791004897
Energy: 1.2249305663588645
Energy: 1.2483218528454163
Energy: 1.20110155165314
Energy: 1.0055834327442743
Energy: 1.0024492476947806
Energy: 1.0068633181875537
Energy: 1.1773671404719135
Energy: 1.2451892769555406
Energy: 1.09519530935631
Energy: 1.004159712148548
Energy: 1.142660471595407
Energy: 1.1313001068920157
Energy: 1.2248990562675326
Energy: 1.2441560360761743
Energy: 1.0987279644555974
Energy: 1.1304584026550335
Energy: 1.1569765570991466
Energy: 1.2161634512280461
Energy: 1.2475286648522366
Energy: 1.2522480125712077
Energy: 1.2166234656702162
Energy: 1.1619608989166281
Energy: 1.1543397757197198
Energy: 1.2164813693886787
Energy: 1.2157712559923795
Energy: 1.2441120804577952
Energy: 1.2161137577533208
Energy: 1.216754960526706
Energy: 1.5046532677818292
Energy: 1.2160934495796618
Energy: 1.2438741267353004
Energy: 1.243912143710481
Energy: 1.2162787640488408
Energy: 1.216026317846814
Energy: 1.5190971465442171
Energy: 1.216467000503898
Energy: 1.25447779801879
Energy: 1.247679490238349
Energy: 1.2523288209574384
Energy: 1.2162896201475977
Energy: 1.5208785893547483
Energy: 1.2522376651851945
Energy: 1.2528279933761264
Energy: 1.2160704975221694
Energy: 1.2647534154983626
Energy: 1.252351621051078
Energy: 1.5236658361343218
Energy: 1.2525540514451257
Energy: 1.2526828827917347
Energy: 1.2461998920947757
Energy: 1.252457364436057
Energy: 1.2522748863066442
Energy: 1.7327917799127255
Energy: 1.2527930163780159
Energy: 1.2528786615571628
Energy: 1.2605170464807103
Energy: 1.2525451783672366
Energy: 1.2520157660918267
Energy: 1.5341598095608409
Energy: 1.2164735369627644
Energy: 1.2600536349576528
Energy: 1.2605473651065535
Energy: 1.2151148716228646
Energy: 1.2166257857258758
Energy: 1.5010434489794968
Energy: 1.2161588640645822
Energy: 1.1477270567252102
Energy: 1.1625153643872488
Energy: 1.2160917492107046
Energy: 1.215558528897142
Energy: 1.7351293015081426
Energy: 1.2246595248565644
Energy: 1.1475807105407674
Energy: 1.16442012331252
Energy: 1.2152792234474685
Energy: 1.251806040769346
Energy: 1.7372919246301797
Energy: 1.2181226352352161
Energy: 1.0990027350875018
Energy: 1.138157194364129
Energy: 1.1002499799738028
Energy: 1.2482475813970038
Energy: 1.7165763830096021
Energy: 1.0957695818772946
Energy: 1.0945475569217566
Energy: 1.0021779974306086
Energy: 1.0948853905768823
Energy: 1.214895025318696
Energy: 1.7349328539157736
Energy: 1.0997813921112158
Energy: 1.0946668717136285
Energy: 1.0043468558094555
Energy: 1.099257309091064
Energy: 1.2483424664793097
Energy: 1.7354100185299708
Energy: 1.2072898054313814
Energy: 1.0037959241816548
Energy: 1.003431633991647
Energy: 1.1846326819008082
Energy: 1.247979941785447
Energy: 1.7098062265434824
Energy: 1.0938395837245083
Energy: 1.0053816706888428
Energy: 1.0054227890668788
Energy: 1.0942768634731304
Energy: 1.177198284205028

minimum gb energy = 1.0021779974306086 eV
minimum distance =  2.16743851926798 Angstroms
sigma value = 33


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

Energy: 1.8105954993724558
Energy: 0.9609473101619945
Energy: 0.8970541450308116
Energy: 1.0343629149890512
Energy: 0.8992239196614612
Energy: 1.087803874996732
Energy: 2.0303867932628323
Energy: 1.0794111787798264
Energy: 0.9678782558284155
Energy: 0.9802411033658047
Energy: 0.9798299087321594
Energy: 1.0771505611799432
Energy: 2.044996718748883
Energy: 1.0775523125446436
Energy: 1.0496188247265819
Energy: 1.004950565896904
Energy: 1.0517759800679922
Energy: 1.0928455643469226
Energy: 1.7076465837285133
Energy: 1.0506393514408527
Energy: 0.9938020219390742
Energy: 1.0020802876709396
Energy: 1.0505102757663085
Energy: 1.0752031458875517
Energy: 1.7663065637664817
Energy: 1.0505731304609354
Energy: 1.0502315625427507
Energy: 1.0755923285104334
Energy: 1.051636169668437
Energy: 1.0777925498447285
Energy: 2.0147627876314043
Energy: 1.0929875604113846
Energy: 1.0940794209824036
Energy: 1.076628038516266
Energy: 1.093441654849597
Energy: 1.093173183958389
Energy: 1.8774154918962642
Energy: 1.1212852819605263
Energy: 1.0939989124731007
Energy: 1.106347818122425
Energy: 1.0921058267598582
Energy: 1.1214662226598349
Energy: 1.582250912136631
Energy: 1.093914046246948
Energy: 1.091565772008553
Energy: 1.0851901424422674
Energy: 1.0933722589262669
Energy: 1.104411281124599
Energy: 1.8566818063355846
Energy: 1.105886771253809
Energy: 1.092130315308211
Energy: 1.093377432715316
Energy: 1.1235942305591031
Energy: 1.1099043390494283
Energy: 1.7089664277970589
Energy: 1.106801908096878
Energy: 1.105141625982387
Energy: 1.1084745090979613
Energy: 1.106930496640177
Energy: 1.1077654012689053
Energy: 1.3848628786448076
Energy: 1.1060187052699908
Energy: 1.1060655448583114
Energy: 1.120921498890408
Energy: 1.1078915885910685
Energy: 1.1051386489861446
Energy: 1.393288002027917
Energy: 1.1056508120073456
Energy: 1.105783570034745
Energy: 1.1066166001991218
Energy: 1.106684218321498
Energy: 1.1053160246312606
Energy: 1.542224001039495
Energy: 1.0939242761548496
Energy: 1.1234542094422149
Energy: 1.1059406478968277
Energy: 1.0932858040213318
Energy: 1.093779158210138
Energy: 1.241106351695515
Energy: 1.0948156822222967
Energy: 1.0932059933287808
Energy: 1.1054502106653095
Energy: 1.0927855074845294
Energy: 1.0936165615382
Energy: 1.2458075398761332
Energy: 1.093350185764676
Energy: 1.1279319835382184
Energy: 1.108932929002321
Energy: 1.1213028848685855
Energy: 1.1138505851581983
Energy: 1.2426804027359317
Energy: 1.0995277902069476
Energy: 1.0949905839831324
Energy: 1.106795121852718
Energy: 1.0925911838488525
Energy: 1.0761816786859475
Energy: 1.2346811084940104
Energy: 1.0755492316842008
Energy: 1.0923692684451285
Energy: 1.093000748068903
Energy: 1.0506220257616676
Energy: 1.076243523980378
Energy: 1.0408641362448612
Energy: 1.0516824982364579
Energy: 1.0526214916792809
Energy: 1.1088351330149766
Energy: 1.0518580059715845
Energy: 0.9933520980047431
Energy: 1.0318427545120665
Energy: 0.9940199784703462
Energy: 1.077965034722185
Energy: 1.0921734244076795
Energy: 1.05185974063997
Energy: 1.003520579991667
Energy: 0.9912108071498894
Energy: 0.9610019409963102
Energy: 0.9684942321886241
Energy: 1.0949921430327507
Energy: 0.9596248571319482
Energy: 0.9800739427396028
Energy: 0.8938388229451985
Energy: 0.9593264674849606
Energy: 1.0531001844228463
Energy: 1.0919737624175727
Energy: 0.9621925115170545
Energy: 0.9012063515994888
Energy: 0.8996204905638551
Energy: 0.9589465827426125
Energy: 1.0773852630223764
Energy: 1.0770846489906867
Energy: 1.0241773975699777
Energy: 0.9020101166052349
Energy: 0.8993844134424307
Energy: 0.9594899525298253
Energy: 1.0795742303473193
Energy: 1.0932075041122622
Energy: 1.0441822396153664
Energy: 0.898641851897558
Energy: 0.8935531630035058
Energy: 0.8996288460794627
Energy: 1.0773927893991482
Energy: 1.0776938919839132
Energy: 0.9601739027385957
Energy: 0.903791259444118
Energy: 0.9934047915166574
Energy: 0.9594188017624855
Energy: 1.0811763617292196
Energy: 1.105091689820062
Energy: 0.9781515081527825
Energy: 0.9810071496804305
Energy: 1.0337814133727932
Energy: 1.0507436300685993
Energy: 1.0789666575204746
Energy: 1.0927079017746948
Energy: 1.050306359790578
Energy: 1.0034204728514986
Energy: 1.0348510320469344
Energy: 1.0519556370006151
Energy: 1.049907388424528
Energy: 1.1227802990006495
Energy: 1.0504157237148342
Energy: 1.0127554113152537
Energy: 1.2332758935453147
Energy: 1.0514242905854834
Energy: 1.0760150112275741
Energy: 1.1044073702914656
Energy: 1.049894874121848
Energy: 1.0749064365352634
Energy: 1.283436930594618
Energy: 1.0923120088670033
Energy: 1.0934865198613861
Energy: 1.1053715542372553
Energy: 1.094017647961023
Energy: 1.1284417870207988
Energy: 1.2396497259993335
Energy: 1.0938715837935666
Energy: 1.1202262384647832
Energy: 1.1065666392898728
Energy: 1.1217014979467423
Energy: 1.0922629192995588
Energy: 1.2905438458758092
Energy: 1.0921290896645075
Energy: 1.1031642355967917
Energy: 1.1024014150816466
Energy: 1.0948730821535257
Energy: 1.0927267347231266
Energy: 1.5517991735349155
Energy: 1.0914698916262227
Energy: 1.1309784460726724
Energy: 1.108470409397207
Energy: 1.1219424883611337
Energy: 1.092710058878366
Energy: 1.5526049801137598
Energy: 1.1075294927033328
Energy: 1.1058095057270847
Energy: 1.107171638302094
Energy: 1.1066555209874926
Energy: 1.106301080658224
Energy: 1.5491959183917667
Energy: 1.10579807029586
Energy: 1.1054815149213086
Energy: 1.1021367264780586
Energy: 1.106453770845557
Energy: 1.1056803739348928
Energy: 1.869006506796672
Energy: 1.1058285906840144
Energy: 1.1056852670744532
Energy: 1.1045760609327078
Energy: 1.1076208856324377
Energy: 1.1063672541119058
Energy: 1.8807106193998013
Energy: 1.133947880394469
Energy: 1.0915421110613674
Energy: 1.0940188062930707
Energy: 1.092536248108499
Energy: 1.1094423920502987
Energy: 1.5352892076308688
Energy: 1.0927772987316169
Energy: 1.0916808815692167
Energy: 1.1036155128853429
Energy: 1.093444894317341
Energy: 1.1058941482531175
Energy: 1.8635041710043667
Energy: 1.1400808777552318
Energy: 1.1123043757071007
Energy: 1.1131344104836958
Energy: 1.100976093234938
Energy: 1.1305952420310545
Energy: 2.0401471528351958
Energy: 1.0930446226036257
Energy: 1.1200305501474626
Energy: 1.0775729689631397
Energy: 1.0923129799068738
Energy: 1.0940689262237848
Energy: 1.8709071389192318
Energy: 1.05214338128429
Energy: 1.0762878720723033
Energy: 1.0757862749357971
Energy: 1.0507293316813113
Energy: 1.0927284897362535
Energy: 1.8735383167389412
Energy: 1.0529603010457127
Energy: 0.9939070252132396
Energy: 1.0039348993283697
Energy: 1.0513836774324676
Energy: 1.0513404537988968
Energy: 2.04019539044115
Energy: 1.0772083463715916
Energy: 0.9941696992943181
Energy: 1.0105003837827529
Energy: 1.0513316076744392
Energy: 1.0793498180626846
Energy: 2.0355460591801093
Energy: 0.9939809349512498
Energy: 0.9855848839750732
Energy: 0.9816765784003092
Energy: 0.9598599620551189
Energy: 1.0786870932327635
Energy: 1.8750351351135883
Energy: 0.9642672279471975
Energy: 0.901108772043056
Energy: 0.895943872812829
Energy: 0.9604714153963616
Energy: 1.0923219025943836
Energy: 2.0211542518914234
Energy: 1.078755565482184
Energy: 0.960249617151607
Energy: 0.8993700932463187
Energy: 0.9594995233552359
Energy: 1.0778570850573244
Energy: 2.012555932587524
Energy: 1.0782441149925828
Energy: 0.898093627696694
Energy: 0.9011997228330654
Energy: 0.9592725620916639
Energy: 1.0781187166615704
Energy: 2.0308885524706475
Energy: 0.96193500001606
Energy: 0.898995732185803
Energy: 0.894490031517808
Energy: 0.9618251859662533
Energy: 1.0773554924518864

minimum gb energy = 0.8935531630035058 eV
minimum distance =  2.22840386573701 Angstroms
sigma value = 67


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

Energy: 0.34242593682738404
Energy: 0.40978194870649237
Energy: 0.423536266353284
Energy: 0.42381473925342
Energy: 0.40894790254942837
Energy: 0.2924073682645193
Energy: 1.4973058700580644
Energy: 0.4228090222994936
Energy: 0.4074245117433853
Energy: 0.40744387793550924
Energy: 0.4213455919276797
Energy: 0.42280185058755315
Energy: 1.4812971744701686
Energy: 0.407364416803367
Energy: 0.40727100830988855
Energy: 0.4075880300777325
Energy: 0.4067643510203609
Energy: 0.4072636995392825
Energy: 0.27619603389507624
Energy: 0.40692501104997436
Energy: 0.40761568683082194
Energy: 0.4076648482073959
Energy: 0.40641311751515835
Energy: 0.27556326478938303
Energy: 0.2754627971428638
Energy: 0.4063582169335705
Energy: 0.40709368444525423
Energy: 0.4075424650658514
Energy: 0.4058303152784267
Energy: 0.2754864512459908
Energy: 1.4803912355644055
Energy: 0.406941391464396
Energy: 0.40759791661226624
Energy: 0.4075838238729839
Energy: 0.40673552962989307
Energy: 0.40761640802754906
Energy: 0.27548358380563165
Energy: 0.42321475535879044
Energy: 0.4075201936393627
Energy: 0.4077843141508956
Energy: 0.4075876725184132
Energy: 0.42296691955235294

minimum gb energy = 0.2754627971428638 eV
minimum distance =  2.40723518570849 Angstroms
sigma value = 3


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

Energy: 2.0185917848254524
Energy: 0.9645047528547985
Energy: 0.8778779294685586
Energy: 0.8655661174175322
Energy: 0.9711112924570279
Energy: 1.0815613483649598
Energy: 1.9860428197782938
Energy: 1.0586928916278122
Energy: 0.8622424368558812
Energy: 0.8652721146942127
Energy: 0.8617132298555638
Energy: 1.0662065714374875
Energy: 1.6619840589957537
Energy: 1.0431564657598067
Energy: 0.8694175331376681
Energy: 0.8710554498668199
Energy: 0.8693160431241663
Energy: 1.0503075996012958
Energy: 2.1320016348880504
Energy: 0.962255337761328
Energy: 0.8632212016140483
Energy: 0.8650903910678125
Energy: 0.9683189067780621
Energy: 1.0607044318711274
Energy: 2.1354518795691333
Energy: 0.9562476832050842
Energy: 0.9610138156372237
Energy: 0.958814459000491
Energy: 0.9631324786286527
Energy: 1.0622339696744931
Energy: 1.6617180115647943
Energy: 1.042441875047217
Energy: 0.9723340440367557
Energy: 0.9619450026831721
Energy: 0.9569091130729072
Energy: 1.066679005582357
Energy: 1.9856111741333218
Energy: 1.0651189384420228
Energy: 0.9675778440295142
Energy: 0.9733329665836897
Energy: 0.9744001462332795
Energy: 1.066214840313136
Energy: 1.8461478589431526
Energy: 1.061328378587414
Energy: 1.0713926231383208
Energy: 1.0971652268118588
Energy: 1.059562285109252
Energy: 1.0815112507385405
Energy: 1.9841857868082844
Energy: 1.0666323306892724
Energy: 1.0700803130710788
Energy: 1.0827262743982677
Energy: 1.0889019438649534
Energy: 1.0726549350112558
Energy: 1.6605466519923915
Energy: 1.0812672896768882
Energy: 1.0568776114238665
Energy: 1.074189877457884
Energy: 1.0592994375149964
Energy: 1.097916642870022
Energy: 1.84041213621322
Energy: 1.082139317455587
Energy: 1.0960522546050977
Energy: 1.2134630390385295
Energy: 1.0956229104495887
Energy: 1.085808248987315
Energy: 1.8185986435077768
Energy: 1.0929188943813921
Energy: 1.089170273278681
Energy: 1.1283163820519142
Energy: 1.0904554614169484
Energy: 1.0965507963212318
Energy: 1.8099763512293792
Energy: 1.0979416162114872
Energy: 1.0844699301835559
Energy: 1.1023165942237725
Energy: 1.097481171988222
Energy: 1.1053672906502312
Energy: 1.7998175897849107
Energy: 1.088297825200962
Energy: 1.1043583043532135
Energy: 1.1251580778995527
Energy: 1.1042681168817843
Energy: 1.0886321483754606
Energy: 1.5340595018928191
Energy: 1.0933225946696588
Energy: 1.1216207713428228
Energy: 1.1341699258980626
Energy: 1.1090201031564877
Energy: 1.08912838338949
Energy: 1.5303422224473104
Energy: 1.118012904171464
Energy: 1.0894496009831167
Energy: 1.0867035198796398
Energy: 1.0945262168011891
Energy: 1.1104204628899508
Energy: 1.5201713171290805
Energy: 1.1127873862230766
Energy: 1.0893604824792562
Energy: 1.0882386380831763
Energy: 1.0911448309888545
Energy: 1.1153144323387505
Energy: 1.537142196930136
Energy: 1.0918394801411364
Energy: 1.0961742582400622
Energy: 1.100357502998427
Energy: 1.0865616634167923
Energy: 1.083610198633104
Energy: 1.521660964491533
Energy: 1.0958587299078146
Energy: 1.0928981250923486
Energy: 1.0968608663809063
Energy: 1.0869667275757722
Energy: 1.098239617858222
Energy: 1.2539019003638625
Energy: 1.093412438299871
Energy: 1.0873018527263465
Energy: 1.088605808435771
Energy: 1.0810737134174384
Energy: 1.101168571801017
Energy: 1.2248622244887175
Energy: 1.0594684827879717
Energy: 1.0914199049118045
Energy: 1.1125453732494537
Energy: 1.090888744170091
Energy: 1.0564434061211314
Energy: 1.2402360837539073
Energy: 1.0682528574264354
Energy: 1.084070695153872
Energy: 1.1327704553125642
Energy: 1.0675504956802886
Energy: 1.0739534913389628
Energy: 0.9837059052260808
Energy: 1.071614475832883
Energy: 1.0745721884133554
Energy: 1.0868011969805826
Energy: 1.0573855710077815
Energy: 0.9755924303696047
Energy: 0.9833018565723249
Energy: 0.9653936952848189
Energy: 1.0662622284939094
Energy: 1.0903224203971587
Energy: 1.0752145307699417
Energy: 0.971612775927804
Energy: 0.9824785719422354
Energy: 0.9561272735975391
Energy: 1.0516617550789893
Energy: 1.0893141231958545
Energy: 0.9648075958254597
Energy: 0.9650107794464529
Energy: 0.9765090309611352
Energy: 0.9622360922398564
Energy: 1.048692308804423
Energy: 1.075265298197029
Energy: 0.9546214830186319
Energy: 0.9591232159091923
Energy: 0.8630565072181372
Energy: 0.8607687738872578
Energy: 1.0408863517955673
Energy: 1.0713347455330555
Energy: 0.9588389324381451
Energy: 0.8621221544893295
Energy: 0.8710318498360373
Energy: 0.8693227485556058
Energy: 1.0454065700401445
Energy: 1.1234832474825363
Energy: 0.8717812859547027
Energy: 0.867073463403582
Energy: 0.8642872008623012
Energy: 0.8633241897216503
Energy: 1.0554313062978564
Energy: 1.0915778892033081
Energy: 0.9681814717044872
Energy: 0.8630441116818982
Energy: 1.0099796407306207
Energy: 0.9950623327539063
Energy: 1.0607650413539431
Energy: 1.0829320209155124
Energy: 0.9559672875997671
Energy: 0.9830648077004662
Energy: 0.9838367039358668
Energy: 0.9689311328545978
Energy: 1.0617237215059678
Energy: 1.0978032691577313
Energy: 0.9741391084893284
Energy: 0.9884242884032144
Energy: 0.9771244736199461
Energy: 0.9572256759682554
Energy: 1.0787950859765068
Energy: 1.0997193047242084
Energy: 0.9859790538761172
Energy: 0.9638910162309079
Energy: 0.9895178387762328
Energy: 0.9746326321876707
Energy: 1.0651357180457013
Energy: 1.0902223805034021
Energy: 1.0608483242037692
Energy: 0.9678576504481484
Energy: 1.2303461010540468
Energy: 1.0657211138008729
Energy: 1.067553553992918
Energy: 1.0792414408197257
Energy: 1.055861303144542
Energy: 1.0601749536865448
Energy: 1.2326143289542975
Energy: 1.061582782284201
Energy: 1.099946978015315
Energy: 1.1558717091369268
Energy: 1.061331933246874
Energy: 1.0603221196211836
Energy: 1.2451614005767762
Energy: 1.0870781018375508
Energy: 1.0911611643120749
Energy: 1.0893120627568096
Energy: 1.0808400115529722
Energy: 1.088196029907588
Energy: 1.3875318457260815
Energy: 1.094370215448071
Energy: 1.0812692497586802
Energy: 1.0901506810071058
Energy: 1.080776446283553
Energy: 1.1021453044930711
Energy: 1.388510583394866
Energy: 1.0872109072390077
Energy: 1.095547491485398
Energy: 1.101018247675251
Energy: 1.1085672985890787
Energy: 1.0840130851072285
Energy: 1.5137921277175854
Energy: 1.082066711510938
Energy: 1.0906248922203583
Energy: 1.105537521800816
Energy: 1.1117659376356164
Energy: 1.0999954964141818
Energy: 1.5331880920172989
Energy: 1.112408490202482
Energy: 1.0884635710207784
Energy: 1.0849231386759794
Energy: 1.0949354740265829
Energy: 1.122663233846981
Energy: 1.6751191208337621
Energy: 1.1027723377834096
Energy: 1.112520878289198
Energy: 1.1063069503874463
Energy: 1.1017539325927839
Energy: 1.096002387706585
Energy: 1.6773207418566258
Energy: 1.089285524153374
Energy: 1.1064015486784884
Energy: 1.1076730054416042
Energy: 1.102448427910773
Energy: 1.090372118648206
Energy: 1.6559770171805888
Energy: 1.0815690779155986
Energy: 1.0811323140233764
Energy: 1.110528093907413
Energy: 1.0841267995661275
Energy: 1.1097627755693371
Energy: 1.9542429150447616
Energy: 1.0925187233989464
Energy: 1.093218835650132
Energy: 1.0846683040115144
Energy: 1.0907001644309033
Energy: 1.107935675721345
Energy: 1.6871188831454735
Energy: 1.0822763914221616
Energy: 1.089686318630256
Energy: 1.1081127729765736
Energy: 1.0889437071010826
Energy: 1.087755585855372
Energy: 1.95214280512239
Energy: 1.0889256458752863
Energy: 1.0937031455025987
Energy: 1.0923500689116947
Energy: 1.0962962364105233
Energy: 1.0897769460312714
Energy: 1.6618829960879122
Energy: 1.066900082364101
Energy: 1.0653990611477862
Energy: 1.0702466608507144
Energy: 1.0701265659696144
Energy: 1.0891010393228033
Energy: 1.9810016267067716
Energy: 1.065467381417032
Energy: 1.0574596071776308
Energy: 1.0789904561960748
Energy: 1.0618200295990707
Energy: 1.071379868885136
Energy: 1.9775685831730128
Energy: 1.0609768668056798
Energy: 0.9657948328883839
Energy: 0.9747028276884586
Energy: 0.9752562410099737
Energy: 1.0711257365004576
Energy: 1.661278799376538
Energy: 1.0714095965373132
Energy: 0.9634039993987609
Energy: 0.9597627637393179
Energy: 0.9561732926081731
Energy: 1.0786691106730855
Energy: 1.9940823491759667
Energy: 0.9749919738625512
Energy: 0.9575757229942158
Energy: 0.9787909011633787
Energy: 0.9613437922859568
Energy: 1.06313539596517

minimum gb energy = 0.8607687738872578 eV
minimum distance =  2.22116621825726 Angstroms
sigma value = 81


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

Energy: 2.1614511731042634
Energy: 1.0922421364551684
Energy: 0.9868643586771956
Energy: 0.966521984452492
Energy: 1.1194398009710367
Energy: 1.2367525294440995
Energy: 1.7159620427500382
Energy: 1.1069092593501175
Energy: 0.9663030862409636
Energy: 0.9652740873855755
Energy: 0.9658764163566802
Energy: 1.2144994917598744
Energy: 1.6924102408770456
Energy: 1.0905928053564837
Energy: 0.9734466357926155
Energy: 0.972015578279408
Energy: 0.973501536639395
Energy: 1.1994160057588352
Energy: 1.7285595933672535
Energy: 1.0943401313534786
Energy: 0.9664493442839754
Energy: 0.965782909064852
Energy: 0.9661933995048892
Energy: 1.2124365594880693
Energy: 1.7286668299178969
Energy: 1.0894928151088845
Energy: 1.1025453661858258
Energy: 1.0924749902643274
Energy: 1.0897198550140874
Energy: 1.2188229852550998
Energy: 1.6927128421188087
Energy: 1.090819132489066
Energy: 1.0894616273557671
Energy: 1.0985160709634922
Energy: 1.0902389317700496
Energy: 1.2434720535038553
Energy: 1.7163433976655704
Energy: 1.2233714179654216
Energy: 1.103775893471366
Energy: 1.1163119489782942
Energy: 1.1016632436139182
Energy: 1.2241578308872887
Energy: 1.8797110887151156
Energy: 1.213365197980251
Energy: 1.2445663967911509
Energy: 1.1449224294043583
Energy: 1.2195507525237836
Energy: 1.227874755542238
Energy: 1.6842711573430942
Energy: 1.2469181205202144
Energy: 1.2304395108721815
Energy: 1.2027152146358826
Energy: 1.2237875827288256
Energy: 1.2250425491171157
Energy: 1.6962557038478585
Energy: 1.236395219127555
Energy: 1.2125830549533392
Energy: 1.2348120426282991
Energy: 1.2232387249048247
Energy: 1.2446826472339925
Energy: 1.481314853538919
Energy: 1.235869190204372
Energy: 1.2448907084341136
Energy: 1.4051783607789365
Energy: 1.2476660061611242
Energy: 1.2295186188457068
Energy: 1.3145807684106567
Energy: 1.2445551852637788
Energy: 1.2481951739526982
Energy: 1.2257417445570629
Energy: 1.2443440501917067
Energy: 1.245158198878772
Energy: 1.5186793032338572
Energy: 1.2454747641880857
Energy: 1.2363073948148011
Energy: 1.244579132499619
Energy: 1.2455312966809093
Energy: 1.253390187337139
Energy: 1.4718442399938267
Energy: 1.219740164134981
Energy: 1.2367854314335947
Energy: 1.2455900763751067
Energy: 1.2409717045419866
Energy: 1.2207670936203203
Energy: 1.4795153163069736
Energy: 1.2241100867300414
Energy: 1.2248384654794817
Energy: 1.283857358529965
Energy: 1.2232463258529684
Energy: 1.2153266478218347
Energy: 1.1419273028565349
Energy: 1.2354118856701521
Energy: 1.2234274544924362
Energy: 1.2331200579674333
Energy: 1.222733453490252
Energy: 1.2448827082479939
Energy: 1.1205801205476955
Energy: 1.1007480402815903
Energy: 1.223213505341163
Energy: 1.2420547637064288
Energy: 1.2142887944042768
Energy: 1.1019733930586657
Energy: 1.1226448056458567
Energy: 1.0923428900522913
Energy: 1.1995473087730435
Energy: 1.2503967455956344
Energy: 1.089384000327831
Energy: 1.0903160610142373
Energy: 1.121337703140102
Energy: 1.0885614671193942
Energy: 1.1945023603990683
Energy: 1.2233118913934429
Energy: 1.089832721921573
Energy: 1.090819410897249
Energy: 0.9666388171656846
Energy: 0.9660035274248959
Energy: 1.1942289112905529
Energy: 1.2230807539095658
Energy: 1.089438886407453
Energy: 0.9656726325249713
Energy: 0.9731871643515149
Energy: 0.9729519448570532
Energy: 1.199597679214114
Energy: 1.2902368412582805
Energy: 0.9722128543846154
Energy: 0.9723803714151485
Energy: 0.9697813449234659
Energy: 0.9659663647161042
Energy: 1.2034445665980356
Energy: 1.2383177832789962
Energy: 1.107229957850788
Energy: 0.9660098380801246
Energy: 0.983930260261093
Energy: 0.9849958064483711
Energy: 1.2241791303527765
Energy: 1.2531472876310585
Energy: 1.1060359994162392
Energy: 0.9847368103720451
Energy: 1.1279792443693433
Energy: 1.095862532518555
Energy: 1.2025121125707652
Energy: 1.2378227948166287
Energy: 1.1072261408448032
Energy: 1.106049649211176
Energy: 1.1211463157170656
Energy: 1.0887319337554164
Energy: 1.24458615951599
Energy: 1.2891374819458943
Energy: 1.0892590224190841
Energy: 1.096294365130605
Energy: 1.1436626609391964
Energy: 1.1142190020338727
Energy: 1.2232004299167605
Energy: 1.2273744372204844
Energy: 1.218888197775645
Energy: 1.1090639783304943
Energy: 1.3081606087710904
Energy: 1.2185652481035227
Energy: 1.2241700293450875
Energy: 1.2273661221488885
Energy: 1.223072649960815
Energy: 1.2196871169741332
Energy: 1.285712943617302
Energy: 1.2227616214823995
Energy: 1.2238551638115283
Energy: 1.420531210023907
Energy: 1.2240144806806936
Energy: 1.2272188510285371
Energy: 1.478081641341046
Energy: 1.234181141579606
Energy: 1.2372639825452176
Energy: 1.23799902268562
Energy: 1.2354695816585277
Energy: 1.238633470559316
Energy: 1.4948607059974908
Energy: 1.2619609677243544
Energy: 1.2382904849193446
Energy: 1.2187882237507017
Energy: 1.2458664303284008
Energy: 1.2465658855543857
Energy: 1.674196254649858
Energy: 1.2434099669697727
Energy: 1.2606888313756293
Energy: 1.2478638314668258
Energy: 1.245461369026279
Energy: 1.2251555977610664
Energy: 1.6983574403745678
Energy: 1.242811142824622
Energy: 1.227907254428787
Energy: 1.2475524700609433
Energy: 1.2457094751669642
Energy: 1.2397266498416017
Energy: 1.689211591191124
Energy: 1.223587057809394
Energy: 1.2218491726757155
Energy: 1.2351953672023472
Energy: 1.2229128265090627
Energy: 1.238220621962866
Energy: 1.677894126029205
Energy: 1.2239065995649911
Energy: 1.2185839278051103
Energy: 1.2307230817178487
Energy: 1.2182085127929636
Energy: 1.2419237808994241
Energy: 1.6692115031243089
Energy: 1.213984051479191
Energy: 1.1138340632570825
Energy: 1.111727833377375
Energy: 1.2357935396221584
Energy: 1.2328210654664824
Energy: 1.6887980045103819
Energy: 1.2359165044557987
Energy: 1.0891119148474189
Energy: 1.0910940468844892
Energy: 1.0888876257097688
Energy: 1.244799590386838
Energy: 1.497816396419959
Energy: 1.2010430622878903
Energy: 1.0919754089022629
Energy: 1.0923189371728244
Energy: 1.091531170275808
Energy: 1.2234578252096344
Energy: 1.675691051268034
Energy: 1.0898594061989726
Energy: 1.0992816382099417
Energy: 0.9852510934821133
Energy: 1.0899325256327013
Energy: 1.2248907089334138

minimum gb energy = 0.9652740873855755 eV
minimum distance =  2.27569227299859 Angstroms
sigma value = 43


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

Energy: 2.117320483467865
Energy: 1.1994920235773439
Energy: 1.0559354493026256
Energy: 1.05247679924614
Energy: 1.2090642928937292
Energy: 1.3544196535624817
Energy: 1.5238708231112639
Energy: 1.2200925422458633
Energy: 1.0497258786270531
Energy: 1.0488510153825756
Energy: 1.0498527648890263
Energy: 1.3371563721915525
Energy: 1.4816523312826848
Energy: 1.1417514635849462
Energy: 1.0529295684455457
Energy: 1.0520685550605957
Energy: 1.0524058978153998
Energy: 1.3305246632807417
Energy: 1.4715690400083308
Energy: 1.2020321981972155
Energy: 1.0526175669775333
Energy: 1.0492096519572576
Energy: 1.0510100026701594
Energy: 1.3241776188942007
Energy: 1.5737779134221017
Energy: 1.209019599847195
Energy: 1.1976838060798993
Energy: 1.222771324082868
Energy: 1.1981225779480642
Energy: 1.3194734116096654
Energy: 1.481831414638714
Energy: 1.2047526616734494
Energy: 1.200846749808194
Energy: 1.2037641106508743
Energy: 1.205970624937743
Energy: 1.372069428318693
Energy: 1.7149440344967313
Energy: 1.3376881976558592
Energy: 1.2091339854954992
Energy: 1.2119750243998184
Energy: 1.2061567783899512
Energy: 1.3375498175351996
Energy: 1.8008587097864523
Energy: 1.3370009384703683
Energy: 1.3453258996192903
Energy: 1.2317853168720139
Energy: 1.3487924684995947
Energy: 1.3430194366098946
Energy: 1.5228191640020408
Energy: 1.3720318049219906
Energy: 1.336407722829814
Energy: 1.3297987525866888
Energy: 1.3370488981693984
Energy: 1.3742295900323096
Energy: 1.4920907337917964
Energy: 1.300918330736475
Energy: 1.3278062005401008
Energy: 1.3750238993970374
Energy: 1.3368482178374286
Energy: 1.2965431186367153
Energy: 1.717769489400074
Energy: 1.2944776966753044
Energy: 1.3483712309153062
Energy: 1.3874905838745195
Energy: 1.2989313641529336
Energy: 1.2945064340064651
Energy: 1.7149204666741693
Energy: 1.2916460373660654
Energy: 1.2987496483815866
Energy: 1.3434036295776686
Energy: 1.2988459063970246
Energy: 1.2964375417234737
Energy: 1.3411759216472456
Energy: 1.2948293997597424
Energy: 1.33197037799762
Energy: 1.338174237530001
Energy: 1.2904076313562516
Energy: 1.273140641806573
Energy: 1.3322752915139062
Energy: 1.257056463219647
Energy: 1.3527808717815424
Energy: 1.3515936464882505
Energy: 1.258158835012308
Energy: 1.258262003473171
Energy: 1.327417139436452
Energy: 1.2566123668000257
Energy: 1.3065596161895303
Energy: 1.4096101280318594
Energy: 1.2540269887343443
Energy: 1.2558015748595321
Energy: 1.1294589932617702
Energy: 1.2600355699593775
Energy: 1.3201982781793278
Energy: 1.3478310655384096
Energy: 1.3064027560171596
Energy: 1.2615640311290588
Energy: 1.13472393232234
Energy: 1.1163305855199652
Energy: 1.3056642991266825
Energy: 1.377562639127663
Energy: 1.305483814175434
Energy: 1.1172587655285855
Energy: 1.1426460796329845
Energy: 1.1221126255609275
Energy: 1.3339766399420667
Energy: 1.3466594175273439
Energy: 1.1242733477261793
Energy: 1.124806679929017
Energy: 1.147953988192039
Energy: 1.1449867800690943
Energy: 1.1443341311750352
Energy: 1.3197149798097763
Energy: 1.1445588046375978
Energy: 1.1367963290873542
Energy: 1.2780679091359042
Energy: 1.1455822613690203
Energy: 1.1440343978562484
Energy: 1.3195272687614277
Energy: 1.1412656290704064
Energy: 1.1449268462909672
Energy: 1.2687981944427138
Energy: 1.144844351986398
Energy: 1.3352882777489872
Energy: 1.389583080989951
Energy: 1.1439836984929863
Energy: 1.1378925695897324
Energy: 1.2656279674677409
Energy: 1.1415119031955703
Energy: 1.3359944496500487
Energy: 1.4131008037124724
Energy: 1.1810683384241236
Energy: 1.1419181533304783
Energy: 1.2659418070535573
Energy: 1.3622346826141691
Energy: 1.3610646944885145
Energy: 1.344878502508244
Energy: 1.3621281347412613
Energy: 1.1783890108296253
Energy: 1.5496401869567191
Energy: 1.3360569813954635
Energy: 1.3358017857747468
Energy: 1.3663418913110406
Energy: 1.33575423427936
Energy: 1.3340881176366979
Energy: 1.6928831591337576
Energy: 1.3356946591089496
Energy: 1.3552135190368702
Energy: 1.3886868016622855
Energy: 1.3439311967628067
Energy: 1.3333351448426578
Energy: 1.4825524593834933
Energy: 1.3475396072936217
Energy: 1.34277891764232
Energy: 1.3466701590148047
Energy: 1.3485173997814097
Energy: 1.3335993692639403
Energy: 1.5051415418206398
Energy: 1.348058047051604
Energy: 1.3425731556271583
Energy: 1.3478853416576895
Energy: 1.3427487191947638
Energy: 1.3477763230540474
Energy: 1.4732590726697707
Energy: 1.3420520366915079
Energy: 1.2270198734454907
Energy: 1.1999663947378616
Energy: 1.2978080943054664
Energy: 1.3317686273862175
Energy: 1.4808795497070033
Energy: 1.2959226735345601
Energy: 1.1948798057920276
Energy: 1.1973321311745408
Energy: 1.1946072237898848
Energy: 1.3725180531508512
Energy: 1.7165617878261397
Energy: 1.200479133667187
Energy: 1.2209759985523754
Energy: 1.2005184262655333
Energy: 1.1991471771864002
Energy: 1.3393682116051011
Energy: 1.8133351291927293
Energy: 1.1947707091952795
Energy: 1.2046622215181868
Energy: 1.1979121656914133
Energy: 1.1952170534383109
Energy: 1.2521990144376405

minimum gb energy = 1.0488510153825756 eV
minimum distance =  2.23075887440103 Angstroms
sigma value = 57


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

Energy: 1.7045088113056095
Energy: 1.32487480205337
Energy: 1.1503002822465762
Energy: 1.1455843192401387
Energy: 1.326811107714466
Energy: 1.4938621842003932
Energy: 1.4055931708790708
Energy: 1.3271840596651958
Energy: 1.149865463317842
Energy: 1.1519106435169815
Energy: 1.1491016303891655
Energy: 1.474295205866805
Energy: 1.6923478807032462
Energy: 1.3281478441777483
Energy: 1.1501502005155104
Energy: 1.1465166869295507
Energy: 1.1507592911685218
Energy: 1.453797078069611
Energy: 1.6786783218429346
Energy: 1.3252253766294357
Energy: 1.1543944617504391
Energy: 1.1425948742086192
Energy: 1.1491488849437583
Energy: 1.4523559836482935
Energy: 1.68366433419721
Energy: 1.3214651246046265
Energy: 1.3269129702745908
Energy: 1.1605504947375667
Energy: 1.3267659683299438
Energy: 1.451146583421399
Energy: 1.6906960014116317
Energy: 1.3277330803098741
Energy: 1.315613067103712
Energy: 1.320345862837054
Energy: 1.316124359209127
Energy: 1.5025926536368273
Energy: 1.4061211736278887
Energy: 1.4808660415800954
Energy: 1.3383023054801404
Energy: 1.3295728265071494
Energy: 1.3220907485609246
Energy: 1.4850363677132694
Energy: 1.4014676989909942
Energy: 1.4532803091584758
Energy: 1.48860479063001
Energy: 1.149275909397521
Energy: 1.4974368416369495
Energy: 1.454084071342878
Energy: 1.4045043746006591
Energy: 1.4974886368808629
Energy: 1.4510303176735413
Energy: 1.498285486542177
Energy: 1.5009281194364554
Energy: 1.487201983548082
Energy: 1.402565284849529
Energy: 1.324367475999109
Energy: 1.4530752766227284
Energy: 1.590033177570762
Energy: 1.4539769772152724
Energy: 1.3296710017290738
Energy: 1.4104117558664624
Energy: 1.3294074070237658
Energy: 1.4535836177778174
Energy: 1.5229702732853656
Energy: 1.3237815783586866
Energy: 1.3450005415684128
Energy: 1.4077050515011735
Energy: 1.3325586084048777
Energy: 1.3223887899240176
Energy: 1.5146559470971916
Energy: 1.323561081002791
Energy: 1.3325313241714514
Energy: 1.1446381497153986
Energy: 1.146018383578619
Energy: 1.4505260226240249
Energy: 1.4502490775596926
Energy: 1.3214951875910323
Energy: 1.1462724492336753
Energy: 1.136191935195376
Energy: 1.1508625065680276
Energy: 1.4547116880640412
Energy: 1.526253910330025
Energy: 1.1654327996371392
Energy: 1.1677267918344727
Energy: 1.138618334518188
Energy: 1.1491855390992358
Energy: 1.3426480063941533
Energy: 1.525469752876464
Energy: 1.3419327748670389
Energy: 1.1449810793134259
Energy: 1.1488055638780752
Energy: 1.326756191570177
Energy: 1.4513323275571406
Energy: 1.4510658988362235
Energy: 1.325097435575996
Energy: 1.1485078586330115
Energy: 1.402121833769995
Energy: 1.3274628918641094
Energy: 1.343468427114626
Energy: 1.3291934933038505
Energy: 1.325700824730146
Energy: 1.3215722937475394
Energy: 1.4011963911954628
Energy: 1.3261738394949305
Energy: 1.4921072171235998
Energy: 1.3374762250753653
Energy: 1.3223984451865523
Energy: 1.3373429293175612
Energy: 1.405391202325975
Energy: 1.3354489228637427
Energy: 1.4827163876200196
Energy: 1.4828109637216573
Energy: 1.4542225232275208
Energy: 1.3345540749910598
Energy: 1.4063424754007228
Energy: 1.4743482598971036
Energy: 1.4543639103230677
Energy: 1.4759360046650343
Energy: 1.454046862876232
Energy: 1.499083898590258
Energy: 1.6803246654457396
Energy: 1.476118651808058
Energy: 1.3341131139280562
Energy: 1.3325057181046076
Energy: 1.4740292590727664
Energy: 1.451718175473173
Energy: 1.409054871003094
Energy: 1.454272215472073
Energy: 1.3313272652080028
Energy: 1.3290257997211956
Energy: 1.3213025714856288
Energy: 1.4954787595814154
Energy: 1.6906373502628123
Energy: 1.3255470616449736
Energy: 1.359728371872703
Energy: 1.3299739234051287
Energy: 1.3275613277967722
Energy: 1.4541055442158848
Energy: 1.1433241917835477
Energy: 1.3219796594520308
Energy: 1.3271439354126302
Energy: 1.1509007820402866
Energy: 1.3272445252711855
Energy: 1.449831020411813

minimum gb energy = 1.136191935195376 eV
minimum distance =  2.22994615819093 Angstroms
sigma value = 17


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

Energy: 2.323411315840865
Energy: 1.478880887555503
Energy: 1.2836476170516369
Energy: 1.4608670497731187
Energy: 1.4782025275049289
Energy: 1.6371815688534528
Energy: 1.267285135400914
Energy: 1.4911177184767141
Energy: 1.2695630924269434
Energy: 1.2682856901540522
Energy: 1.2744589606558678
Energy: 1.6394445949026328
Energy: 1.2805886872387284
Energy: 1.4877164783489563
Energy: 1.2889028441114596
Energy: 1.2611682130704391
Energy: 1.2845264456140686
Energy: 1.6465612799107445
Energy: 1.250578131264703
Energy: 1.4774992956380482
Energy: 1.2744897081278839
Energy: 1.2684693155104678
Energy: 1.4704136524747222
Energy: 1.4762089015555844
Energy: 1.2503306374946297
Energy: 1.4912427810228264
Energy: 1.4665760735168372
Energy: 1.2654049665734448
Energy: 1.468348007546506
Energy: 1.4910838312353787
Energy: 1.2799954340933004
Energy: 1.4925731267389881
Energy: 1.485238611384249
Energy: 1.224391200852184
Energy: 1.4879432099948893
Energy: 1.480310068078314
Energy: 1.268972999388675
Energy: 1.4670722281574307
Energy: 1.4726977089523894
Energy: 1.268182062656816
Energy: 1.474793512342552
Energy: 1.4660117439871243
Energy: 1.2717526757817954
Energy: 1.4870167120990614
Energy: 1.4952647893517443
Energy: 1.2824655382186825
Energy: 1.4867192251616135
Energy: 1.4842170439543951
Energy: 1.2685144084520683
Energy: 1.4699002982002156
Energy: 1.6382847313667062
Energy: 1.629834879339907
Energy: 1.4768750142485032
Energy: 1.4687409806842697
Energy: 1.2692449416356193
Energy: 1.2786336041693769
Energy: 1.491120924857679
Energy: 1.2741550934448322
Energy: 1.4686744888770156
Energy: 1.269877826074169
Energy: 1.2574373167348016
Energy: 1.2853241883053161
Energy: 1.4887702686230355
Energy: 1.281795514630566
Energy: 1.2951460020942975
Energy: 1.285145322897382
Energy: 1.2535937904019498
Energy: 1.277662843557178
Energy: 1.492269959638277
Energy: 1.4499886204487733
Energy: 1.4671189470413837
Energy: 1.2744083105321342
Energy: 1.287520974755162
Energy: 1.4768788578798875
Energy: 1.482919426904172
Energy: 1.4506972890208445
Energy: 1.4814455771448793
Energy: 1.4711784445964295
Energy: 1.2239952824888543
Energy: 1.4858683681493818
Energy: 1.494556489985909
Energy: 1.2822141373988711
Energy: 1.4852984534625708
Energy: 1.2249957754969927
Energy: 1.268629859623719
Energy: 1.466584252024908
Energy: 1.4668278387031353
Energy: 1.2877432002726203
Energy: 1.351892067961932
Energy: 1.4668947068480627
Energy: 1.2801121328979908
Energy: 1.4871143160296183
Energy: 1.487111671003961
Energy: 1.4681062084015055
Energy: 1.493352495451523
Energy: 1.4734918994141135
Energy: 1.26348501732414
Energy: 1.475832028028006
Energy: 1.4671933017158374
Energy: 1.2829327429757054
Energy: 1.4689219343242075
Energy: 1.6303931863544716

minimum gb energy = 1.2239952824888543 eV
minimum distance =  2.23221943220435 Angstroms
sigma value = 17


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

Energy: 1.6825034426983512
Energy: 1.4788072605449283
Energy: 1.3212297885270257
Energy: 1.5222046735827706
Energy: 1.3351912208302834
Energy: 1.771815382886925
Energy: 1.3314745092971445
Energy: 1.4666201402752
Energy: 1.314497215939489
Energy: 1.313157915471689
Energy: 1.3164037622378781
Energy: 1.4725391338556995
Energy: 1.3238673616199779
Energy: 1.474775436782465
Energy: 1.3180922937863728
Energy: 1.3163620185437346
Energy: 1.317030944627578
Energy: 1.6617881957734155
Energy: 1.8425206550887123
Energy: 1.6226411659207067
Energy: 1.3211131319056078
Energy: 1.3417221974313527
Energy: 1.3208451812664668
Energy: 1.6218934954947815
Energy: 1.4324280944074237
Energy: 1.700713743799541
Energy: 1.6219653386726838
Energy: 1.3238087898015838
Energy: 1.702549761541529
Energy: 1.6212862015371166
Energy: 1.3423612519240464
Energy: 1.3207668410805673
Energy: 1.669359630019166
Energy: 1.6870351462381763
Energy: 1.7225677390307657
Energy: 1.336138514241659
Energy: 1.3305301465098238
Energy: 1.3416406043828097
Energy: 1.6234645176237088
Energy: 1.3223295316939156
Energy: 1.475748649865766
Energy: 1.3339513282378554
Energy: 1.3107472629601087
Energy: 1.3141554380751166
Energy: 1.4725506738503198
Energy: 1.3346146032491313
Energy: 1.3351669661953967
Energy: 1.3189614354852677
Energy: 1.3211992107107116
Energy: 1.328774539946249
Energy: 1.560920203555711
Energy: 1.6245713605455512
Energy: 1.4645062900555714
Energy: 1.3182052825704247
Energy: 1.5002129102101602
Energy: 1.461924691920126
Energy: 1.4662688295647488
Energy: 1.4198274724348827
Energy: 1.4676988914602074
Energy: 1.4618992393847967
Energy: 1.5014274386408282
Energy: 1.469290770190057
Energy: 1.4913192496907537
Energy: 1.324189522424634
Energy: 1.466987734461836
Energy: 1.465466782649093
Energy: 1.4220270005950286
Energy: 1.4697685776428406
Energy: 1.556441040850421
Energy: 1.4173421713763397
Energy: 1.6335178167821398
Energy: 1.4679133945897183
Energy: 1.3670561415333926
Energy: 1.6256863510296091
Energy: 1.6277227233382
Energy: 1.4181050310380905
Energy: 1.6255941730878471
Energy: 1.6537233203256108
Energy: 2.006417837430893
Energy: 1.546357494258945
Energy: 1.5420514936750362
Energy: 1.2929071188525778
Energy: 1.5447262789898772
Energy: 1.7685516318266108
Energy: 1.5692952576344554
Energy: 1.55247486797857
Energy: 1.28879867632584
Energy: 1.2923278545685433
Energy: 1.289323084026056
Energy: 1.625097632752081
Energy: 1.3670357365379149
Energy: 1.299237608693426
Energy: 1.308987930270562
Energy: 1.2952979462964955
Energy: 1.300039579093922
Energy: 1.6658934124705156
Energy: 1.8332495882948567
Energy: 1.6494251542062608
Energy: 1.292028886711601
Energy: 1.2930034072595378
Energy: 1.2939423376140222
Energy: 1.621000838414868
Energy: 1.833033554745908
Energy: 1.6484367155271222
Energy: 1.5608752363597378
Energy: 1.3047437462738192
Energy: 1.5577195284745484
Energy: 1.6205728391939538
Energy: 1.5460803346489078
Energy: 1.6272062972416839
Energy: 1.6202767900624715
Energy: 1.2923366834120065
Energy: 1.6234879927238717
Energy: 1.3180983203702317
Energy: 1.5005386283105602
Energy: 1.4618767252986384
Energy: 1.5599645091118177
Energy: 1.4888262963294168
Energy: 1.624167037390137
Energy: 1.4582339316275383
Energy: 1.4994662296207721
Energy: 1.4702003911413843
Energy: 1.4686339901857557
Energy: 1.325256198321987
Energy: 1.4676915876736374
Energy: 1.462126431020283
Energy: 1.4594762348010728
Energy: 1.4664459747498655
Energy: 1.5745266294085505
Energy: 1.5137419588267582
Energy: 1.461145069082388
Energy: 1.3168274582864836
Energy: 1.313713325804675
Energy: 1.3142146167209001
Energy: 1.4683207956772415
Energy: 1.6583560176525094
Energy: 1.46989356053945
Energy: 1.3168029419941494
Energy: 1.3120900229749002
Energy: 1.3241732696906245
Energy: 1.4840671579146736
Energy: 1.3250842324512553
Energy: 1.3258463020662279
Energy: 1.3158523929538546
Energy: 1.3266953619680548
Energy: 1.3163938111705793
Energy: 1.6209888393874368
Energy: 1.4217415188140268
Energy: 1.6200254509472534
Energy: 1.317751397915543
Energy: 1.3296928344088634
Energy: 1.7186985047110153
Energy: 1.6247723056727303
Energy: 1.415851866892943
Energy: 1.6269969814371574
Energy: 1.6870448098655872
Energy: 2.013545065613013
Energy: 1.6233690383034813
Energy: 1.719051680792937
Energy: 1.3278256659090721
Energy: 1.719204682611011
Energy: 1.6697923547651787
Energy: 2.0274097022618363
Energy: 1.621749340032607
Energy: 1.3216187720834067
Energy: 1.3215263797512304
Energy: 1.3220948700953385
Energy: 1.6217148616767911
Energy: 1.3229991474168703
Energy: 1.317476193433358
Energy: 1.343096194185405
Energy: 1.3088201613501445
Energy: 1.3178896168931535
Energy: 1.4539363678279213
Energy: 1.8329160868094971
Energy: 1.4652776063016137
Energy: 1.3193411994695665
Energy: 1.3145897602770014
Energy: 1.315509083738247
Energy: 1.6234489111276391
Energy: 1.8360016752485213
Energy: 1.4648590111495163
Energy: 1.4655669708758732
Energy: 1.4949642931018474
Energy: 1.4674806189422813
Energy: 1.629998667686108
Energy: 1.3400900263464106
Energy: 1.465078766419554
Energy: 1.4619072894520428
Energy: 1.3095644360541703
Energy: 1.4750562855688676
Energy: 1.4847550815017438
Energy: 1.4883674266055795
Energy: 1.5586110821268
Energy: 1.4608278363439502
Energy: 1.4555467482072766
Energy: 1.4625417551378392
Energy: 1.5605427250780948
Energy: 1.8390698441242461
Energy: 1.6232500768206248
Energy: 1.529327817423449
Energy: 1.3670121090673077
Energy: 1.6255502521908838
Energy: 1.623821806670982
Energy: 1.320542664494667
Energy: 1.5612234110593717
Energy: 1.6874960764639564
Energy: 1.5444947375502154
Energy: 1.6462945659274355
Energy: 1.559676391731446
Energy: 1.3045778313258816
Energy: 1.2933286043942163
Energy: 1.634596635041371
Energy: 1.54556273447817
Energy: 1.5560284092601033
Energy: 1.293190026333197
Energy: 1.2902240796285587
Energy: 1.2956267265130568
Energy: 1.5877341285617819
Energy: 1.3664158253971932
Energy: 1.3005266355699174
Energy: 1.2935911024224225
Energy: 1.2995365139824988
Energy: 1.2933712560606865
Energy: 1.6244902870450877
Energy: 1.315919749033369
Energy: 1.41575716801148
Energy: 1.292129733934213
Energy: 1.3779667123805124
Energy: 1.5424809405830326
Energy: 1.718218945005772
Energy: 1.6247904518502558
Energy: 1.54585021273231
Energy: 1.3017521371687004
Energy: 1.6678018010309363
Energy: 1.6244774001250344
Energy: 1.6242769003005528
Energy: 1.370715337694952
Energy: 1.6250507442118556
Energy: 1.6434910659910573
Energy: 1.4916769377715389
Energy: 1.6471274137026584
Energy: 1.4666491444415628
Energy: 1.5064575592223106
Energy: 1.503077493815282
Energy: 1.5560032307957212
Energy: 1.4838230388769509
Energy: 1.5094114912822822
Energy: 1.4612798003373593
Energy: 1.3097132103606515
Energy: 1.4617471937242683
Energy: 1.5766502103584292
Energy: 1.6572747843774014
Energy: 1.4698853831193908
Energy: 1.4659020582494087
Energy: 1.5004160162479259
Energy: 1.4641587095362272
Energy: 1.5733148216730157

minimum gb energy = 1.28879867632584 eV
minimum distance =  2.16862215765819 Angstroms
sigma value = 57


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

Energy: 1.8174987674633942
Energy: 1.7116321523448232
Energy: 1.4899185977725506
Energy: 1.5559712626228879
Energy: 1.7248996129343237
Energy: 1.6873679942510909
Energy: 1.367516494663314
Energy: 1.5546290299560643
Energy: 1.3935278341049895
Energy: 1.3698113661730453
Energy: 1.399666085386903
Energy: 1.5474875261034797
Energy: 1.4595828146798606
Energy: 1.5160917373309746
Energy: 1.3823580113708174
Energy: 1.3557887380221074
Energy: 1.3869602373163035
Energy: 1.6319610722069982
Energy: 1.7917303857855984
Energy: 1.7100984581495535
Energy: 1.4007693177876035
Energy: 1.3839131464929861
Energy: 1.4181753994242534
Energy: 1.7051839799626032
Energy: 1.6594088919987928
Energy: 1.634008197773528
Energy: 1.6951008434218597
Energy: 1.3539619554268454
Energy: 1.691796075848732
Energy: 1.6255259448303938
Energy: 1.3634853972390255
Energy: 1.367537273093042
Energy: 1.7034771190656495
Energy: 1.5326396669790594
Energy: 1.6344412903946908
Energy: 1.3730630343630361
Energy: 1.3566048665231134
Energy: 1.3890373227604524
Energy: 1.7159026339883745
Energy: 1.7702246227282283
Energy: 1.569582528226578
Energy: 1.3760161529425534
Energy: 1.3500056226673784
Energy: 1.3782821366768527
Energy: 1.5690250149609517
Energy: 1.3765803199288327
Energy: 1.3711303792879215
Energy: 1.3654938129288792
Energy: 1.3594461547513175
Energy: 1.3932518967702348
Energy: 1.6375133373639497
Energy: 1.7213166146910144
Energy: 1.5082663132253276
Energy: 1.3913500196490705
Energy: 1.3555503068446795
Energy: 1.5103429474153551
Energy: 1.528323368290569
Energy: 1.5121775331894851
Energy: 1.5039110900712755
Energy: 1.4986107485441067
Energy: 1.5084480545844567
Energy: 1.5017235483551699
Energy: 1.6331828663568817
Energy: 1.4940770281510976
Energy: 1.5261338724717821
Energy: 1.4957047321006798
Energy: 1.3723973492931134
Energy: 1.5127448225242714
Energy: 1.6022696086035932
Energy: 1.3121616734994097
Energy: 1.6012858426748633
Energy: 1.5298815844539984
Energy: 1.4056200745587868
Energy: 1.5916905282833687
Energy: 1.5945144807046772
Energy: 1.3149699744254675
Energy: 1.5950505165427133
Energy: 1.711250765532598
Energy: 1.9425178900948967
Energy: 1.8223680014038635
Energy: 1.6743390993656229
Energy: 1.4545458459150735
Energy: 1.7950974971650961
Energy: 1.803421402899436
Energy: 1.3613388516875666
Energy: 1.661178350834698
Energy: 1.4384314311741941
Energy: 1.3075782608816788
Energy: 1.426467965924939
Energy: 1.6481501192137655
Energy: 1.3831105410055888
Energy: 1.482014359592321
Energy: 1.4233995910275068
Energy: 1.417442903962266
Energy: 1.4157523189610255
Energy: 1.672234125421558
Energy: 1.7904049293444695
Energy: 1.6724473327160543
Energy: 1.4520934181248686
Energy: 1.4841363608338287
Energy: 1.449481173032582
Energy: 1.6499317490937124
Energy: 1.3545582362512838
Energy: 1.6483675121938677
Energy: 1.6725594804813502
Energy: 1.3889472933123894
Energy: 1.6616095012795629
Energy: 1.6818692946884994
Energy: 1.3484823426067054
Energy: 1.6471917320944864
Energy: 1.7015610542955313
Energy: 1.7057801538929285
Energy: 1.6508212977589831
Energy: 1.3581442383465876
Energy: 1.347115912716767
Energy: 1.3508138375420904
Energy: 1.645063522042898
Energy: 1.6914935846748054
Energy: 1.6810192759130527
Energy: 1.366096025672482
Energy: 1.360975149463239
Energy: 1.3827235457045193
Energy: 1.4615616064355237
Energy: 1.3940709600913712
Energy: 1.3706309592456936
Energy: 1.3813958646502025
Energy: 1.3702890247265407
Energy: 1.3695620793177257
Energy: 1.7014739907479295
Energy: 1.784201957046952
Energy: 1.473301490603606
Energy: 1.3946168712734355
Energy: 1.4651865429035618
Energy: 1.4694352065330243
Energy: 1.5497191235609233
Energy: 1.3496279319736344
Energy: 1.5831414615184463
Energy: 1.4701118936376043
Energy: 1.5096455716862454
Energy: 1.5437321710827625
Energy: 1.6160949289151276
Energy: 1.3878689824964066
Energy: 1.5489847081659427
Energy: 1.5404495935695133
Energy: 1.460003222360753
Energy: 1.5577544417345883
Energy: 1.5520803088700623
Energy: 1.375071333716619
Energy: 1.5960510039465112
Energy: 1.47662725535437
Energy: 1.3786642141249519
Energy: 1.548299579966908
Energy: 1.5461817866850516
Energy: 1.374848612563252
Energy: 1.5516824877960524
Energy: 1.6657164346775246
Energy: 1.8116554320163143
Energy: 1.5748516804284844
Energy: 1.6275858328555024
Energy: 1.3887561544192895
Energy: 1.5923246871246475
Energy: 1.6094553709240544

minimum gb energy = 1.3075782608816788 eV
minimum distance =  2.17197289746739 Angstroms
sigma value = 43


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

Energy: 1.403553764357719
Energy: 1.3977537624827494
Energy: 1.3874213540673177
Energy: 1.3815871658911036
Energy: 1.6335887841769121
Energy: 1.7532693945643782
Energy: 1.4075613012986907
Energy: 1.3836807095270434
Energy: 1.380394356122037
Energy: 1.3715179563705941
Energy: 1.3901715705231261
Energy: 1.5300195084870203
Energy: 1.5124474239860055
Energy: 1.6954322539359954
Energy: 1.3815308174877248
Energy: 1.3731701554375355
Energy: 1.3818135203725095
Energy: 1.6652655569190518
Energy: 1.612647554662193
Energy: 1.6686395661373052
Energy: 1.3951257397150512
Energy: 1.391012603915727
Energy: 1.5483686074615226
Energy: 1.6658089897053838
Energy: 1.6118257563391145
Energy: 1.6648489794870143
Energy: 1.6621731088583902
Energy: 1.4087728154355967
Energy: 1.663353821024173
Energy: 1.6654878303227896
Energy: 1.3595266586755066
Energy: 1.3684725510103746
Energy: 1.7587544361032768
Energy: 1.325711401510547
Energy: 1.5834225016159125
Energy: 1.3691420532572067
Energy: 1.3420307157196634
Energy: 1.3531380692510038
Energy: 1.6624945250725311
Energy: 1.449132821075295
Energy: 1.345252399067967
Energy: 1.3489167731122045
Energy: 1.3424634646368876
Energy: 1.3428187292153952
Energy: 1.5463263382661299
Energy: 1.4469190785800154
Energy: 1.3479071376374945
Energy: 1.345182270580054
Energy: 1.3650325245786359
Energy: 1.3693565058362251
Energy: 1.6664873995300922
Energy: 1.5325765385682604
Energy: 1.7178666052894924
Energy: 1.3598444562182466
Energy: 1.7168800042752845
Energy: 1.665789243077188
Energy: 1.6657050103819269
Energy: 1.4465357674686672
Energy: 1.6618386050045477
Energy: 1.6658615408184814
Energy: 1.8285372122449386
Energy: 1.6618368685991545
Energy: 1.3908753619393255
Energy: 1.390517016933751
Energy: 1.537897904082212
Energy: 1.6158593149768654
Energy: 1.6158599256730064
Energy: 1.6946405301349732
Energy: 1.3776114444739256
Energy: 1.3753858881767211
Energy: 1.3780051155131896
Energy: 1.6655041624391997
Energy: 1.5145085893813708
Energy: 1.3720377196528506
Energy: 1.374055513552155
Energy: 1.3727785801396315
Energy: 1.373294610706198
Energy: 1.5805025900716456
Energy: 1.6122113639782014
Energy: 1.5618139430040288
Energy: 1.390846643065279
Energy: 1.3891336601823403
Energy: 1.3972783715841934
Energy: 1.5728483793862038
Energy: 1.449627318118627
Energy: 1.5257519352457392
Energy: 1.5292290731368965
Energy: 1.374802009377413
Energy: 1.5273607967752447
Energy: 1.527550628053202
Energy: 1.615618579561857
Energy: 1.5254082266200497
Energy: 1.5268039221980074
Energy: 1.3726318975049292
Energy: 1.5268933410312884
Energy: 1.5257341902692836
Energy: 1.6149611353486937
Energy: 1.5289449112204068
Energy: 1.5278665770199602
Energy: 1.5136959327609119
Energy: 1.4882718255640988
Energy: 1.52403572321872
Energy: 1.6135182181674028
Energy: 1.5265395716248003
Energy: 1.5258156402147236
Energy: 1.40790979642499
Energy: 1.5264896005470643
Energy: 1.5272396537717345
Energy: 1.567829867418073
Energy: 1.634853573019366
Energy: 1.3774331866758118
Energy: 1.7514984436251373
Energy: 1.3758756323216677
Energy: 1.3821708332500044
Energy: 1.3707677184066938
Energy: 1.3982662785799764
Energy: 1.5276228770234854
Energy: 1.407544121994907
Energy: 1.3809935448298758
Energy: 1.3749871629169719
Energy: 1.3712778962708676
Energy: 1.3768013007295972
Energy: 1.6874025881441481
Energy: 1.5150472505141286
Energy: 1.3770587098199638
Energy: 1.3779290376038278
Energy: 1.3895986744839917
Energy: 1.3942250811365144
Energy: 1.666089522117752
Energy: 1.4697841853319975
Energy: 1.6608406403051146
Energy: 1.3941349383770263
Energy: 1.4082675152659334
Energy: 1.661446389573937
Energy: 1.6666456250654635
Energy: 1.3758729018832
Energy: 1.666550061983742
Energy: 1.6606703280825228
Energy: 1.8222722952013617
Energy: 1.5838483372297707
Energy: 1.3720807615487929
Energy: 1.3677246597382817
Energy: 1.5831063827701255
Energy: 1.7615345357907009
Energy: 1.4540908672663686
Energy: 1.546614777435156
Energy: 1.3453279564495944
Energy: 1.3435641504781337
Energy: 1.344760449669015
Energy: 1.6977301276396055
Energy: 1.4466788450994286
Energy: 1.5455531954078687
Energy: 1.3443877252910914
Energy: 1.3435929078610194
Energy: 1.3458531482789597
Energy: 1.7509674377194393
Energy: 1.6071773861415781
Energy: 1.666656258899254
Energy: 1.371683270066242
Energy: 1.3610622526915037
Energy: 1.3668469306044182
Energy: 1.6406358082267058
Energy: 1.5457800806422828
Energy: 1.6622988678411739
Energy: 1.6661714083489063
Energy: 1.3770655744603775
Energy: 1.6649367195376477
Energy: 1.6619152706549392
Energy: 1.3883337635962827
Energy: 1.397818393786693
Energy: 1.6693457048730143
Energy: 1.6203046675187511
Energy: 1.6934746774150122
Energy: 1.3896180626523722
Energy: 1.3749772523863901
Energy: 1.3888983364565788
Energy: 1.664222285433571
Energy: 1.6150691862959374
Energy: 1.5636132997341057
Energy: 1.3768926005898396
Energy: 1.3713350422861459
Energy: 1.3735240021249306
Energy: 1.5288960115145427
Energy: 1.4123239145964956
Energy: 1.3735435505370648
Energy: 1.3754169357079804
Energy: 1.3910279352232762
Energy: 1.389851657979148
Energy: 1.7218843608099947
Energy: 1.5061880933058571
Energy: 1.3918712592235831
Energy: 1.394659605875051
Energy: 1.6240216428070846
Energy: 1.529797560394238
Energy: 1.525977235701325
Energy: 1.4439802413953489
Energy: 1.5264838480701226
Energy: 1.528509402162148
Energy: 1.404118792551425
Energy: 1.5280570767745372
Energy: 1.5281686568845656
Energy: 1.6181285648677597
Energy: 1.5897623548384636
Energy: 1.5249558764119124
Energy: 1.5127885013943536
Energy: 1.5258449227403643
Energy: 1.5271612860621848
Energy: 1.3738699618311898
Energy: 1.5260171521557186
Energy: 1.5476849281560954
Energy: 1.4155405086292585
Energy: 1.526956482635884
Energy: 1.528772162470831
Energy: 1.3774021256713718
Energy: 1.526237584282698
Energy: 1.5809089611849327

minimum gb energy = 1.325711401510547 eV
minimum distance =  2.20180358908008 Angstroms
sigma value = 81


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

Energy: 1.3460196414320929
Energy: 1.6250990472062068
Energy: 1.5584320259742774
Energy: 1.5600072729101346
Energy: 1.623425369199361
Energy: 1.3732257975734834
Energy: 1.397659254240508
Energy: 1.432034431716065
Energy: 1.3796555615137456
Energy: 1.3811683627971232
Energy: 1.3903962295737808
Energy: 1.4312279910771586
Energy: 1.4414617448434264
Energy: 1.4329684249157786
Energy: 1.3770909421703272
Energy: 1.381310523465035
Energy: 1.3798227579299756
Energy: 1.4307434815859184
Energy: 1.44027993552312
Energy: 1.4308101471987034
Energy: 1.3797621687646526
Energy: 1.3797292792763154
Energy: 1.4318009090168993
Energy: 1.4356857323933678
Energy: 1.4391131427230925
Energy: 1.4344935892384796
Energy: 1.4307826461845568
Energy: 1.3728911373359396
Energy: 1.4342028079334956
Energy: 1.4334071363328338
Energy: 1.3956958496284397
Energy: 1.5556255078840155
Energy: 1.373990706951343
Energy: 1.3533895930713706
Energy: 1.4313724959149121
Energy: 1.3851412688564628
Energy: 1.391388687704368
Energy: 1.3977395520550464
Energy: 1.4302209534546697
Energy: 1.3776108994964782
Energy: 1.56225275032885
Energy: 1.3834692569691054
Energy: 1.3916290287048219
Energy: 1.3781553174964922
Energy: 1.4305655050631654
Energy: 1.432309154872199
Energy: 1.432476211477133
Energy: 1.3870117747565425
Energy: 1.5638161701989384
Energy: 1.3796793709577981
Energy: 1.4315101392576473
Energy: 1.4369395011107966
Energy: 1.4339637589114467
Energy: 1.3818921746467994
Energy: 1.3818144800885728
Energy: 1.4306537453733938
Energy: 1.4308401771991137
Energy: 1.4308614972261633
Energy: 1.4341661459112796
Energy: 1.430468753931671

minimum gb energy = 1.3460196414320929 eV
minimum distance =  2.24527651843934 Angstroms
sigma value = 3


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

Energy: 1.6522707003790644
Energy: 1.4279112818268453
Energy: 1.6225088006479533
Energy: 1.6311773118168273
Energy: 1.5055759345332174
Energy: 1.6033822839769756
Energy: 1.5245832396482117
Energy: 1.4437566718579635
Energy: 1.5244328695558564
Energy: 1.5041845871578952
Energy: 1.4431174092568164
Energy: 1.474873797170701
Energy: 1.5207474700306787
Energy: 1.4241431349803304
Energy: 1.5280975224305073
Energy: 1.5020533846232906
Energy: 1.4412897566400393
Energy: 1.5178012642338965
Energy: 1.4990761056214097
Energy: 1.5313951410690039
Energy: 1.5006294349353557
Energy: 1.504042867850622
Energy: 1.5283609229635988
Energy: 1.529041080967308
Energy: 1.5017904448530615
Energy: 1.5315053028303438
Energy: 1.3565855803184579
Energy: 1.5522064443249926
Energy: 1.5296635596947314
Energy: 1.5000689416185382
Energy: 1.566284126416284
Energy: 1.5642844576464556
Energy: 1.3362002641562487
Energy: 1.5562224482252154
Energy: 1.5018053151935962
Energy: 1.5669205848679388
Energy: 1.6198937396733064
Energy: 1.5310210397282906
Energy: 1.650541020403985
Energy: 1.504349467854232
Energy: 1.656206670302865
Energy: 1.533078482798584
Energy: 1.620024765292654
Energy: 1.6330719205780075
Energy: 1.3543457386627624
Energy: 1.3513550613838459
Energy: 1.3502496857108088
Energy: 1.5280215068309388
Energy: 1.7191189705988308
Energy: 1.3500129870897135
Energy: 1.3534479583633494
Energy: 1.345836693733865
Energy: 1.3600250330237096
Energy: 1.6256257174825086
Energy: 1.717275632390445
Energy: 1.364958580009973
Energy: 1.3677044998189096
Energy: 1.3511223737964193
Energy: 1.34800356108689
Energy: 1.6974052350531819
Energy: 1.6007208366767536
Energy: 1.5747692075614457
Energy: 1.570604080514505
Energy: 1.353762448094651
Energy: 1.474800208893669
Energy: 1.7597334162970901
Energy: 1.7257209311330663
Energy: 1.767272822167421
Energy: 1.35197183186065
Energy: 1.6262271472838659
Energy: 1.7216474775153954
Energy: 1.7364034617447714
Energy: 1.3857211473589341
Energy: 1.4421054471146937
Energy: 1.4601106669463937
Energy: 1.7240320551610235
Energy: 1.5179369296742924
Energy: 1.38575015505093
Energy: 1.383181050019785
Energy: 1.4401979842632902
Energy: 1.474498922387274
Energy: 1.6223990827899422
Energy: 1.356436524254907
Energy: 1.4135254231047172
Energy: 1.3931462650759665
Energy: 1.3265871576131885
Energy: 1.3557248161868705
Energy: 1.6224207552951133
Energy: 1.4848230056555265
Energy: 1.3888440416655108
Energy: 1.3920750450690837
Energy: 1.6862468091817433
Energy: 1.6820023160861373
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Energy: 1.6796260918418802
Energy: 1.6619653754008905
Energy: 1.7068053368636331
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Energy: 1.6883054755814884
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Energy: 1.6886018711026218
Energy: 1.3414608557690797
Energy: 1.7447393435527485
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Energy: 1.4852616052109646
Energy: 1.4163443124109998
Energy: 1.3578627060858681
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Energy: 1.57395948022884
Energy: 1.457835299000764
Energy: 1.469961753320524
Energy: 1.4666983221538668
Energy: 1.47096606683454
Energy: 1.5509511172809949
Energy: 1.5504960591063042
Energy: 1.321634457700396
Energy: 1.3588432062265707
Energy: 1.4903594293819187
Energy: 1.470392571210468
Energy: 1.5977648286074544
Energy: 1.5457722079505882
Energy: 1.6008119500862932
Energy: 1.51472270427394
Energy: 1.4188031432912716
Energy: 1.6022868608183871
Energy: 1.6034350649112656
Energy: 1.5485865717046934
Energy: 1.5447165913165846
Energy: 1.3363972527640195
Energy: 1.5261191341529965
Energy: 1.5266133478929789
Energy: 1.5457932145141857
Energy: 1.7115298396524117
Energy: 1.6819651797670112
Energy: 1.5008947892769815
Energy: 1.5513910001600884
Energy: 1.6863983914669114
Energy: 1.6813927877209125
Energy: 1.6206930463141596
Energy: 1.726693017748149
Energy: 1.3590576172009736
Energy: 1.3526114497394632
Energy: 1.5084344082894396
Energy: 1.7085735388234593
Energy: 1.7119893054986086
Energy: 1.4163445849309597
Energy: 1.3528633937870944
Energy: 1.3470788769613602
Energy: 1.349591846089976
Energy: 1.719974193778589
Energy: 1.705479745348432
Energy: 1.3503026849306137
Energy: 1.3650850947169613
Energy: 1.3493631231144934
Energy: 1.3570826706893258
Energy: 1.5275832181660693
Energy: 1.5977098366352136
Energy: 1.4696407514279393
Energy: 1.3536735218556646
Energy: 1.3539033626584962
Energy: 1.4491363217655238
Energy: 1.7577378682164753
Energy: 1.7060926438853563
Energy: 1.5543542875951744
Energy: 1.4868412947269323
Energy: 1.7348739109352034
Energy: 1.4782491062802174
Energy: 1.7088556155569072
Energy: 1.339084483822141
Energy: 1.3589045512021276
Energy: 1.6628776745143576
Energy: 1.7253047291142853
Energy: 1.5918924512688104
Energy: 1.3404362537801306
Energy: 1.3377185361414619
Energy: 1.3591676758810343
Energy: 1.3665536754640044
Energy: 1.709981976963185
Energy: 1.3644400557685359
Energy: 1.351098611414964
Energy: 1.3386387239630295
Energy: 1.3582809116455872
Energy: 1.555973630018499
Energy: 1.710562106987119
Energy: 1.3656360029421482
Energy: 1.3499991279810295
Energy: 1.3404082250143485
Energy: 1.4529157123743024
Energy: 1.7479337972115283
Energy: 1.741130103669036
Energy: 1.6556264039378903
Energy: 1.3436805340472822
Energy: 1.5923081389723526
Energy: 1.6198986806775024
Energy: 1.5134909910468082
Energy: 1.7107458655918846
Energy: 1.4361180455764877
Energy: 1.6950806141956096

minimum gb energy = 1.321634457700396 eV
minimum distance =  2.19153676700459 Angstroms
sigma value = 67


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

Energy: 2.022291709833285
Energy: 1.8345634594657823
Energy: 1.5853690293501017
Energy: 1.55125007905138
Energy: 1.5477679886879314
Energy: 1.4662985334956615
Energy: 1.5063994372996865
Energy: 1.402211607711843
Energy: 1.5092384362902083
Energy: 1.5019319968448643
Energy: 1.4974053580001292
Energy: 1.5808471722031163
Energy: 1.5023049026354705
Energy: 1.3568569575983491
Energy: 1.5475056887422212
Energy: 1.5047050155475707
Energy: 1.403825024399567
Energy: 1.5033242658331782
Energy: 1.5157532695168452
Energy: 1.5532074271630398
Energy: 1.430593368821555
Energy: 1.4402543390851346
Energy: 1.3892099861532816
Energy: 1.5447757770961676
Energy: 1.5042128675937179
Energy: 1.5647745320997715
Energy: 1.5987267246784267
Energy: 1.4514230059149957
Energy: 1.5974046374376654
Energy: 1.5291381903823735
Energy: 1.548375157002823
Energy: 1.5588055351344579
Energy: 1.8589447630517952
Energy: 1.403210675817998
Energy: 1.5150138018592731
Energy: 1.5555856498600473
Energy: 1.7339873618005137
Energy: 1.5553356373856828
Energy: 1.7612306183418938
Energy: 1.4259024328986092
Energy: 1.5633563289169563
Energy: 1.5509848321645028
Energy: 1.6649542829187005
Energy: 1.552844573409966
Energy: 1.400270474395692
Energy: 1.382680998500955
Energy: 1.384076051948847
Energy: 1.7902520794568024
Energy: 1.6476948281296016
Energy: 1.2806666464249445
Energy: 1.3947654241738396
Energy: 1.379008311319639
Energy: 1.4025825679373585
Energy: 1.594640260389527
Energy: 1.5922944158208912
Energy: 1.4487536988691536
Energy: 1.4475441644656046
Energy: 1.3789687412365599
Energy: 1.286466431185885
Energy: 1.3493849740199977
Energy: 1.5920105661507098
Energy: 1.7379816154042145
Energy: 1.7472187715457075
Energy: 1.468223283747103
Energy: 1.7478857315800225
Energy: 1.467516220925882
Energy: 1.59236293311286
Energy: 1.6027179713843678
Energy: 1.2803769321880172
Energy: 1.6809237057690845
Energy: 1.2835661344671119
Energy: 1.497670024000749
Energy: 1.3958991788175175
Energy: 1.2794814345726897
Energy: 1.2796525879057556
Energy: 1.6551028588858165
Energy: 1.2798732586842203
Energy: 1.2781441029145317
Energy: 1.390117428510564
Energy: 1.4517798703666214
Energy: 1.4503383282848352
Energy: 1.5646318579842606
Energy: 1.4503665197769542
Energy: 1.451516709820913
Energy: 1.3870588742571985
Energy: 1.443511487436183
Energy: 1.6562024706836236
Energy: 1.5681010442122623
Energy: 1.4714056039560317
Energy: 1.2801584286848833
Energy: 1.389178264183726
Energy: 1.4389346083358936
Energy: 1.6234360641949348
Energy: 1.5683913389920194
Energy: 1.618669898757204
Energy: 1.3886602965643253
Energy: 1.6916776111201726
Energy: 1.4813590641461747
Energy: 1.600808945693129
Energy: 1.5762057924086865
Energy: 1.5693997511834665
Energy: 1.7487558148908249
Energy: 1.6913424722213637
Energy: 1.4791015427342007
Energy: 1.7613865618465556
Energy: 1.6620530739617732
Energy: 1.5613357531930179
Energy: 1.3184975115997877
Energy: 1.3222209796772135
Energy: 1.3144021585842538
Energy: 1.788793435409472
Energy: 1.7892295542090417
Energy: 1.842691182957234
Energy: 1.3442304545257746
Energy: 1.3099786299331302
Energy: 1.3216491662953687
Energy: 1.318181732669311
Energy: 1.6706446220479758
Energy: 1.3359275453667587
Energy: 1.3250242457280745
Energy: 1.3156915175736608
Energy: 1.322522949926613
Energy: 1.4215877653049531
Energy: 1.6501396278461435
Energy: 1.3229296921946099
Energy: 1.3248882502249137
Energy: 1.3219624481191257
Energy: 1.3757605100928645
Energy: 1.841823170185094
Energy: 1.502974482504653
Energy: 1.688000958469103
Energy: 1.3531400692611826
Energy: 1.6017732558345164
Energy: 1.449085001103495
Energy: 1.5016137715566196
Energy: 1.7231204438265084
Energy: 1.4046758641607215
Energy: 1.4032180693381502

minimum gb energy = 1.2781441029145317 eV
minimum distance =  2.22661803402386 Angstroms
sigma value = 33


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

Energy: 1.8575604048738652
Energy: 1.7436466753182647
Energy: 1.5932718872500313
Energy: 1.595384771557733
Energy: 1.587476456872029
Energy: 1.8777029160956409
Energy: 1.34459848301311
Energy: 1.4109604680317873
Energy: 1.591548796291423
Energy: 1.5550146068467292
Energy: 1.476744482049811
Energy: 1.4770081910043487
Energy: 1.3484440366391979
Energy: 1.3736195470306245
Energy: 1.586324914791149
Energy: 1.463293893197923
Energy: 1.4730990848398224
Energy: 1.3468892354683752
Energy: 1.334466474718986
Energy: 1.362946460410832
Energy: 1.3681918422577497
Energy: 1.5540106852368567
Energy: 1.34300166529356
Energy: 1.3605093949649363
Energy: 1.3466570290992934
Energy: 1.3374176349230322
Energy: 1.4807509737756948
Energy: 1.4798767173560599
Energy: 1.4071868850693772
Energy: 1.3484551797602802
Energy: 1.3475111858882989
Energy: 1.508660314075139
Energy: 1.6986839397537359
Energy: 1.624836876559447
Energy: 1.6861044863153818
Energy: 1.3653116108176215
Energy: 1.6065452916422907
Energy: 1.378375201821587
Energy: 1.6934405176146716
Energy: 1.4832441736120556
Energy: 1.6649722076559756
Energy: 1.437964548433095
Energy: 1.6060547737764217
Energy: 1.3666510094439295
Energy: 1.341158682171828
Energy: 1.3465229362308442
Energy: 1.3327035115577415
Energy: 1.489864545597207
Energy: 1.584235062098948
Energy: 1.2458902372785066
Energy: 1.3705343951895494
Energy: 1.3321661597351833
Energy: 1.3636587325741225
Energy: 1.5306957757803799
Energy: 1.5466794861256221
Energy: 1.3633362645931382
Energy: 1.3755650613895758
Energy: 1.3337000033417348
Energy: 1.3397922939403057
Energy: 1.5476214003805877
Energy: 1.5464168644698781
Energy: 1.6424784444310718
Energy: 1.359844859668262
Energy: 1.351360039360909
Energy: 1.4388156129712695
Energy: 1.6389471668017468
Energy: 1.5531713899281097
Energy: 1.548488031298777
Energy: 1.2436885037129413
Energy: 1.4889758609711492
Energy: 1.3403382603508969
Energy: 1.5497034958022793
Energy: 1.6835921211168585
Energy: 1.7574670113097774
Energy: 1.2454794188816103
Energy: 1.4884237463416328
Energy: 1.240598935103594
Energy: 1.6209390820731049
Energy: 1.6916975762141706
Energy: 1.8384177437075513
Energy: 1.2453369890504336
Energy: 1.2377789702292328
Energy: 1.3417569269435146
Energy: 1.7833092439526081
Energy: 1.658929805544894
Energy: 1.2487376423827625
Energy: 1.252058519443291
Energy: 1.2437288318498685
Energy: 1.2538562367310007
Energy: 1.5634191978160537
Energy: 1.6436510979796797
Energy: 1.2380619736080278
Energy: 1.2417487504817455
Energy: 1.2340847692742418
Energy: 1.2631679654465613
Energy: 1.6237319886655985
Energy: 1.5585088150586515
Energy: 1.6610645327059574
Energy: 1.2663394531845173
Energy: 1.24457128866129
Energy: 1.274254420560597
Energy: 1.638344464612214
Energy: 1.6835552008797265
Energy: 1.4756304870420396
Energy: 1.475026604653456
Energy: 1.3490013094312727
Energy: 1.6608997502501623
Energy: 1.5480142651064777
Energy: 1.5851553265647882
Energy: 1.5926875320905165
Energy: 1.4512205563666407
Energy: 1.8754071839518063
Energy: 1.7259456633258083
Energy: 1.566232280635655
Energy: 1.5521492578979839
Energy: 1.4841876631737514
Energy: 1.4134986876940223
Energy: 1.4443222241284384
Energy: 1.4799710743730898
Energy: 1.5487606435944217
Energy: 1.4313898502977636
Energy: 1.5865649528704222
Energy: 1.245942938850285
Energy: 1.3500430829157697
Energy: 1.4380296579845755
Energy: 1.6302513328084827
Energy: 1.5548406707618265
Energy: 1.3612915698888037
Energy: 1.363546366713536
Energy: 1.364495181724799
Energy: 1.3620970616142318
Energy: 1.5505497000925552
Energy: 1.4819784824072826
Energy: 1.363477621395358
Energy: 1.3460884281066934
Energy: 1.3465960785054325
Energy: 1.383327516404819
Energy: 1.6659377688241146
Energy: 1.6778521816432306
Energy: 1.8287318685360892
Energy: 1.36718515769788
Energy: 1.3531327112560594
Energy: 1.339360780419258
Energy: 1.8333469833522014
Energy: 1.4824558741520106
Energy: 1.682590626395043
Energy: 1.3547198013881778
Energy: 1.511403804269226
Energy: 1.3758003275910438
Energy: 1.6723211744993902
Energy: 1.3489050158551537
Energy: 1.347257462253339
Energy: 1.8749444208328048
Energy: 1.6908856152294902
Energy: 1.3144327171782093
Energy: 1.3477422295683155
Energy: 1.3333207630248927
Energy: 1.3598037897442026
Energy: 1.417480214547677
Energy: 1.582879257682085
Energy: 1.3763103195751123
Energy: 1.3633820219791877
Energy: 1.3323929084252737
Energy: 1.3385147663100114
Energy: 1.4854770468879048
Energy: 1.5477311186689182
Energy: 1.3614712888883338
Energy: 1.3652746250089889
Energy: 1.3465705608248726
Energy: 1.377610351825254
Energy: 1.632572254121817
Energy: 1.6397947806439785
Energy: 1.6453445987680446
Energy: 1.3432878138427786
Energy: 1.5586174181899848
Energy: 1.3376952245685945
Energy: 1.5494388592630608
Energy: 1.549128579909081
Energy: 1.5474635132526378
Energy: 1.3359747987703507
Energy: 1.5504359305011712
Energy: 1.245852449459233
Energy: 1.6215943408797062
Energy: 1.6797949405164985
Energy: 1.7568684086103887
Energy: 1.3550761708583379
Energy: 1.34868854542479
Energy: 1.4502425067854197
Energy: 1.6382419451058665
Energy: 1.6973400636079445
Energy: 1.6339877406644092
Energy: 1.3475024322796936
Energy: 1.2374837505799878
Energy: 1.254546140818996
Energy: 1.433102762897366
Energy: 1.6583759733209895
Energy: 1.2505704270753586
Energy: 1.2499490409107936
Energy: 1.230579497835261
Energy: 1.2438689132063132
Energy: 1.2479731161527057
Energy: 1.6663156443726495
Energy: 1.2359295575772749
Energy: 1.2374842300788835
Energy: 1.2430255842413431
Energy: 1.2696028151936924
Energy: 1.5899676214468315
Energy: 1.5745965213804483
Energy: 1.364698822331067
Energy: 1.260639381114415
Energy: 1.3403819847250313
Energy: 1.6589392357655353
Energy: 1.6401078044925792
Energy: 1.6853543022066786
Energy: 1.4731264953907244
Energy: 1.3485023429217469
Energy: 1.5958132009429935
Energy: 1.393540026728659
Energy: 1.6234420119529944
Energy: 1.6719428831037186
Energy: 1.7258670987919884
Energy: 1.8772301363466375

minimum gb energy = 1.230579497835261 eV
minimum distance =  2.22111424419331 Angstroms
sigma value = 41


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

Energy: 1.899042051503103
Energy: 1.7537825590482616
Energy: 1.3387539315111512
Energy: 1.354506413789866
Energy: 1.3419745080755447
Energy: 1.75073976068614
Energy: 1.3286091395140607
Energy: 1.0985178684063495
Energy: 1.0981398568476681
Energy: 1.3755681467556062
Energy: 1.1000620666134722
Energy: 1.3643845097458733
Energy: 1.3283950543320329
Energy: 1.1002518262110732
Energy: 1.118124850085397
Energy: 1.03957316548886
Energy: 1.1027362247420358
Energy: 1.3734500114528596
Energy: 1.370974266743994
Energy: 1.4209195867849185
Energy: 1.1001582408658528
Energy: 1.326262513684559
Energy: 1.104233410255852
Energy: 1.4208602282378082
Energy: 1.3269642221485243
Energy: 1.3715913496130925
Energy: 1.4286706439881798
Energy: 1.3325421944198685
Energy: 1.4264857242526268
Energy: 1.3482868724618877
Energy: 1.3370440220772435
Energy: 1.3614652197534676
Energy: 1.730795000264898
Energy: 1.4015107851849609
Energy: 1.730754604253097
Energy: 1.3539006355269467
Energy: 1.5990133322667304
Energy: 1.4266713134573061
Energy: 1.1036656767846897
Energy: 1.340683512408351
Energy: 1.4619707331621108
Energy: 1.6286077064834819
Energy: 1.6001815285037313
Energy: 1.4325002996585894
Energy: 1.354390711162222
Energy: 1.3323395954841395
Energy: 1.1014831203840156
Energy: 1.7567622500909459
Energy: 1.3347662079499834
Energy: 1.102465679365684
Energy: 1.0997068493429019
Energy: 1.0403696188947082
Energy: 1.1075487879724093
Energy: 1.3571184516184647
Energy: 1.3407878605231167
Energy: 1.1048463637982422
Energy: 1.0995812277556325
Energy: 1.3767947434741956
Energy: 1.1022879575378821
Energy: 1.3618078303431354
Energy: 1.3434148061847275
Energy: 1.4279561455314367
Energy: 1.0998101073361586
Energy: 1.3690861816962172
Energy: 1.444019470361086
Energy: 1.420727232753889
Energy: 1.3325005498431994
Energy: 1.3472690970946293
Energy: 1.1013509501113594
Energy: 1.3388783047593302
Energy: 1.1032952714488384
Energy: 1.347515608994877
Energy: 1.3285890625439298
Energy: 1.360745712100814
Energy: 1.1009849126774391
Energy: 1.3862120045541624
Energy: 1.1032002473640405
Energy: 1.3500924736137399
Energy: 1.6005155978321413
Energy: 1.4244032261206394
Energy: 1.3612752262585304
Energy: 1.3671359249418786
Energy: 1.3596028524161123
Energy: 1.7534138400612274

minimum gb energy = 1.03957316548886 eV
minimum distance =  2.22018266547972 Angstroms
sigma value = 11


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

Energy: 1.837024505356255
Energy: 1.6071549390006266
Energy: 1.5057775381642489
Energy: 1.5042836445949914
Energy: 1.491629930162578
Energy: 1.9500349391010288
Energy: 1.2847032563869498
Energy: 1.4605000546075906
Energy: 1.5473120410093522
Energy: 1.6096047030072536
Energy: 1.4530670290654721
Energy: 1.3499149974048277
Energy: 1.2820393974948197
Energy: 1.304988027116683
Energy: 1.6744078925845822
Energy: 1.6534727785753747
Energy: 1.4614916491102827
Energy: 1.288770218643986
Energy: 1.2812697823325354
Energy: 1.305348928719456
Energy: 1.3064715766762267
Energy: 1.5486804555936773
Energy: 1.3057160968867707
Energy: 1.3017557517705578
Energy: 1.280013744360903
Energy: 1.3032271418175652
Energy: 1.3774765914876004
Energy: 1.545461830676107
Energy: 1.3066984344441948
Energy: 1.2987177429777532
Energy: 1.2839461040441744
Energy: 1.372674470380714
Energy: 1.7622823568472386
Energy: 1.6388970843794932
Energy: 1.7629222280256878
Energy: 1.2898830857188583
Energy: 1.3235985564854953
Energy: 1.378019530931436
Energy: 1.5526587917994072
Energy: 1.5509559693147539
Energy: 1.6291582463505059
Energy: 1.4827866697466574
Energy: 1.3552714649188324
Energy: 1.4453436900868952
Energy: 1.5299941955479295
Energy: 1.523058631152926
Energy: 1.5124878750502257
Energy: 1.659968801033403
Energy: 1.2844642480957906
Energy: 1.294792074332405
Energy: 1.4993974646586012
Energy: 1.6888319762144575
Energy: 1.4113544604243984
Energy: 1.2895083471101727
Energy: 1.3820076522643343
Energy: 1.3727507286676528
Energy: 1.377114532826396
Energy: 1.6789717325467464
Energy: 1.4102452269438648
Energy: 1.3840575418949934
Energy: 1.3935377000663622
Energy: 1.4440286568292016
Energy: 1.3707645256763348
Energy: 1.4348341202495707
Energy: 1.447079547218261
Energy: 1.4426099079727612
Energy: 1.3936020973494248
Energy: 1.377002403475448
Energy: 1.4975747342549695
Energy: 1.4515092758095682
Energy: 1.4407739802816095
Energy: 1.3778797248943029
Energy: 1.377166909083957
Energy: 1.503860968742182
Energy: 1.4393171631791433
Energy: 1.445179753653391
Energy: 1.5091446077699775
Energy: 1.3609993705491348
Energy: 1.6485737607712314
Energy: 1.6683569754421232
Energy: 1.4279433591804938
Energy: 1.4119137456567517
Energy: 1.4411453395960152
Energy: 1.5649730527114338
Energy: 1.3978821427508479
Energy: 1.5019805816101583
Energy: 1.3494117031650004
Energy: 1.2588909075649612
Energy: 1.5409677359910825
Energy: 1.483455746489434
Energy: 1.374993756350539
Energy: 1.3767689458466383
Energy: 1.4792659827263106
Energy: 1.9180503894849386
Energy: 1.3266994165041304
Energy: 1.378466059415171
Energy: 1.5053664183729845
Energy: 1.483891193972957
Energy: 1.5365686006268027
Energy: 1.2612628287168328
Energy: 1.5205200596813788
Energy: 1.4824789425028617
Energy: 1.546736777936348
Energy: 1.6797156545075145
Energy: 1.2782979360367221
Energy: 1.2619128986456432
Energy: 1.3291056142122146
Energy: 1.656928036683672
Energy: 1.5050439540250342
Energy: 1.340983893004892
Energy: 1.3392273717391334
Energy: 1.3379553335508925
Energy: 1.3402361338221935
Energy: 1.5273765104290526
Energy: 1.4953216898418007
Energy: 1.3929271101718645
Energy: 1.3509930308787268
Energy: 1.3477389328019287
Energy: 1.3692023907737711
Energy: 1.3815220642494983
Energy: 1.6408816239347297
Energy: 1.7615989983811982
Energy: 1.3553322487143213
Energy: 1.334387868689354
Energy: 1.362571673958788
Energy: 1.7607985228612508
Energy: 1.53285113022682
Energy: 1.5685269081982043
Energy: 1.3929860310355362
Energy: 1.3528643266553697
Energy: 1.4226190372270648
Energy: 1.5682342191910907
Energy: 1.5008071403899295
Energy: 1.4651399114155859
Energy: 1.6600706062812773
Energy: 1.5218038439241859
Energy: 1.671215568753238
Energy: 1.4633145920275872
Energy: 1.66696906861517
Energy: 1.4238114520414336
Energy: 1.3475148173136071
Energy: 1.3323610217565152
Energy: 1.3624856474769627
Energy: 1.3610506467618098
Energy: 1.699073618791304
Energy: 1.3827680859132785
Energy: 1.3625745472380029
Energy: 1.3595553389506219
Energy: 1.3883999636878637
Energy: 1.87822374468902
Energy: 1.3861139177784438
Energy: 1.3997656337280624
Energy: 1.4437483572535839
Energy: 1.3913664148050495
Energy: 1.4441123917944354
Energy: 1.4411395691672615
Energy: 1.3968586429630494
Energy: 1.4609160506766403
Energy: 1.391847312658337
Energy: 1.3903673760916835
Energy: 1.3927182823606408
Energy: 1.4565150096945159
Energy: 1.3970354397913407
Energy: 1.4421344083902454
Energy: 1.333805570407936
Energy: 1.3878874178965803
Energy: 1.4431386676980682
Energy: 1.422457758658399
Energy: 1.3861034917567407
Energy: 1.4030665865739798
Energy: 1.4069451420595145
Energy: 1.598542772364485
Energy: 1.4046229093488276
Energy: 1.3869984918997649
Energy: 1.2840972787004634
Energy: 1.459312991047679
Energy: 1.4535919214205548
Energy: 1.6235558447952094
Energy: 1.4153008862439067
Energy: 1.2816450987981851
Energy: 1.6695215339217226
Energy: 1.6060213551410178
Energy: 1.4529021570166885
Energy: 1.569642813405437
Energy: 1.4501914559007476
Energy: 1.4438293613324442

minimum gb energy = 1.2588909075649612 eV
minimum distance =  2.21976289538991 Angstroms
sigma value = 57


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

Energy: 2.2101779269463915
Energy: 1.912862569752896
Energy: 1.4603725555640554
Energy: 1.4587229187013635
Energy: 1.5568322833089576
Energy: 1.93766874192453
Energy: 1.3199575917302067
Energy: 1.376546648437553
Energy: 1.3764120879588675
Energy: 1.3209878823609875
Energy: 1.3949750282297857
Energy: 1.3843729277546843
Energy: 1.3197169216892508
Energy: 1.339235655127736
Energy: 1.3621916206727425
Energy: 1.3408541930204632
Energy: 1.3615875575318594
Energy: 1.347816477429081
Energy: 1.3177230255419412
Energy: 1.3635862342253309
Energy: 1.5090714762459072
Energy: 1.316256982640659
Energy: 1.3569246398103492
Energy: 1.336571287646419
Energy: 1.3158747047343764
Energy: 1.3516788298782312
Energy: 1.3766659267374175
Energy: 1.3207348004924009
Energy: 1.3743193952506823
Energy: 1.3387683017911276
Energy: 1.31973848385228
Energy: 1.3794725299074542
Energy: 1.65169363908857
Energy: 1.321930126189789
Energy: 1.6481616992213621
Energy: 1.3179173128482307
Energy: 1.390041680822388
Energy: 1.391904530333384
Energy: 1.3395688166826698
Energy: 1.3155463136703973
Energy: 1.3145982056927061
Energy: 1.3614569943640475
Energy: 1.3914320446554287
Energy: 1.3599939124385765
Energy: 1.3185068136174949
Energy: 1.3256928808694837
Energy: 1.3488572149702842
Energy: 1.3836149317444149
Energy: 1.315231828921496
Energy: 1.3342573044199744
Energy: 1.6894355230364402
Energy: 1.3033334936154706
Energy: 1.6429375383348264
Energy: 1.3175107704414377
Energy: 1.3140945574888323
Energy: 1.3342214021676633
Energy: 1.3414003728892099
Energy: 1.3083183937445058
Energy: 1.3918949534196736
Energy: 1.3326437676319056
Energy: 1.3018878314458586
Energy: 1.3611553885399912
Energy: 1.3780762612460964
Energy: 1.3252093276884211
Energy: 1.372044080462957
Energy: 1.3609831904763987
Energy: 1.304280339752876
Energy: 1.3931766523277407
Energy: 1.3383211352696354
Energy: 1.317152018208691
Energy: 1.3686296819351722
Energy: 1.3918506681705372
Energy: 1.3150284003999448
Energy: 1.5064619745961834
Energy: 1.355686615941059
Energy: 1.3348763142952642
Energy: 1.358588761298553
Energy: 1.3281765880753162
Energy: 1.3208852894853595
Energy: 1.3631083962172437
Energy: 1.3155084870868798
Energy: 1.3179543310994015
Energy: 1.3736167915653932
Energy: 1.6440607399504767
Energy: 1.3204971406421033
Energy: 1.3974848512770093
Energy: 1.37266258795118
Energy: 1.3227894195765957
Energy: 1.3777217298020965
Energy: 1.326337369254598
Energy: 1.5336565599084828
Energy: 1.3211619652915554
Energy: 1.3401852601017237
Energy: 1.634396819653102
Energy: 1.3432349313048737
Energy: 1.565662386053013
Energy: 1.3023851612968882
Energy: 1.380977086809915
Energy: 1.376269439394085
Energy: 1.3151874889631927
Energy: 1.394118344693816
Energy: 1.3366181299761788

minimum gb energy = 1.3018878314458586 eV
minimum distance =  2.22471291429153 Angstroms
sigma value = 9


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

Energy: 2.3903369228848255
Energy: 1.5044433439033813
Energy: 1.4773846169014457
Energy: 1.4743589111196878
Energy: 1.4751813456971188
Energy: 2.0364959441977404
Energy: 1.352564050223389
Energy: 1.4586473739053964
Energy: 1.4132354907140736
Energy: 1.3876718820583325
Energy: 1.5349458024007867
Energy: 1.4311347203282554
Energy: 1.3531216924587073
Energy: 1.3570252072979891
Energy: 1.446200465508513
Energy: 1.4442241026620184
Energy: 1.465776194733696
Energy: 1.3553952044253765
Energy: 1.3752344376447114
Energy: 1.4513678641786445
Energy: 1.3828677055483531
Energy: 1.3574559141519824
Energy: 1.4292613312627962
Energy: 1.3798657565650636
Energy: 1.3777833890500586
Energy: 1.3987624391335964
Energy: 1.3851204385984526
Energy: 1.377017601155136
Energy: 1.3833098997648139
Energy: 1.3989089290064198
Energy: 1.3580181804859826
Energy: 1.3852078734057662
Energy: 1.3989641812036124
Energy: 1.3759400217526103
Energy: 1.4151778479221775
Energy: 1.3802258258856266
Energy: 1.3862840874204978
Energy: 1.4682895984524738
Energy: 1.3834220733748024
Energy: 1.389206570627479
Energy: 1.3803018019306008
Energy: 1.4267104610231176
Energy: 1.3862488549956296
Energy: 1.5168962496028193
Energy: 1.3568304250480459
Energy: 1.3533885801578094
Energy: 1.3621566615363672
Energy: 1.5224878380440112
Energy: 1.3594276524946447
Energy: 1.3788326587060125
Energy: 1.517409009980129
Energy: 1.3855541091857029
Energy: 1.5112807630286984
Energy: 1.3578479727963386
Energy: 1.3518499856682622
Energy: 1.3614176740770323
Energy: 1.5193650381188846
Energy: 1.3858311905128016
Energy: 1.511903132233028
Energy: 1.4314461307200055
Energy: 1.3425884578701468
Energy: 1.5157131704548248
Energy: 1.3673495737970704
Energy: 1.3517057162165396
Energy: 1.3562438761251225
Energy: 1.549031502734592
Energy: 1.3478344819388315
Energy: 1.5338989083478023
Energy: 1.3813111112541288
Energy: 1.3882183175542222
Energy: 1.4069712118277586
Energy: 1.4452879274088521
Energy: 1.352121156845457
Energy: 1.3555602863318619
Energy: 1.5219810403715779
Energy: 1.399495078607499
Energy: 1.4682846831138834
Energy: 1.3573104430613698
Energy: 1.38960145347484
Energy: 1.3785487432072685
Energy: 1.461834188074103
Energy: 1.3968328760814264
Energy: 1.4736133814199823
Energy: 1.3808709996637412
Energy: 1.3749090464159257
Energy: 1.4013158611432173
Energy: 1.3880884498473995
Energy: 1.3576427041607995
Energy: 1.3844529317103584
Energy: 1.4010705940533419
Energy: 1.375224887228165
Energy: 1.3853584355620097
Energy: 1.3971049987019462
Energy: 1.4013902097421964
Energy: 1.410108997054054
Energy: 1.3845779847732813
Energy: 1.3576446874132557
Energy: 1.426132563194628
Energy: 1.3777146931452278
Energy: 1.37639293190698
Energy: 1.4592172995846215
Energy: 1.4237094833013875
Energy: 1.3871342313495583
Energy: 1.4725097493229906
Energy: 1.3563274429654517
Energy: 1.3550137930901942
Energy: 1.3586543746635384
Energy: 1.7425631569015503
Energy: 1.394563477581615
Energy: 1.381345355197722
Energy: 1.4935441639155125
Energy: 1.3581965557827267
Energy: 1.529621370636604
Energy: 1.3798363196690744
Energy: 1.3601198214829942
Energy: 1.3597372569855968
Energy: 1.4219487856509474
Energy: 1.7269819520153742
Energy: 1.3684641977870762
Energy: 1.3592565901969413
Energy: 1.3417856196126527
Energy: 1.5370592239069933
Energy: 1.3808416346417403
Energy: 1.3519784735020268
Energy: 1.458750101072195
Energy: 1.379761542826702

minimum gb energy = 1.3417856196126527 eV
minimum distance =  2.23359754253972 Angstroms
sigma value = 27


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

Energy: 1.6305779931579423
Energy: 1.4866900671051493
Energy: 1.488507088038988
Energy: 1.485903469332342
Energy: 1.4879799910016414
Energy: 1.4316511294542742
Energy: 1.3695288067791442
Energy: 1.5258199233190641
Energy: 1.3929827533364938
Energy: 1.381640172837476
Energy: 1.6020675756315488
Energy: 1.439456648007436
Energy: 1.3686174750548468
Energy: 1.3799072856318133
Energy: 1.5884169803520563
Energy: 1.5876076024029293
Energy: 1.4796109085045608
Energy: 1.379780679512953
Energy: 1.370012652568706
Energy: 1.4983480642745068
Energy: 1.5248993335798935
Energy: 1.3833304345072142
Energy: 1.5134311177348165
Energy: 1.4298546352890351
Energy: 1.3806232995402405
Energy: 1.480532448151464
Energy: 1.3965452802377722
Energy: 1.3957253072096931
Energy: 1.3975621279621557
Energy: 1.4705243821769705
Energy: 1.3615224850042582
Energy: 1.4977862278310856
Energy: 1.418262630453311
Energy: 1.3895441584395514
Energy: 1.4210016219291217
Energy: 1.3777671532882219
Energy: 1.373802565379549
Energy: 1.4470761660953373
Energy: 1.4023312109631263
Energy: 1.4089054906838911
Energy: 1.4020819490083993
Energy: 1.4769478379730587
Energy: 1.374347532433289
Energy: 1.4739605188859408
Energy: 1.4830927307985058
Energy: 1.3808399900836228
Energy: 1.4225811074534933
Energy: 1.4775749140397179
Energy: 1.3583091682481119
Energy: 1.3751825407451526
Energy: 1.5270021009205605
Energy: 1.3783111079290804
Energy: 1.518156456341421
Energy: 1.3783787160018788
Energy: 1.3460176197619949
Energy: 1.430653243111959
Energy: 1.5373565972903942
Energy: 1.379409177259314
Energy: 1.5381872199394997
Energy: 1.4328970872689246
Energy: 1.3694022068285066
Energy: 1.5126816848416211
Energy: 1.4244582684247122
Energy: 1.406235407226887
Energy: 1.3535180467794565
Energy: 1.5097671980611596
Energy: 1.4005347766653702
Energy: 1.5136312691754221
Energy: 1.3606917938661978
Energy: 1.352139903859545
Energy: 1.4710483032248727
Energy: 1.5147582376135862
Energy: 1.3458378227603873
Energy: 1.349498237553834
Energy: 1.5123601645290001
Energy: 1.3293079836506805
Energy: 1.3343644026917387
Energy: 1.349340116534942
Energy: 1.3500727548798188
Energy: 1.331783308856951
Energy: 1.5184895935245144
Energy: 1.3509183450946565
Energy: 1.521161316195099
Energy: 1.3669192176773945
Energy: 1.3590590992113287
Energy: 1.5123363257270932
Energy: 1.3686337732950389
Energy: 1.35014560028962
Energy: 1.3681947062260378
Energy: 1.5871961796603884
Energy: 1.3587964163357562
Energy: 1.4752209234764386
Energy: 1.3689596525251817
Energy: 1.452765704845512
Energy: 1.4495525510371243
Energy: 1.4038728287722206
Energy: 1.3464082827209738
Energy: 1.4427264060522578
Energy: 1.498507767389386
Energy: 1.4057943546877623
Energy: 1.3614822193315834
Energy: 1.4417495377906766
Energy: 1.3833737221472207
Energy: 1.3911964835905302
Energy: 1.5511616599293176
Energy: 1.3808670008782782
Energy: 1.4783164061798009
Energy: 1.3919312861736228
Energy: 1.3848534380011783
Energy: 1.401484875121788
Energy: 1.500825128666651
Energy: 1.376987469654027
Energy: 1.4743977910984585
Energy: 1.402866141626076
Energy: 1.3838515450036029
Energy: 1.436236164624839
Energy: 1.474271457452249
Energy: 1.4772435090862022
Energy: 1.4771652717683177
Energy: 1.479694456673123
Energy: 1.3742725699841778
Energy: 1.5140160539145826
Energy: 1.384518628425698
Energy: 1.380464588477833
Energy: 1.5117930276584528
Energy: 1.5140517040206214
Energy: 1.3687329871464768
Energy: 1.5381860813948836
Energy: 1.3845114985093274
Energy: 1.3748386325634168
Energy: 1.4819854421955918
Energy: 1.7988150032228194
Energy: 1.3759400828507609
Energy: 1.375998357259133
Energy: 1.6018329402245928
Energy: 1.370156606306022
Energy: 1.6097518146906804
Energy: 1.3754699916963031
Energy: 1.368376942492555
Energy: 1.4078485246015455
Energy: 1.5738893311287956
Energy: 1.369268746403766
Energy: 1.4155087087281972
Energy: 1.3664398615548947
Energy: 1.3667216415917165
Energy: 1.6017428947212973
Energy: 1.5145494850582817
Energy: 1.4601007154833912
Energy: 1.3935560473421014
Energy: 1.598428171524976

minimum gb energy = 1.3293079836506805 eV
minimum distance =  2.21890707746624 Angstroms
sigma value = 19


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

Energy: 1.6390039155487317
Energy: 1.4413774647494408
Energy: 1.4373561591832085
Energy: 1.4357965321605541
Energy: 1.4364030806046
Energy: 1.32832615125468
Energy: 1.3082367222981872
Energy: 1.4665567457284534
Energy: 1.3570601252552539
Energy: 1.3438579307554
Energy: 1.6279473878480948
Energy: 1.4873044998683655
Energy: 1.3023563315571445
Energy: 1.3535605398557007
Energy: 1.5375595652249647
Energy: 1.5388303546739865
Energy: 1.3517929795295223
Energy: 1.3527971897364397
Energy: 1.3049705649231342
Energy: 1.5341301420009887
Energy: 1.4819741429490028
Energy: 1.3437805767451811
Energy: 1.4815522901380926
Energy: 1.35400316645095
Energy: 1.2823197805327988
Energy: 1.4829504887949632
Energy: 1.3589501158546335
Energy: 1.3423431117062765
Energy: 1.363553921348614
Energy: 1.4827877314273958
Energy: 1.304922347719251
Energy: 1.4059426603446268
Energy: 1.3612057954457097
Energy: 1.3095999432542402
Energy: 1.3609757295022475
Energy: 1.3059448968970537
Energy: 1.312733475332526
Energy: 1.3717406107620467
Energy: 1.367963104171793
Energy: 1.3683616347681502
Energy: 1.3809248385124135
Energy: 1.3728786793392633
Energy: 1.3128604641350086
Energy: 1.3723704218316732
Energy: 1.4939388277683854
Energy: 1.3048062479802975
Energy: 1.3723106891115766
Energy: 1.3728042062959784
Energy: 1.3294670563229178
Energy: 1.3711503200572404
Energy: 1.4255473307647528
Energy: 1.3157865350702076
Energy: 1.371414848071344
Energy: 1.3708589696065427
Energy: 1.3131526226851022
Energy: 1.4367675742211652
Energy: 1.490606215290589
Energy: 1.302949059331596
Energy: 1.4914628738780407
Energy: 1.3766391239737754
Energy: 1.2894385741343193
Energy: 1.3775391951336633
Energy: 1.3206858247636164
Energy: 1.3199370127398298
Energy: 1.3213430348918629
Energy: 1.5724515990658605
Energy: 1.3136589685251416
Energy: 1.5656355476099653
Energy: 1.4048756201147512
Energy: 1.3070180246557752
Energy: 1.3770675174213833
Energy: 1.5656512582482438
Energy: 1.3128172723330602
Energy: 1.3569373951079569
Energy: 1.3168665694078314
Energy: 1.3390610730805796
Energy: 1.4020097966016742
Energy: 1.3137163952590718
Energy: 1.2706146757119037
Energy: 1.3643033254258143
Energy: 1.542042206734339
Energy: 1.3048206155626216
Energy: 1.5449920212642607
Energy: 1.2715443334148209
Energy: 1.2865700280651318
Energy: 1.2933786544513983
Energy: 1.3075621301774627
Energy: 1.3067411679911927
Energy: 1.3065366091675277
Energy: 1.5424350445086763
Energy: 1.271141397903361
Energy: 1.5436127278183833
Energy: 1.3345082904797168
Energy: 1.30652121106873
Energy: 1.2936621077963304
Energy: 1.5405468575777035
Energy: 1.271143044576719
Energy: 1.3443923179165855
Energy: 1.5942363241957007
Energy: 1.662838416434999
Energy: 1.5503949359420763
Energy: 1.3447630653522673
Energy: 1.306632194742962
Energy: 1.4296777297096441
Energy: 1.4925550682131221
Energy: 1.3156089667627036
Energy: 1.4930938387442658
Energy: 1.3517958293107057
Energy: 1.2818101398944761
Energy: 1.4753073200337754
Energy: 1.4244850654545722
Energy: 1.3075928576738074
Energy: 1.4323599313846453
Energy: 1.476459537995711
Energy: 1.306922426598851
Energy: 1.5059746993564616
Energy: 1.3329919438991435
Energy: 1.3328471408147178
Energy: 1.3320655959880694
Energy: 1.399742012388879
Energy: 1.3060946661018862
Energy: 1.4983870117916394
Energy: 1.3762807059036493
Energy: 1.381214390567889
Energy: 1.379988548225727
Energy: 1.4427287738255785
Energy: 1.307330355142466
Energy: 1.3784192570989842
Energy: 1.4533253946770113
Energy: 1.3039440964664277
Energy: 1.4479518562345095
Energy: 1.3794454321008711
Energy: 1.3058917819481204
Energy: 1.3635445355238587
Energy: 1.4827806168042692
Energy: 1.3033024088083147
Energy: 1.407096850579766
Energy: 1.36426641093099
Energy: 1.3147911340115122
Energy: 1.3639761955581882
Energy: 1.481744007087167
Energy: 1.3039226911235469
Energy: 1.4826499276720424
Energy: 1.363621995618519
Energy: 1.3146522714984146
Energy: 1.4805619802725907
Energy: 1.3516614017134796
Energy: 1.3042116664635555
Energy: 1.348574258646449
Energy: 1.4805027463755693
Energy: 1.2895035557665162
Energy: 1.4640602811508026
Energy: 1.3491798063426919
Energy: 1.3010037126446505
Energy: 1.3493646002380715
Energy: 1.6377944762289747
Energy: 1.3445176148977036
Energy: 1.36424704882267
Energy: 1.639884367981961
Energy: 1.3000185028137419
Energy: 1.6341538697225388
Energy: 1.3147455859879822
Energy: 1.3022720649569108
Energy: 1.3414793268178156
Energy: 1.406252489507171
Energy: 1.3377583704221008
Energy: 1.3657048705562695
Energy: 1.3035806839758248
Energy: 1.3391522783442835
Energy: 1.6373546820357914
Energy: 1.4579998493304518
Energy: 1.4073848026831028
Energy: 1.421455478363205
Energy: 1.6271438940073182

minimum gb energy = 1.2706146757119037 eV
minimum distance =  2.21753637753731 Angstroms
sigma value = 101


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

Energy: 2.047899315482818
Energy: 1.3388586430999116
Energy: 1.342789406149806
Energy: 1.3411492078293474
Energy: 1.3446511405782977
Energy: 1.55367375643695
Energy: 1.2280408768842306
Energy: 1.4348730148563142
Energy: 1.3183443568201616
Energy: 1.2516811321867716
Energy: 1.62241348523949
Energy: 1.3992764457081273
Energy: 1.2462545411444332
Energy: 1.3080402470671455
Energy: 1.561905542261292
Energy: 1.5551243846237486
Energy: 1.3118139379104028
Energy: 1.2503761305172016
Energy: 1.2473190976358957
Energy: 1.5617700097913654
Energy: 1.3941867662331622
Energy: 1.228670013434676
Energy: 1.4777768353020218
Energy: 1.3111342575485505
Energy: 1.2205288028474364
Energy: 1.3929849901063232
Energy: 1.3216607121937796
Energy: 1.230793509213924
Energy: 1.3239057165215882
Energy: 1.400072855620322
Energy: 1.247416141593953
Energy: 1.3543913223672424
Energy: 1.3241361826843543
Energy: 1.2255349525144894
Energy: 1.321982970457533
Energy: 1.2476568071532248
Energy: 1.2470472132904937
Energy: 1.3015003756710875
Energy: 1.3552321777111649
Energy: 1.35913226314904
Energy: 1.3698888349173013
Energy: 1.300936652654543
Energy: 1.235213776915693
Energy: 1.302897928400469
Energy: 1.2254583088426523
Energy: 1.2257263248496042
Energy: 1.3019611128459179
Energy: 1.3012102529847074
Energy: 1.265422547406007
Energy: 1.3026698327412183
Energy: 1.3550805950288496
Energy: 1.2521146255945843
Energy: 1.3207967583987015
Energy: 1.301530542695704
Energy: 1.2469959223909899
Energy: 1.4191892859440463
Energy: 1.3548611485872264
Energy: 1.2261367113205919
Energy: 1.354739716186524
Energy: 1.331381198952312
Energy: 1.2464545239505949
Energy: 1.3191285817284892
Energy: 1.2602021283558522
Energy: 1.2613321343097412
Energy: 1.3227781116810637
Energy: 1.481328940994392
Energy: 1.2463881792497462
Energy: 1.476542510493876
Energy: 1.386480794291647
Energy: 1.2593620778029406
Energy: 1.319655234208764
Energy: 1.4780338824556787
Energy: 1.2475727053906187
Energy: 1.3094948559516753
Energy: 1.318948145650154
Energy: 1.2430652510112628
Energy: 1.3085671924835858
Energy: 1.24765456575814
Energy: 1.227960928239789
Energy: 1.3875612076469994
Energy: 1.6249368187285065
Energy: 1.2438208037647633
Energy: 1.6297600413639366
Energy: 1.3879119699720064
Energy: 1.2571604355699721
Energy: 1.2262338771423686
Energy: 1.254319260428474
Energy: 1.252129704916212
Energy: 1.256946409763487
Energy: 1.4303499368270622
Energy: 1.2559159554049486
Energy: 1.6183020182798193
Energy: 1.387483591288926
Energy: 1.2280299376247374
Energy: 1.3170712046397381
Energy: 1.3180745345307294
Energy: 1.317276823232159
Energy: 1.230358883444377
Energy: 1.264318449269957
Energy: 1.552535152714013
Energy: 1.3087125915825424
Energy: 1.3185328520984805
Energy: 1.251827182802663
Energy: 1.402935421672851
Energy: 1.6218374948154863
Energy: 1.2220545718430604
Energy: 1.6283998224336544
Energy: 1.319249780412289
Energy: 1.2674306250413525
Energy: 1.514413778253906
Energy: 1.2930187673511362
Energy: 1.2289437380993122
Energy: 1.3090405737853945
Energy: 1.568854781292637
Energy: 1.263101666863105
Energy: 1.5342003280067207
Energy: 1.3149517817556053
Energy: 1.246912222189992
Energy: 1.2463546827089302
Energy: 1.3946356493310887
Energy: 1.2244383942279753
Energy: 1.3886134959168042
Energy: 1.4793766293921455
Energy: 1.3948927424053332
Energy: 1.4648715025226295
Energy: 1.3852760228730459
Energy: 1.2257944708289292
Energy: 1.3247916012326835
Energy: 1.381304261786535
Energy: 1.247611648323512
Energy: 1.3240340152174022
Energy: 1.31993398907673
Energy: 1.2522948731613461
Energy: 1.3540749381137351
Energy: 1.3646181077157127
Energy: 1.235164608624707
Energy: 1.3652709903779392
Energy: 1.3575603634687772
Energy: 1.2263415471247232
Energy: 1.322163493327147
Energy: 1.300749874793486
Energy: 1.2484740142912776
Energy: 1.3028804150481819
Energy: 1.3411601846432342
Energy: 1.224777364061747
Energy: 1.3211920517650675
Energy: 1.3009446425195257
Energy: 1.303449695837025
Energy: 1.3011749059045339
Energy: 1.3229290030949798
Energy: 1.2515874476791353
Energy: 1.3564191403525931
Energy: 1.418032100593533
Energy: 1.24816675910807
Energy: 1.4254416403733803
Energy: 1.3558533717682262
Energy: 1.225728027321554
Energy: 1.3222566886471636
Energy: 1.3240584431839961
Energy: 1.2474046623738881
Energy: 1.3235315770481424
Energy: 1.2607384788535851
Energy: 1.2592890757835347
Energy: 1.319859439333836
Energy: 1.4783884222928017
Energy: 1.2471471351178347
Energy: 1.4771713870185672
Energy: 1.3862128022287743
Energy: 1.2430275337688097
Energy: 1.534617078395733
Energy: 1.314228872938113
Energy: 1.2485827131122071
Energy: 1.31518509984143
Energy: 1.5339131090408757
Energy: 1.2433010352539444
Energy: 1.3069100679822718
Energy: 1.2286289845153857
Energy: 1.293379909694647
Energy: 1.2927262403005877
Energy: 1.6292389720077647
Energy: 1.2536803643980723
Energy: 1.31678102948531
Energy: 1.432169738514126
Energy: 1.255859681361607
Energy: 1.3165036726485284
Energy: 1.2539096641230303
Energy: 1.2291545898883587
Energy: 1.3890171377374785
Energy: 1.6284911288774182
Energy: 1.2492938180652793
Energy: 1.2259653974441613
Energy: 1.235593293142588
Energy: 1.2628695136258175
Energy: 1.2256498683440367
Energy: 1.292365368792203
Energy: 1.3175297357997522
Energy: 1.2932302471278567
Energy: 1.5590316335673735

minimum gb energy = 1.2205288028474364 eV
minimum distance =  2.21395899471425 Angstroms
sigma value = 33


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

Energy: 0.014034170056770505
Energy: 0.09403608065267897
Energy: 0.08956666749021303
Energy: 0.08982487301364032
Energy: 0.0907745397216073
Energy: 0.014613413021675445
Energy: 0.10371796985716658
Energy: 0.1041695795651845
Energy: 0.10429254719190226
Energy: 0.10496660996333428
Energy: 0.10368583120990776
Energy: 0.10636253154844129
Energy: 0.8650093690794137
Energy: 0.09270514285920063
Energy: 0.014728972820739254
Energy: 0.01614557951065655
Energy: 0.09169955113732743
Energy: 0.08947796459754973
Energy: 0.10371796985369104
Energy: 0.1041695795644736
Energy: 0.10429254719190226
Energy: 0.10496660996333428
Energy: 0.10368583120990776
Energy: 0.10636253154844129

minimum gb energy = 0.014034170056770505 eV
minimum distance =  2.44461469272641 Angstroms
sigma value = 1