Model name: model_name=EAM_Dynamo_PanBorovikovMendelev_2108_AgNi__MO_222110751402_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5181212425231942
cohesive_energy=4.385853711507128
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.35995811658298e-19, 3.0629291365168197e-19, 3.64317342628626e-19, 4.1799827075079597e-19, 4.647433762243799e-19, 5.04419678388756e-19, 5.3805257028968395e-19, 5.65757408644812e-19, 5.8677315955299e-19, 6.040045692516599e-19, 6.19380658408158e-19, 6.330199880933999e-19, 6.451340456230739e-19, 6.5584940295126595e-19, 6.65294234208696e-19, 6.737425115997779e-19, 6.81434561619612e-19, 6.88258231903818e-19, 6.9372485857902595e-19, 6.973217451223559e-19, 6.994686618119159e-19, 7.010580210328439e-19, 7.022163947392259e-19, 7.02636165017334e-19, 7.02184351206546e-19, 7.00753607472384e-19, 6.982285770971999e-19, 6.944923011867119e-19, 6.89439036083076e-19, 6.82955027245278e-19, 6.748255830043619e-19, 6.64640546142024e-19, 6.516805393495979e-19, 6.34739123621682e-19, 6.118312021087499e-19, 5.79781260722214e-19, 5.33539238711706e-19, 4.6451907149562e-19, 3.5786858167677597e-19, 1.8800421276346198e-19, -9.016505356096439e-20, -5.57160128826768e-19, -1.3584086634901678e-18, -2.7622326258477e-18, -5.27785822419012e-18, -9.8780598192636e-18, -1.8342519194349e-17, -3.4577375026670996e-17, -6.75714791036232e-17, -1.398777105960432e-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: 0.017860585718225772
Energy: 0.1500718318212196
Energy: 0.9484810426981162
Energy: 0.018268189620230395
Energy: 0.15007183182188183
Energy: 1.2831429445398876
Energy: 0.018268189620230395
Energy: 1.2831429433386297
Energy: 0.94848104272398
Energy: 0.018268189620230395
Energy: 0.017860585718225772
Energy: 0.15007183182188183
Energy: 0.018268189620230395
Energy: 1.283142945113347
Energy: 0.15007183182254405
Energy: 1.2831429404002175

minimum gb energy = 0.017860585718225772 eV
minimum distance =  2.42453726317396 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.7736205885755447
Energy: 1.165431769422647
Energy: 1.1664829825044918
Energy: 1.117541675290398
Energy: 1.1729449231717326
Energy: 1.2345275068910169
Energy: 1.1731368640841568
Energy: 1.2345275068910169
Energy: 1.1669159010378096
Energy: 1.166237752742548
Energy: 1.915846095856307
Energy: 1.1662377527457604
Energy: 1.1670675111339388
Energy: 1.1508306013609468
Energy: 1.1492208931452597
Energy: 1.150830601356931
Energy: 1.6504149517438227
Energy: 1.1522481738089052
Energy: 1.154044585078155
Energy: 1.1522481738105115
Energy: 1.1629660840186233
Energy: 1.1785982989929649
Energy: 1.1502765031099087
Energy: 1.1785982989881458
Energy: 1.2242704887236784
Energy: 1.283050580315505
Energy: 1.2261776829420648
Energy: 1.2830505803147019
Energy: 1.2291092744023047
Energy: 1.176202361362465
Energy: 1.1790778509853563
Energy: 1.176202361367284
Energy: 1.4292089813354831
Energy: 1.3739752969022307
Energy: 1.2406892481589542
Energy: 1.3739752969014276
Energy: 1.2389459923777926
Energy: 1.2651703028588097
Energy: 1.2385730897471965
Energy: 1.2651703028596126
Energy: 1.239420546634855
Energy: 1.3732779398347332
Energy: 1.2419199948232689
Energy: 1.3732779398323238
Energy: 1.2402348504411984
Energy: 1.3718752463157469
Energy: 1.18082133468409
Energy: 1.37187524631655
Energy: 1.2578966048882876
Energy: 1.2831169104862892
Energy: 1.2245252740902122
Energy: 1.2831169104838798
Energy: 1.1627764899698212
Energy: 1.2839829234221625
Energy: 1.2153424003522886
Energy: 1.2839829234213591
Energy: 1.1876528723275828
Energy: 1.151444910320143
Energy: 1.150940328139934
Energy: 1.1514449103241589
Energy: 1.1125795142660055
Energy: 1.151071495534778
Energy: 1.1502242368255609
Energy: 1.1510714955331716
Energy: 1.164836949393254
Energy: 1.1656416523899367
Energy: 1.1111265499034555
Energy: 1.1656416523883306
Energy: 1.173633945835172
Energy: 1.1512502570577632
Energy: 1.2151629304135005
Energy: 1.1512502570577632
Energy: 1.149238514258528
Energy: 1.1668982645841846
Energy: 1.165766962985394
Energy: 1.1668982645841846
Energy: 1.171878390014848
Energy: 1.1513867517922942
Energy: 1.1698918574629125
Energy: 1.1513867517890817
Energy: 1.1519025704673713
Energy: 1.1519853525183277
Energy: 1.224712884973626
Energy: 1.1519853525167212
Energy: 1.1508971282799103
Energy: 1.1517655664745172
Energy: 1.161669129666382
Energy: 1.151765566478533
Energy: 1.2253974738545497
Energy: 1.2837570501446178
Energy: 1.2210208047914748
Energy: 1.2837570501438147
Energy: 1.1790817381081615
Energy: 1.2844190508940174
Energy: 1.233588655483928
Energy: 1.2844190508932143
Energy: 1.2405650447075873
Energy: 1.371972049887418
Energy: 1.4313240888283685
Energy: 1.371972049888221
Energy: 1.2418330890482199
Energy: 1.3727354584622078
Energy: 1.2411106309327133
Energy: 1.3727354584638138
Energy: 1.4253640037810542
Energy: 1.3703643891444948
Energy: 1.2363215967625873
Energy: 1.3703643891420854
Energy: 1.1818029330463822
Energy: 1.3725537167890893
Energy: 1.2397258999727563
Energy: 1.3725537167923019
Energy: 1.2357239770868311
Energy: 1.2832103322316923
Energy: 1.2573127660810965
Energy: 1.2832103322324957
Energy: 1.2156048212984243
Energy: 1.2836494489003458
Energy: 1.1634891388237873
Energy: 1.283649448901149
Energy: 1.1499020595698706
Energy: 1.1513187901619595
Energy: 1.187269599795256
Energy: 1.1513187901635658
Energy: 1.1499649725979726
Energy: 1.1517132071337266
Energy: 1.1127872130836296
Energy: 1.1517132071345297
Energy: 1.1112413685719733
Energy: 1.1669920084948182
Energy: 1.1657485205896367
Energy: 1.1669920084948182

minimum gb energy = 1.1111265499034555 eV
minimum distance =  2.20594428929046 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.9955332663792398
Energy: 1.2289584303747965
Energy: 1.2305476306998493
Energy: 1.1735577600210618
Energy: 1.2389508532296414
Energy: 1.300049599148861
Energy: 1.239435384134805
Energy: 1.300049599138788
Energy: 1.2280967839984958
Energy: 1.2300969717616876
Energy: 1.2136231039916932
Energy: 1.2300969717543617
Energy: 1.2305755502994502
Energy: 1.2156145331284167
Energy: 1.2399765700598404
Energy: 1.2156145332812607
Energy: 1.8347763260028442
Energy: 1.216262751450958
Energy: 1.215479142174972
Energy: 1.2162627514454636
Energy: 1.2272962172838233
Energy: 1.2168024126975252
Energy: 1.2144675928896986
Energy: 1.216802412707598
Energy: 1.2213828698809646
Energy: 1.3695881659553226
Energy: 1.3033093311237367
Energy: 1.3695881659489126
Energy: 1.2297780217995256
Energy: 1.3780885359652981
Energy: 1.2467636127143227
Energy: 1.3780885359762456
Energy: 1.2490625552622314
Energy: 1.4535134774892584
Energy: 1.3134014806243048
Energy: 1.4535134774901741
Energy: 1.2497845152431297
Energy: 1.4555657352731692
Energy: 1.3168656197254476
Energy: 1.4555657352686324
Energy: 1.261066448457155
Energy: 1.3693575839694336
Energy: 1.3498751383318564
Energy: 1.3693575839483716
Energy: 1.296870463790974
Energy: 1.3699066930700075
Energy: 1.2273499753033357
Energy: 1.3699066930718387
Energy: 1.2162912351490116
Energy: 1.216511324459938
Energy: 1.2613893787164545
Energy: 1.2165113244617696
Energy: 1.214528217337073
Energy: 1.2159732946524593
Energy: 1.1675751783002448
Energy: 1.2159732946552064
Energy: 1.1660673670706787
Energy: 1.228939556848766
Energy: 1.228824619760694
Energy: 1.2289395568570076
Energy: 1.2847952837988037
Energy: 1.2222836310253862
Energy: 1.2390973766262474
Energy: 1.2222836310272174
Energy: 1.2302710707609112
Energy: 1.2297641178184167
Energy: 1.2131932213041126
Energy: 1.2297641178147536
Energy: 1.2308737309528492
Energy: 1.225494227227064
Energy: 1.227609622744257
Energy: 1.2254942272279796
Energy: 1.2134497552895596
Energy: 1.2172301118246092
Energy: 1.2173795044653333
Energy: 1.217230111832809
Energy: 1.2297922119336435
Energy: 1.2157544639784268
Energy: 1.2152164669797734
Energy: 1.2157544639784268
Energy: 1.2214619282345018
Energy: 1.369554358981859
Energy: 1.3042530164193984
Energy: 1.3695543589845647
Energy: 1.2293543668279034
Energy: 1.3722082685592991
Energy: 1.2464849570548975
Energy: 1.3722082685629622
Energy: 1.2407948231787689
Energy: 1.4541401441108917
Energy: 1.315124678554912
Energy: 1.454140144116386
Energy: 1.2472675419866135
Energy: 1.454949951148206
Energy: 1.3159164857156063
Energy: 1.4549499511527848
Energy: 1.310396206778035
Energy: 1.3694088214218172
Energy: 1.3512791004035305
Energy: 1.3694088214328057
Energy: 1.2978627281213548
Energy: 1.3699635925801585
Energy: 1.2289383398151625
Energy: 1.3699635925829057
Energy: 1.2152659730727042
Energy: 1.2164025508485978
Energy: 1.260960799252091
Energy: 1.2164025508376093
Energy: 1.2146436257976678
Energy: 1.2164180541802336
Energy: 1.1680009190666294
Energy: 1.2164180541893908
Energy: 1.1658121851253211
Energy: 1.2294776053984124
Energy: 1.2298311282138186
Energy: 1.2294776054048226

minimum gb energy = 1.1658121851253211 eV
minimum distance =  2.19533341372931 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.9029728674373003
Energy: 1.3014411089200781
Energy: 1.3009770993815495
Energy: 1.237125880443836
Energy: 1.3141283335004117
Energy: 1.3729239704748621
Energy: 1.314529491984829
Energy: 1.3729239704716685
Energy: 1.3005026652866594
Energy: 1.3004625718432057
Energy: 1.7455274066028428
Energy: 1.3004625718432057
Energy: 1.3023603607343621
Energy: 1.3737191497561423
Energy: 1.316747941278417
Energy: 1.3737191497561423
Energy: 1.289342610734745
Energy: 1.2928897852302446
Energy: 1.2934837169407005
Energy: 1.2928897852302446
Energy: 1.3032432612681397
Energy: 1.29343902062957
Energy: 1.2924020811748267
Energy: 1.2934390206306345
Energy: 1.2996411866554687
Energy: 1.475149379058439
Energy: 1.464468485891904
Energy: 1.475149379060568
Energy: 1.3045531129049859
Energy: 1.4849902092634424
Energy: 1.2521833660861226
Energy: 1.4849902092677005
Energy: 1.3902913729732889
Energy: 1.4750326998735406
Energy: 1.372983114892901
Energy: 1.475032699874605
Energy: 1.3060567258470215
Energy: 1.475614413794201
Energy: 1.2934832920824904
Energy: 1.4756144137952658
Energy: 1.228035627050123
Energy: 1.2933329268810092
Energy: 1.293638631740764
Energy: 1.2933329268788802
Energy: 1.2284107219510987
Energy: 1.2927767775782206
Energy: 1.292385939618811
Energy: 1.292776777579285
Energy: 1.3006146379682362
Energy: 1.300747018486217
Energy: 1.2269788732691365
Energy: 1.3007470184851526
Energy: 1.3146368267587243
Energy: 1.3035088046006387
Energy: 1.3655717799528415
Energy: 1.3035088046006387
Energy: 1.289176697029813
Energy: 1.3004939322604718
Energy: 1.3033381119405887
Energy: 1.3004939322636655
Energy: 1.3003671325662187
Energy: 1.3026799066526555
Energy: 1.302473829336922
Energy: 1.3026799066547847
Energy: 1.3071789039065942
Energy: 1.2927092584614328
Energy: 1.2889883539836349
Energy: 1.2927092584624975
Energy: 1.3091345540431205
Energy: 1.2920002761007348
Energy: 1.3008408491507486
Energy: 1.2920002761007348
Energy: 1.4655233814201993
Energy: 1.4759148570610867
Energy: 1.3017881854081714
Energy: 1.4759148570610867
Energy: 1.252930910870835
Energy: 1.4795363465608558
Energy: 1.3045672237290902
Energy: 1.4795363465597913
Energy: 1.3741446134500876
Energy: 1.474793638904846
Energy: 1.471064012399766
Energy: 1.474793638904846
Energy: 1.3067669167006113
Energy: 1.4759531187612192
Energy: 1.3060404775856393
Energy: 1.4759531187665416
Energy: 1.2931692852858474
Energy: 1.2930288214533343
Energy: 1.2279465071641493
Energy: 1.2930288214522696
Energy: 1.2915844388810203
Energy: 1.2934153326842213
Energy: 1.2290143101901836
Energy: 1.2934153326842213
Energy: 1.226469301260367
Energy: 1.3026212307584981
Energy: 1.3022361942964435
Energy: 1.3026212307584981

minimum gb energy = 1.226469301260367 eV
minimum distance =  2.2116211139296 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.7734614945972913
Energy: 1.3830415223081354
Energy: 1.3838265091254611
Energy: 1.3095003576727404
Energy: 1.383386706260432
Energy: 1.4540376628956708
Energy: 1.3819325479873543
Energy: 1.454037662894401
Energy: 1.3831968731568023
Energy: 1.3824600405624927
Energy: 1.3813917330319232
Energy: 1.382460040558683
Energy: 1.3825170217415852
Energy: 1.454195156311337
Energy: 1.382411497112206
Energy: 1.4541951563151467
Energy: 1.6212278596977354
Energy: 1.3884424490339227
Energy: 1.3887529161065237
Energy: 1.388442449030113
Energy: 1.3986701236052628
Energy: 1.3902140751214427
Energy: 1.399051291443725
Energy: 1.3902140751214427
Energy: 1.4749118579529048
Energy: 1.5900636135866824
Energy: 1.3983764124033178
Energy: 1.590063613594302
Energy: 1.399768242684152
Energy: 1.5999786832390341
Energy: 1.4823476728598968
Energy: 1.5999786832428438
Energy: 1.3870805797579508
Energy: 1.3891136242609976
Energy: 1.294593716007944
Energy: 1.389113624269887
Energy: 1.3988318481654072
Energy: 1.389056526076751
Energy: 1.2955636677390747
Energy: 1.389056526075481
Energy: 1.293607086275658
Energy: 1.3817490296299668
Energy: 1.3806860686902316
Energy: 1.3817490296299668
Energy: 1.4567696574782811
Energy: 1.3872415628669468
Energy: 1.383263582419212
Energy: 1.3872415628631372
Energy: 1.381267186315875
Energy: 1.3819334933785232
Energy: 1.3784794787535306
Energy: 1.3819334933734435
Energy: 1.38263572236903
Energy: 1.387739767787783
Energy: 1.3848792982131768
Energy: 1.387739767789053
Energy: 1.3922837744738514
Energy: 1.3972373193931729
Energy: 1.3986730971933548
Energy: 1.397237319390633
Energy: 1.381519724801284
Energy: 1.388526281277549
Energy: 1.4003352440765424
Energy: 1.388526281277549
Energy: 1.472972612361771
Energy: 1.5911333274476729
Energy: 1.632470990835868
Energy: 1.5911333274502124
Energy: 1.4751991795767967
Energy: 1.5916943842558382
Energy: 1.4017890722221351
Energy: 1.5916943842507585
Energy: 1.3857775157809418
Energy: 1.3891258648042015
Energy: 1.2952208676843053
Energy: 1.3891258648080114
Energy: 1.399060868139662
Energy: 1.3885965018638915
Energy: 1.295233910210273
Energy: 1.3885965018702409
Energy: 1.292636263448265
Energy: 1.3831606849307452
Energy: 1.3816839653208415
Energy: 1.3831606849269644

minimum gb energy = 1.292636263448265 eV
minimum distance =  2.21675589799015 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.6063100897711065
Energy: 1.4799902142283161
Energy: 1.480459690629472
Energy: 1.3887640997433304
Energy: 1.477320202940182
Energy: 1.49396000176107
Energy: 1.4794707994312561
Energy: 1.4939600017594996
Energy: 1.479077057816642
Energy: 1.4773189539047062
Energy: 1.4809637628017411
Energy: 1.4773189539015652
Energy: 1.4794684858801317
Energy: 1.4939242715445966
Energy: 1.4161373864881752
Energy: 1.4939242715477372
Energy: 1.489332221925492
Energy: 1.4988206142924494
Energy: 1.4146157214618014
Energy: 1.498820614290879
Energy: 1.381495259476696
Energy: 1.496967140242759
Energy: 1.4139487396317674
Energy: 1.4969671402521814
Energy: 1.3726053335178907
Energy: 1.4986499169849077
Energy: 1.494075072334118
Energy: 1.4986499169817669
Energy: 1.373595178775103
Energy: 1.4935958292308114
Energy: 1.416540922228711
Energy: 1.4935958292261
Energy: 1.4744878847469896
Energy: 1.4753888779432136
Energy: 1.5686103701176026
Energy: 1.4753888779400728
Energy: 1.4809536438828956
Energy: 1.3811541605162823
Energy: 1.567574456989251
Energy: 1.3811541605178526
Energy: 1.4715540321257918
Energy: 1.4751600725387908
Energy: 1.4857561966441897
Energy: 1.4751600725340792
Energy: 1.476308313335941
Energy: 1.4747512034483008
Energy: 1.4744645366279825
Energy: 1.4747512034483008
Energy: 1.4151326510222808
Energy: 1.611681023790306
Energy: 1.4890114271265518
Energy: 1.6116810237918766
Energy: 1.4148951085040489
Energy: 1.4991504335479
Energy: 1.4781682094897115
Energy: 1.4991504335463295
Energy: 1.4949222225740695
Energy: 1.4978817423911848
Energy: 1.3734869507638634
Energy: 1.497881742392755
Energy: 1.4158716070841861
Energy: 1.602053426262053
Energy: 1.3728498967759006
Energy: 1.6020534262636232
Energy: 1.5662867807652412
Energy: 1.4760574154972974
Energy: 1.4737222949193507
Energy: 1.4760574154988677

minimum gb energy = 1.3726053335178907 eV
minimum distance =  2.21638839004665 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 2.088855084450186
Energy: 1.5970435976932518
Energy: 1.5979217931193552
Energy: 1.5294377210318773
Energy: 1.4689071318268885
Energy: 1.4719152815893228
Energy: 1.5986026013915378
Energy: 1.4719152815911016
Energy: 1.4710892989823827
Energy: 1.470470166472458
Energy: 1.601799578486479
Energy: 1.470470166475126
Energy: 1.4705379354245625
Energy: 1.469214977524882
Energy: 1.469290931309902
Energy: 1.4692149775257717
Energy: 1.6600023366964363
Energy: 1.6303350349858756
Energy: 1.4197878389789922
Energy: 1.6303350349876546
Energy: 1.4692170914953773
Energy: 1.5812479058329454
Energy: 1.4702993619856
Energy: 1.5812479058418396
Energy: 1.5127392574884113
Energy: 1.468640988503145
Energy: 1.4710343673150157
Energy: 1.4686409885067024
Energy: 1.666187831989868
Energy: 1.4687767602677735
Energy: 1.469993549151781
Energy: 1.468776760269552
Energy: 1.6018091641953303
Energy: 1.5896773162497846
Energy: 1.5992586905726058
Energy: 1.5896773162497846
Energy: 1.5866256479606982
Energy: 1.588039880142486
Energy: 1.5979628074648844
Energy: 1.588039880144265
Energy: 1.658025461641844
Energy: 1.4236968150674363
Energy: 1.4461596032578297
Energy: 1.423696815106531
Energy: 1.5919398585590063
Energy: 1.4897817178561115
Energy: 1.4491505402670861
Energy: 1.4897817178489958
Energy: 1.5137561364428698
Energy: 1.493426915976119
Energy: 1.486645295246462
Energy: 1.4934269159609985
Energy: 1.513176014478718
Energy: 1.4875235408518275
Energy: 1.4474981256092236
Energy: 1.4875235408447118
Energy: 1.5884244873965432
Energy: 1.5879866593233296
Energy: 1.6671935822107502
Energy: 1.5879866593233296
Energy: 1.6041443435329161
Energy: 1.5869427408351195
Energy: 1.6649401921114757
Energy: 1.58694274083423
Energy: 1.596727307312689
Energy: 1.468966295937328
Energy: 1.4684960881992464
Energy: 1.4689662959346597
Energy: 1.5960368074636424
Energy: 1.4692064085444614
Energy: 1.466675370880706
Energy: 1.4692064085462404
Energy: 1.4698455809862647
Energy: 1.631426826475379
Energy: 1.4684674871300738
Energy: 1.6314268264780472
Energy: 1.5508195358152677
Energy: 1.5837845809463302
Energy: 1.4682735336479384
Energy: 1.5837845809463302
Energy: 1.4693341955992811
Energy: 1.4693916735066455
Energy: 1.6605409703723744
Energy: 1.4693916735083836
Energy: 1.4709039230794505
Energy: 1.4723630080730175
Energy: 1.7712320844558513
Energy: 1.4723630080721284
Energy: 1.5985487825271172
Energy: 1.5874844444152247
Energy: 1.5987872730637855
Energy: 1.587484444416114
Energy: 1.5997592544187205
Energy: 1.590053115120685
Energy: 1.5899994894065173
Energy: 1.590053115118906
Energy: 1.4476348368945617
Energy: 1.4863738792696637
Energy: 1.5959737730270371
Energy: 1.4863738792607692
Energy: 1.4491676888306084
Energy: 1.4871472319541132
Energy: 1.4658840491307505
Energy: 1.487147231955892
Energy: 1.445460008211229
Energy: 1.449564037360623
Energy: 1.5165490188243869
Energy: 1.449564037358844
Energy: 1.448362792218947
Energy: 1.4901644275589425
Energy: 1.5134695768383566
Energy: 1.4901644275589425
Energy: 1.4473549401106764
Energy: 1.564299934684065
Energy: 1.514286185882824
Energy: 1.5642999346875823
Energy: 1.66220841587696
Energy: 1.5903148253528354
Energy: 1.5965411475617886
Energy: 1.590314825353725

minimum gb energy = 1.4197878389789922 eV
minimum distance =  2.18424031793 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.9060716184059439
Energy: 1.5450034342444465
Energy: 1.5466575155350724
Energy: 1.3953577729711446
Energy: 1.5250733357549655
Energy: 1.5266508959348897
Energy: 1.5277331951970963
Energy: 1.5266508959328422
Energy: 1.5258417572619738
Energy: 1.529191075223333
Energy: 1.6375531327813062
Energy: 1.5291910752151427
Energy: 1.5300627097821997
Energy: 1.4843090604785338
Energy: 1.5258008370445653
Energy: 1.484309060482629
Energy: 1.545529322402767
Energy: 1.4831282907806762
Energy: 1.3843541864798516
Energy: 1.4831282907806762
Energy: 1.5233583455728412
Energy: 1.4851615321231206
Energy: 1.379638291148163
Energy: 1.485161532125168
Energy: 1.6593888381300155
Energy: 1.526167413501584
Energy: 1.5273586516134805
Energy: 1.526167413501584
Energy: 1.6581584823911732
Energy: 1.5242200913750559
Energy: 1.5230991474556388
Energy: 1.5242200913771036
Energy: 1.5307420313833167
Energy: 1.5267572834976115
Energy: 1.5409607194478738
Energy: 1.5267572834976115
Energy: 1.523184985789038
Energy: 1.5244140376447162
Energy: 1.5272360570918473
Energy: 1.5244140376447162
Energy: 1.5292471164989254
Energy: 1.4862236683609253
Energy: 1.3967569513320763
Energy: 1.4862236683609253
Energy: 1.5290811374854008
Energy: 1.482804321123088
Energy: 1.3782888595064215
Energy: 1.4828043211271833
Energy: 1.6582931865370432
Energy: 1.5253965806750078
Energy: 1.522088176598559
Energy: 1.525396580677055

minimum gb energy = 1.3782888595064215 eV
minimum distance =  2.21269361196881 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.8655226446625799
Energy: 1.6904486207745473
Energy: 1.6938598143672015
Energy: 1.5916288078865335
Energy: 1.4717976809066569
Energy: 1.4710375314722026
Energy: 1.6709230973600346
Energy: 1.4710375314570454
Energy: 1.478505584487641
Energy: 1.4757513455827884
Energy: 1.762595960103092
Energy: 1.4757513455820304
Energy: 1.476182487008394
Energy: 1.4734350902172222
Energy: 1.7292882201568098
Energy: 1.4734350902179798
Energy: 1.4716547002827967
Energy: 1.4714671895980571
Energy: 1.7239904366833703
Energy: 1.4714671895988147
Energy: 1.472145409640927
Energy: 1.4723227609401763
Energy: 1.7247215642933498
Energy: 1.472322760932598
Energy: 1.669050184909882
Energy: 1.6511006850947645
Energy: 1.6728125960769118
Energy: 1.651100685097038
Energy: 1.6686324697901418
Energy: 1.6508875659951323
Energy: 1.651588971639787
Energy: 1.6508875659928586
Energy: 1.5229206241404178
Energy: 1.642626412542668
Energy: 1.5609789890104109
Energy: 1.6426264125995076
Energy: 1.4701825867221865
Energy: 1.566083348073347
Energy: 1.6528860301082933
Energy: 1.5660833486793624
Energy: 1.520558305831054
Energy: 1.5208600613218664
Energy: 1.5708754150771167
Energy: 1.5208600613218664
Energy: 1.5349155551206228
Energy: 1.521412847906426
Energy: 1.722946415103194
Energy: 1.5214128479049105
Energy: 1.6690007451039996
Energy: 1.521312028510148
Energy: 1.5424746130491256
Energy: 1.521312028510906
Energy: 1.6707411798651348
Energy: 1.521138940534224
Energy: 1.524078299497182
Energy: 1.5211389405327085
Energy: 1.651171144165919
Energy: 1.5375154764687877
Energy: 1.532275192057598
Energy: 1.537515476460451
Energy: 1.5710982413319867
Energy: 1.6385682068144776
Energy: 1.532674484848712
Energy: 1.6385682068205407
Energy: 1.6570011568657166
Energy: 1.5998103050552857
Energy: 1.5230963848611332
Energy: 1.5998103050560433
Energy: 1.6522689476369132
Energy: 1.6540457358866987
Energy: 1.8658924899715301
Energy: 1.6540457358859406
Energy: 1.671096893065644
Energy: 1.6022909961769924
Energy: 1.5236180542474154
Energy: 1.6022909959058154
Energy: 1.7693245879426154
Energy: 1.4773073193988882
Energy: 1.474830139033535
Energy: 1.477307319395857
Energy: 1.7687706965316723
Energy: 1.47392635691924
Energy: 1.4736867980139197
Energy: 1.473926356924545
Energy: 1.7246115529624837
Energy: 1.4694568564452504
Energy: 1.4708869283316297
Energy: 1.469456856447524
Energy: 1.7239220546080987
Energy: 1.4714240254558903
Energy: 1.4717219194233777
Energy: 1.4714240254490696
Energy: 1.6758387117589808
Energy: 1.6507947223330561
Energy: 1.6694143326652977
Energy: 1.650794722334572
Energy: 1.651714082946614
Energy: 1.6502056935701201
Energy: 1.6690219948889635
Energy: 1.6502056935739096
Energy: 1.5358797091964629
Energy: 1.6373272486201311
Energy: 1.521852299769938
Energy: 1.6373272486178574
Energy: 1.652602432901623
Energy: 1.6273568247098302
Energy: 1.4697350659001347
Energy: 1.6273568247446917
Energy: 1.5709470063871376
Energy: 1.521883880349606
Energy: 1.5206624721790836
Energy: 1.521883880349606
Energy: 1.870258571522287
Energy: 1.531011142728908
Energy: 1.5333386328436363
Energy: 1.531011142728908
Energy: 1.540778238215258
Energy: 1.5219266398684543
Energy: 1.6696050389847148
Energy: 1.5219266398669387
Energy: 1.526161828129383
Energy: 1.5217603809925884
Energy: 1.6476158609030978
Energy: 1.5217603809925884
Energy: 1.5273725974618346
Energy: 1.5245260567056873
Energy: 1.651849370349276
Energy: 1.5245260567087184
Energy: 1.534223091380282
Energy: 1.6385414869191581
Energy: 1.5738084228723226
Energy: 1.6385414869229473
Energy: 1.5218493840587821
Energy: 1.6021890974323327
Energy: 1.579093677925934
Energy: 1.6021890974293014
Energy: 1.8658771618419274
Energy: 1.6512233972294235
Energy: 1.651228425296249
Energy: 1.6512233972294235

minimum gb energy = 1.4694568564452504 eV
minimum distance =  2.17906903497516 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 2.000216254645312
Energy: 1.6552961935071857
Energy: 1.655145341288821
Energy: 1.5378035395230412
Energy: 1.4909653478423905
Energy: 1.4915374786313482
Energy: 1.6023277541220173
Energy: 1.4913357931388638
Energy: 1.4959824303032068
Energy: 1.4940267562695215
Energy: 1.7097447333562261
Energy: 1.4940267562659144
Energy: 1.4951187010377194
Energy: 1.491980188929665
Energy: 1.7186547253377298
Energy: 1.491980188929665
Energy: 1.4906354213002293
Energy: 1.4912235308935675
Energy: 1.744299307319952
Energy: 1.491223530891163
Energy: 1.58125936043419
Energy: 1.4910486122883937
Energy: 1.673501197763312
Energy: 1.4910486122883937
Energy: 1.5917784360267895
Energy: 1.6355461889859138
Energy: 1.6633005685635072
Energy: 1.6355461889919256
Energy: 1.6220526312159507
Energy: 1.6356713949055668
Energy: 1.6356906899221477
Energy: 1.6356713949043646
Energy: 1.5606884140130528
Energy: 1.7112890830472463
Energy: 1.7096008080179723
Energy: 1.711289082118191
Energy: 1.5492096309770746
Energy: 1.4681758199679844
Energy: 1.6368844530455702
Energy: 1.468175819970389
Energy: 1.5660040108872417
Energy: 1.4656249258091114
Energy: 1.5210602012188
Energy: 1.4656249258067067
Energy: 1.5461038262166622
Energy: 1.4646445760727418
Energy: 1.785079311706009
Energy: 1.464644576071539
Energy: 1.6405262465109256
Energy: 1.5784960411872513
Energy: 1.5208262129463417
Energy: 1.5784960411872513
Energy: 1.639913259720399
Energy: 1.5291678660473988
Energy: 1.5267080106268178
Energy: 1.5291678660654078
Energy: 1.6776310746026182
Energy: 1.5232843510118128
Energy: 1.5233760212485257
Energy: 1.5232843510070029
Energy: 1.705934434177652
Energy: 1.5217516777919116
Energy: 1.5234895258519878
Energy: 1.5217516777967213
Energy: 1.7367852762181408
Energy: 1.7520510336032469
Energy: 1.5247767449986187
Energy: 1.7520510335972346
Energy: 1.6108549592966686
Energy: 1.6100911892672443
Energy: 1.5914492981106834
Energy: 1.610091189268447
Energy: 1.6063904235299264
Energy: 1.6076649628037922
Energy: 1.621884724214774
Energy: 1.607664962808602
Energy: 1.658726534118135
Energy: 1.6051893225885343
Energy: 1.5996073457469895
Energy: 1.6051893225885343
Energy: 1.606507429183753
Energy: 1.6063735181201972
Energy: 1.5247203596320842
Energy: 1.6063735181238046
Energy: 1.7415915872526415
Energy: 1.5985719490560355
Energy: 1.5989093177873137
Energy: 1.5985719490524284

minimum gb energy = 1.464644576071539 eV
minimum distance =  2.16929829678934 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 2.3445851225712118
Energy: 1.664813899742481
Energy: 1.6647349480172766
Energy: 1.5035207520094542
Energy: 1.487335614551008
Energy: 1.5899933249959766
Energy: 1.6004873695547994
Energy: 1.5899933250053289
Energy: 1.483086078325785
Energy: 1.4830529582326248
Energy: 1.6107048303226545
Energy: 1.483052958226673
Energy: 1.4864552527171495
Energy: 1.4848992208334513
Energy: 1.7407175150605745
Energy: 1.4848992208555571
Energy: 1.4849313586877209
Energy: 1.4837200220673954
Energy: 1.6746777998795839
Energy: 1.4837200220682456
Energy: 1.489519417400153
Energy: 1.4854052141469112
Energy: 1.6827221115543096
Energy: 1.485405214150312
Energy: 1.669607409599555
Energy: 1.4838906624538017
Energy: 1.4868709220778034
Energy: 1.4838906624538017
Energy: 1.6685399955430806
Energy: 1.4899670770655116
Energy: 1.489216657925363
Energy: 1.4899670770553088
Energy: 1.744768801557586
Energy: 1.4866361636763339
Energy: 1.489605094662772
Energy: 1.4866361636788845
Energy: 1.7385266400986539
Energy: 1.679391494943011
Energy: 1.4852259567360988
Energy: 1.6793914987061862
Energy: 1.5941503244234065
Energy: 1.5962199020124355
Energy: 1.630854860999693
Energy: 1.5962199020234886
Energy: 1.5964222148987584
Energy: 1.5930991865626136
Energy: 1.6698721697677898
Energy: 1.5930991865634636
Energy: 1.5895664723657392
Energy: 1.593119183438671
Energy: 1.592987999647362
Energy: 1.5931191834616274
Energy: 1.5956970082835304
Energy: 1.5824881505391433
Energy: 1.5006710575295115
Energy: 1.582488150538293
Energy: 1.5937701117808536
Energy: 1.5917537046884254
Energy: 1.4976979097614398
Energy: 1.591753704687575
Energy: 1.6600128330859614
Energy: 1.5911920710307688
Energy: 1.5944329889580202
Energy: 1.5911920710299188
Energy: 1.7338901937252598
Energy: 1.593612609068468
Energy: 1.7408937037314227
Energy: 1.5936126090642555
Energy: 1.4856761403670782
Energy: 1.676005802336299
Energy: 1.6134096038236478
Energy: 1.676005801743106
Energy: 1.486462156947164
Energy: 1.487919913588069
Energy: 1.6731872343964314
Energy: 1.487919913573615
Energy: 1.488549213802672
Energy: 1.4876312020093445
Energy: 1.737074385496407
Energy: 1.4876312020135958
Energy: 1.4873787516061143
Energy: 1.4840950664805401
Energy: 1.6759824460503263
Energy: 1.4840950664907429
Energy: 1.669958843742256
Energy: 1.4853148798037792
Energy: 1.4912159590381333
Energy: 1.4853148798054794
Energy: 1.6722549263510023
Energy: 1.484047414930509
Energy: 1.4849118491534985
Energy: 1.484047414920306
Energy: 1.7378787119184778
Energy: 1.4872708000647485
Energy: 1.4866440076107272
Energy: 1.4872708000681496
Energy: 1.727510408479522
Energy: 1.482943718809059
Energy: 1.4843085383212165
Energy: 1.4829437188184118
Energy: 1.6791271888708315
Energy: 1.5896364908305858
Energy: 1.4877211995075046
Energy: 1.5896364908195715
Energy: 1.6637422404477302
Energy: 1.5953264904052453
Energy: 2.0284259580548754
Energy: 1.5953264904060953
Energy: 1.5909592810342346
Energy: 1.591780156181998
Energy: 1.5939028636377182
Energy: 1.5917801561887999
Energy: 1.6157962790528293
Energy: 1.58215714542803
Energy: 1.5935085004967402
Energy: 1.5821571454433345
Energy: 1.5927909134571498
Energy: 1.5989045737965382
Energy: 1.500963588775621
Energy: 1.5989045738041903
Energy: 1.6639007780643673
Energy: 1.589152697961187
Energy: 1.5927858013650729
Energy: 1.589152697964588

minimum gb energy = 1.482943718809059 eV
minimum distance =  2.17039176975227 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.4074492922788153
Energy: 1.6813411364042048
Energy: 1.575772758621145
Energy: 1.4076766726952779
Energy: 1.4313308923130834
Energy: 1.5441454317410452
Energy: 1.4338941632413624
Energy: 1.5441454317430527
Energy: 1.4304399920301136
Energy: 1.5346796030061824
Energy: 1.4070451332614975
Energy: 1.5346796030067746
Energy: 1.414566158387685
Energy: 1.4306221396273895
Energy: 1.4298116621952623
Energy: 1.4306221396273895
Energy: 1.4273964190339692
Energy: 1.4294622014155964
Energy: 1.4143388222415512
Energy: 1.4294622014141487
Energy: 1.428283674912075
Energy: 1.536616894266175
Energy: 1.4143042857005796
Energy: 1.5366168942650233
Energy: 1.4073147221083206
Energy: 1.5347954327686624
Energy: 1.4289006903607704
Energy: 1.53479543276807
Energy: 1.4327823374604527
Energy: 1.4354175270464018
Energy: 1.4168779887436256
Energy: 1.4354175270478498
Energy: 1.4155533167034375
Energy: 1.4317692774069533
Energy: 1.4339250848823795
Energy: 1.431769277403202

minimum gb energy = 1.4070451332614975 eV
minimum distance =  2.17657436066921 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.884659293470994
Energy: 1.5661385564467554
Energy: 1.5693722985268912
Energy: 1.333277035567889
Energy: 1.5745979935813779
Energy: 1.3712291492062854
Energy: 1.6363438897036604
Energy: 1.3712291492046789
Energy: 1.609106399345536
Energy: 1.4734777601127067
Energy: 1.6245514225490267
Energy: 1.4734777601119036
Energy: 1.3881178886565948
Energy: 1.3600117883541205
Energy: 1.5762440612255209
Energy: 1.3600117883019889
Energy: 1.3657784623800353
Energy: 1.3615217610139907
Energy: 1.6081241771282517
Energy: 1.3615217610147938
Energy: 1.3619565276908656
Energy: 1.3617101028606537
Energy: 1.6053858798451683
Energy: 1.3617101028590475
Energy: 1.3622442738991183
Energy: 1.3592435255282447
Energy: 1.5806625226171829
Energy: 1.3592435255282447
Energy: 1.376294673832265
Energy: 1.3686364210723623
Energy: 1.7638528574983046
Energy: 1.368636421069953
Energy: 1.3965995775380566
Energy: 1.4170233961351923
Energy: 1.8229978564729457
Energy: 1.417023396139208
Energy: 1.6330941761157804
Energy: 1.3384823688989815
Energy: 1.3461709487606384
Energy: 1.3384823688965723
Energy: 1.3929155156239696
Energy: 1.338554467341299
Energy: 1.339143158185588
Energy: 1.338554467341299
Energy: 1.8232291351673158
Energy: 1.3352502678476923
Energy: 1.3366156046828166
Energy: 1.3352502678468892
Energy: 1.8390946689278551
Energy: 1.3366769165623413
Energy: 1.3353412439266488
Energy: 1.3366769165623413
Energy: 1.3613071191094168
Energy: 1.4150105539843791
Energy: 1.6097807272294098
Energy: 1.4150105539811666
Energy: 1.3669410552424683
Energy: 1.3630735103465275
Energy: 1.6070372032944542
Energy: 1.3630735103561655
Energy: 1.3709404437956598
Energy: 1.3659580460286695
Energy: 1.5738258475398679
Energy: 1.3659580460551735
Energy: 1.3614387375224852
Energy: 1.361486409128835
Energy: 1.3827376642019436
Energy: 1.361486409124819
Energy: 1.6058673933559768
Energy: 1.374620651009246
Energy: 1.362536686855686
Energy: 1.374620651013262
Energy: 1.6435564473393054
Energy: 1.475617042431502
Energy: 1.595080982578341
Energy: 1.4756170424339117
Energy: 1.5799981966482122
Energy: 1.3601042440028508
Energy: 1.3834322243044257
Energy: 1.3601042442709563
Energy: 1.6287153859736396
Energy: 1.3642838648380426
Energy: 1.578343043588932
Energy: 1.3642838648412554
Energy: 1.6079306141512901
Energy: 1.360803466161654
Energy: 1.359943410436042
Energy: 1.3608034661584414
Energy: 1.5820958203673288
Energy: 1.361641101165124
Energy: 1.3633673761698586
Energy: 1.3616411011627143
Energy: 1.8536578485267652
Energy: 1.3681713280170784
Energy: 1.3766532526332302
Energy: 1.3681713280130625
Energy: 1.8367586044137703
Energy: 1.4150607786314213
Energy: 1.3931943966397644
Energy: 1.4150607786322245
Energy: 1.335890630217438
Energy: 1.3403483989226561
Energy: 1.6329323270564715
Energy: 1.340348398928278
Energy: 1.3390984191742872
Energy: 1.3385013705678246
Energy: 1.3961987951059034
Energy: 1.338501370564612
Energy: 1.337402870697969
Energy: 1.3379880187401199
Energy: 1.4225709360779613
Energy: 1.3379880187409232
Energy: 1.335601393656339
Energy: 1.3374237715125659
Energy: 1.856794869997483
Energy: 1.337423771514975
Energy: 1.6318461342044095
Energy: 1.414114822021553
Energy: 1.3888249766977045
Energy: 1.4141148220247657
Energy: 1.608940428583002
Energy: 1.3655425128797707
Energy: 1.3728603886883308
Energy: 1.3655425128789676
Energy: 1.5737405514574372
Energy: 1.3641516909274902
Energy: 1.372070780923277
Energy: 1.3641516909250806
Energy: 1.3858800375511653
Energy: 1.3609455136430202
Energy: 1.360188462927035
Energy: 1.3609455134487314

minimum gb energy = 1.333277035567889 eV
minimum distance =  2.15268321759445 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 2.0097107961653133
Energy: 1.2962669656065147
Energy: 1.516515216709056
Energy: 1.2652604936634673
Energy: 1.3030756098417318
Energy: 1.3021152456516454
Energy: 1.611758350323439
Energy: 1.3021152456483138
Energy: 1.6187437347500226
Energy: 1.439720079253418
Energy: 1.6155913618338615
Energy: 1.4397200792490266
Energy: 1.319515231134693
Energy: 1.441561381586918
Energy: 1.5907663786422106
Energy: 1.4415613815902495
Energy: 1.2956601188763726
Energy: 1.2947620561569386
Energy: 1.6028807047852154
Energy: 1.2947620561613808
Energy: 1.2952838190051077
Energy: 1.295174558624842
Energy: 1.6034106765034806
Energy: 1.2951745586137373
Energy: 1.2919350987654918
Energy: 1.2932251166200563
Energy: 1.5914274740001357
Energy: 1.2932251166267192
Energy: 1.2959244174061981
Energy: 1.3053723189657274
Energy: 1.8556891978987118
Energy: 1.305372318964617
Energy: 1.5923415968544834
Energy: 1.3779258924363573
Energy: 1.860667347291869
Energy: 1.3779258924319155
Energy: 1.6624737780274987
Energy: 1.309488978514184
Energy: 1.307200037766258
Energy: 1.309488978517516
Energy: 1.5929831889457464
Energy: 1.2946594566306329
Energy: 1.291828731276842
Energy: 1.294659456632854
Energy: 1.8486038343619187
Energy: 1.296802122851436
Energy: 1.2968228024731299
Energy: 1.2968021228492148
Energy: 1.8487522108795225
Energy: 1.2950684932562884
Energy: 1.2949041006694217
Energy: 1.2950684932529568
Energy: 1.2953485166021437
Energy: 1.4377343269516563
Energy: 1.614519240568481
Energy: 1.4377343269472143
Energy: 1.3155974705161342
Energy: 1.4391659413621094
Energy: 1.6140666264293573
Energy: 1.4391659413576676
Energy: 1.3159099001858556
Energy: 1.29818690086776
Energy: 1.297347311801437
Energy: 1.2981869008744231
Energy: 1.295651150614526
Energy: 1.2966006778883712
Energy: 1.607608549399403
Energy: 1.2966006778939234
Energy: 1.3158753318391383
Energy: 1.3068362171679562
Energy: 1.6135753441484573
Energy: 1.306836217172398
Energy: 1.2918994196882185
Energy: 1.293698601834726
Energy: 1.853019843273521
Energy: 1.2936986018358367
Energy: 1.299461646755741
Energy: 1.3076599954382613
Energy: 1.8887570537240808
Energy: 1.3076599954382613
Energy: 1.603721701201751
Energy: 1.3743323121077944
Energy: 1.297106879123849
Energy: 1.374332312113347
Energy: 1.6059707754425816
Energy: 1.2983598574304491
Energy: 1.3029980321154448
Energy: 1.2983598574260071
Energy: 1.297005904639516
Energy: 1.2950510543313485
Energy: 1.2975388222969624
Energy: 1.2950510543346798
Energy: 1.8490334839853546
Energy: 1.2952413272957204
Energy: 1.2939717635500378
Energy: 1.2952413273034937

minimum gb energy = 1.2652604936634673 eV
minimum distance =  2.15986376970741 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 2.145484540555137
Energy: 1.5083745299682536
Energy: 1.5074235305763
Energy: 1.2522867703500251
Energy: 1.2740025093737963
Energy: 1.277284666772953
Energy: 1.4706089583670379
Energy: 1.2772846667791302
Energy: 1.634738980199987
Energy: 1.2688692884654493
Energy: 1.4988607635510918
Energy: 1.268869288492904
Energy: 1.6971673324139356
Energy: 1.3494093141891432
Energy: 1.4558945592270762
Energy: 1.3494093141987527
Energy: 1.440256266484515
Energy: 1.2530467503814937
Energy: 1.7058569804736814
Energy: 1.2530467503808074
Energy: 1.2546202818786172
Energy: 1.2525178429437174
Energy: 1.6602433625353434
Energy: 1.2525178429437174
Energy: 1.2538914958676017
Energy: 1.2526869351630945
Energy: 1.289242552327334
Energy: 1.2526869351665262
Energy: 1.2642159751735398
Energy: 1.2559810794312851
Energy: 1.6935210792332496
Energy: 1.2559810794271666
Energy: 1.6718739473609807
Energy: 1.2597641136335989
Energy: 1.6329624318630183
Energy: 1.2597641136384032
Energy: 1.4952986785475633
Energy: 1.3538665988964809
Energy: 1.4923282780406668
Energy: 1.3538665988992264
Energy: 1.6650884868593525
Energy: 1.2685155888191557
Energy: 1.2835072063818012
Energy: 1.2685156231333548
Energy: 1.6597584449269596
Energy: 1.274127976128422
Energy: 1.461261905347622
Energy: 1.2741279761318538
Energy: 1.6667664841530538
Energy: 1.2699818265993854
Energy: 1.2706641250831634
Energy: 1.2699818265993854
Energy: 1.2702311065247296
Energy: 1.2707867415556389
Energy: 1.2736198091126891
Energy: 1.2707867415631888
Energy: 1.690837890255663
Energy: 1.2745941105652179
Energy: 1.278301401171539
Energy: 1.274594110561786
Energy: 1.6930946238515054
Energy: 1.2721490253152437
Energy: 1.275909003031518
Energy: 1.2721490253138708
Energy: 1.2696477871239837
Energy: 1.4673620475692482
Energy: 1.7411252670535708
Energy: 1.4673620469936346
Energy: 1.2701701833962293
Energy: 1.2705813628968914
Energy: 1.6715664915451687
Energy: 1.2705813628982643
Energy: 1.2943422549847534
Energy: 1.2772224346457839
Energy: 1.628909397002119
Energy: 1.2772224346505883
Energy: 1.2731513087481376
Energy: 1.2708418775200576
Energy: 2.1445429635121847
Energy: 1.2708418775268586
Energy: 1.483207846801079
Energy: 1.2741086105404233
Energy: 1.2711119741138517
Energy: 1.2741086105164006
Energy: 1.5070472488477606
Energy: 1.2695404767315714
Energy: 1.6920407326383904
Energy: 1.2695404767336307
Energy: 1.4574611477464956
Energy: 1.3456065636767065
Energy: 1.6938744344182883
Energy: 1.3456065636760202
Energy: 1.865991749052615
Energy: 1.2548514181654664
Energy: 1.4775792975323891
Energy: 1.2548514181627208
Energy: 1.6595762769730937
Energy: 1.2516947748977947
Energy: 1.2532599853071928
Energy: 1.2516947748977947
Energy: 1.4580088410034342
Energy: 1.2540102315114228
Energy: 1.2567660247865964
Energy: 1.2540102315059318
Energy: 2.144464945062656
Energy: 1.2610281089681958
Energy: 1.2619660243340132
Energy: 1.2610281089675095
Energy: 1.4618031528377504
Energy: 1.255527331759233
Energy: 1.6920811510734222
Energy: 1.255527331757174
Energy: 1.472957130115278
Energy: 1.3494249768002577
Energy: 1.5050362259533865
Energy: 1.3494249768002577
Energy: 1.2856463735786223
Energy: 1.2694275084789182
Energy: 1.6630614597953877
Energy: 1.2694275078250585
Energy: 1.4587147614896387
Energy: 1.2709721175808204
Energy: 1.6609960271636888
Energy: 1.270972117583566
Energy: 1.2699929012446036
Energy: 1.2712330683877677
Energy: 1.6616338789358425
Energy: 1.271233068386395
Energy: 1.2697696958636986
Energy: 1.2681672744852694
Energy: 1.494191260071654
Energy: 1.268167274489388
Energy: 1.2835486542429952
Energy: 1.2764473076431606
Energy: 1.7107582027347494
Energy: 1.276447307640415
Energy: 1.2789240502609778
Energy: 1.3208120115639435
Energy: 1.6926656014278851
Energy: 1.3208120115660023
Energy: 1.9347585777359608
Energy: 1.2882196966212194
Energy: 1.2720359378108705
Energy: 1.2882196966322013
Energy: 1.6699130406905194
Energy: 1.269155548969889
Energy: 1.2696952449606846
Energy: 1.2691555489705753
Energy: 1.6324419810677566
Energy: 1.2940233921627138
Energy: 1.2710807564499886
Energy: 1.2940233921634001

minimum gb energy = 1.2516947748977947 eV
minimum distance =  2.17029091002174 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 2.271712874535739
Energy: 1.157108393054049
Energy: 1.4190083966608091
Energy: 1.1498130940695883
Energy: 1.1585959819870209
Energy: 1.2817777074289112
Energy: 1.1557766902417936
Energy: 1.2817777074271153
Energy: 1.1454027651134793
Energy: 1.2845527817144355
Energy: 1.1910389593375548
Energy: 1.28455278171264
Energy: 1.1498019270232647
Energy: 1.2699124054704325
Energy: 1.1573142607857474
Energy: 1.2699124054722284
Energy: 1.157107535018991
Energy: 1.1580335893960725
Energy: 1.1813668493993235
Energy: 1.1580335893960725
Energy: 1.1581715894961337
Energy: 1.15604665859856
Energy: 1.1798274622329004
Energy: 1.156046658600356
Energy: 1.1572504934887506
Energy: 1.1549876610599439
Energy: 1.158829805029788
Energy: 1.1549876610599439
Energy: 1.155918999381754
Energy: 1.1611306300589057
Energy: 1.1469295324504132
Energy: 1.1611306300589057
Energy: 1.1568032068904488
Energy: 1.1544969406965857
Energy: 1.1460257255058512
Energy: 1.1544969406965857
Energy: 1.1913902054793952
Energy: 1.2882442034521957
Energy: 1.1580911013259554
Energy: 1.2882442034521957
Energy: 1.1591325895989282
Energy: 1.2668531955995868
Energy: 1.145639604988055
Energy: 1.2668531955995868
Energy: 1.1790430074924851
Energy: 1.1560861146932835
Energy: 1.1596949713923448
Energy: 1.1560861146932835
Energy: 1.1785873272051928
Energy: 1.1596757419225172
Energy: 1.1569557564169024
Energy: 1.1596757419207213
Energy: 1.1576636379385006
Energy: 1.1545927179038515
Energy: 1.153909264199363
Energy: 1.1545927179038515
Energy: 1.146674530147792
Energy: 1.1587842504127888
Energy: 1.1618044920532797
Energy: 1.1587842504127888

minimum gb energy = 1.1454027651134793 eV
minimum distance =  2.18872311836284 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 2.010085260028594
Energy: 1.0903640565435655
Energy: 1.3766321067906397
Energy: 1.0829856336978816
Energy: 1.2944633746077112
Energy: 1.0884714113662604
Energy: 1.315339812021873
Energy: 1.0884714113790566
Energy: 1.0927962445689339
Energy: 1.0871150976893345
Energy: 1.3232905592617705
Energy: 1.087115097684818
Energy: 1.5470941142174157
Energy: 1.0895507461604423
Energy: 1.3001607126918135
Energy: 1.089550746145388
Energy: 1.3060382596523619
Energy: 1.0895478178484086
Energy: 1.5748394604379374
Energy: 1.089547817849161
Energy: 1.3149682302479913
Energy: 1.0899136614766207
Energy: 1.321342480248822
Energy: 1.0899136614728573
Energy: 1.3105557056457582
Energy: 1.0880439397148323
Energy: 1.2971736094147253
Energy: 1.0880439397193484
Energy: 1.0971721181160747
Energy: 1.087563491541028
Energy: 1.3294096154542179
Energy: 1.0875634915447914
Energy: 1.0853708189141509
Energy: 1.092187054860793
Energy: 1.3066044006903141
Energy: 1.0921870548562767
Energy: 1.0867366056500645
Energy: 1.0882363654253846
Energy: 1.3062620015980588
Energy: 1.0882363654238791
Energy: 1.0913102721090038
Energy: 1.0887158641647257
Energy: 2.0096940592565447
Energy: 1.0887158641722527
Energy: 1.3228288580838723
Energy: 1.157963576287472
Energy: 1.3050446418235762
Energy: 1.1579635762911673
Energy: 1.3470208478159216
Energy: 1.157972442608885
Energy: 1.296288449836059
Energy: 1.157972442614907
Energy: 1.301046286334791
Energy: 1.1625596410182382
Energy: 1.5481783760459926
Energy: 1.1625596410070156
Energy: 1.3286716906198992
Energy: 1.0903912721603497
Energy: 1.3029471256597844
Energy: 1.0903912721498117
Energy: 1.32606688017251
Energy: 1.0891586822781478
Energy: 1.0919822134530712
Energy: 1.0891586822721262
Energy: 1.29623377233044
Energy: 1.0870450258681472
Energy: 1.0884317015507554
Energy: 1.0870450258651363
Energy: 2.007606391549973
Energy: 1.0873416584417723
Energy: 1.0894547317702432
Energy: 1.087341658431234
Energy: 1.4935022197330605
Energy: 1.1059208860307665
Energy: 1.2963820839749882
Energy: 1.10592088603453
Energy: 1.3048806754494735
Energy: 1.086018193500245
Energy: 1.3217263687997898
Energy: 1.0860181934889543
Energy: 1.5431084763883933
Energy: 1.0868219408534807
Energy: 1.295624259789635
Energy: 1.0868219408519755
Energy: 1.3040191034335298
Energy: 1.0867526524560611
Energy: 1.3152521945331959
Energy: 1.0867526524688575
Energy: 1.3131055213048475
Energy: 1.0903829007582295
Energy: 1.3188341526478284
Energy: 1.0903829007612404
Energy: 1.093692354439126
Energy: 1.0859338475395974
Energy: 1.3020859183001308
Energy: 1.0859338475403502
Energy: 1.2980285131598652
Energy: 1.0886532230915347
Energy: 1.3267357910531747
Energy: 1.088653223099062
Energy: 1.0894421301345143
Energy: 1.0866839688790242
Energy: 1.3234529734683356
Energy: 1.0866839688602061
Energy: 1.0865112063214566
Energy: 1.0862940463126287
Energy: 1.3023171635319404
Energy: 1.0862940463096178
Energy: 1.0863196817644507
Energy: 1.0938558480686855
Energy: 1.12355532788978
Energy: 1.093855848073202
Energy: 1.2950306169230892
Energy: 1.0867236918975418
Energy: 1.495186061272959
Energy: 1.0867236918907672
Energy: 1.3179139218883429
Energy: 1.1628768787005028
Energy: 1.2946695631512524
Energy: 1.1628768786756631
Energy: 1.2978234103352526
Energy: 1.1566547673886927
Energy: 1.5420464284653905
Energy: 1.1566547673977257
Energy: 1.3089611705028283
Energy: 1.088576281879261
Energy: 1.2945976627848046
Energy: 1.08857628187625
Energy: 1.3285929880246516
Energy: 1.0912891396770539
Energy: 1.1102040729161489
Energy: 1.0912891396672684
Energy: 1.5326145961475346
Energy: 1.0867220673422278
Energy: 1.0874130544297664
Energy: 1.0867220673542715
Energy: 1.4922882756553943
Energy: 1.0883726224408783
Energy: 1.0929653579246137
Energy: 1.0883726224325985

minimum gb energy = 1.0829856336978816 eV
minimum distance =  2.18362186228622 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.7615854512486737
Energy: 0.9917685119047545
Energy: 1.2997403412788906
Energy: 0.9930000031009705
Energy: 1.348836418258617
Energy: 0.9921396988954314
Energy: 1.3460712942692188
Energy: 0.9921396988941362
Energy: 1.6991542558464747
Energy: 0.9891328460440239
Energy: 1.3616698600413475
Energy: 0.9891328460427289
Energy: 1.6965300944560986
Energy: 1.115022535534244
Energy: 1.3453776481575395
Energy: 1.115022535532949
Energy: 1.0078703803421198
Energy: 1.1231077032148589
Energy: 1.3529065033991303
Energy: 1.123107703213564
Energy: 1.216352046118209
Energy: 0.989605661885275
Energy: 1.3466727710051498
Energy: 0.989605661885275
Energy: 0.9844303697910775
Energy: 0.9889792367183924
Energy: 1.3492997501596817
Energy: 0.9889792367170974
Energy: 1.0059154571381563
Energy: 0.9908817938732672
Energy: 1.7034966150098299
Energy: 0.9908817938732672
Energy: 0.9901138670799637
Energy: 0.9888161510472081
Energy: 1.7020506624490384
Energy: 0.9888161510472081
Energy: 0.9894376956788304
Energy: 0.992166185257349
Energy: 1.5620174127985735
Energy: 0.992166185258644
Energy: 1.299740341259465
Energy: 0.9930000030944953
Energy: 1.7615854512486737
Energy: 0.9917685118866241
Energy: 1.3460712942653337
Energy: 0.9921396988993163
Energy: 1.1938728596396162
Energy: 0.9921396988967264
Energy: 1.3616698599597896
Energy: 0.9891328460440239
Energy: 1.6991542558451795
Energy: 0.9891328460427289
Energy: 1.3453776481588344
Energy: 1.115022535534244
Energy: 1.6965300932768486
Energy: 1.115022535535539
Energy: 1.3529065033991303
Energy: 1.123107703213564
Energy: 1.0078703803473
Energy: 1.1231077032148589
Energy: 1.191306706082764
Energy: 0.9896056618891601
Energy: 1.3688079212032527
Energy: 0.9896056618904551
Energy: 1.3492997510657965
Energy: 0.9889792367170974
Energy: 0.9844303697936676
Energy: 0.9889792367170974
Energy: 1.7034966150188953
Energy: 0.9908817938745622
Energy: 1.0059154571355662
Energy: 0.9908817938732672
Energy: 1.7020506624360878
Energy: 0.9888161510485031
Energy: 0.9901138670812587
Energy: 0.9888161510472081
Energy: 1.3458205855180612
Energy: 0.992166185258644
Energy: 0.9894376956788304
Energy: 0.992166185258644

minimum gb energy = 0.9844303697910775 eV
minimum distance =  2.19323111084316 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 2.0876607041368778
Energy: 0.8826746480633268
Energy: 1.2151212346164533
Energy: 0.8918189641216286
Energy: 1.7012851704461152
Energy: 0.8805935580086952
Energy: 1.172298167065189
Energy: 0.8805935580097064
Energy: 1.9341629288677344
Energy: 0.8789975801113447
Energy: 1.1811327821993045
Energy: 0.8789975801103334
Energy: 1.4766801276448769
Energy: 0.8806495608253418
Energy: 1.1739664059586814
Energy: 0.880649560822308
Energy: 1.4813376077043439
Energy: 0.9825803580733339
Energy: 1.6990918547218576
Energy: 0.9825803580672665
Energy: 1.4637784299372658
Energy: 0.982274125730313
Energy: 1.703970626321726
Energy: 0.9822741257323355
Energy: 1.4704698807589298
Energy: 0.9820960675203418
Energy: 1.7001985282282308
Energy: 0.9820960675203418
Energy: 1.1721273658423532
Energy: 0.8805155935158753
Energy: 1.7016623574127885
Energy: 0.8805155935168867
Energy: 1.1953908227964292
Energy: 0.8788188678098489
Energy: 1.7006897049380632
Energy: 0.8788188678118714
Energy: 1.1837733558883246
Energy: 0.8806322147569076
Energy: 1.6995465950328748
Energy: 0.8806322147558961
Energy: 0.8796843091886685
Energy: 0.8802426559978849
Energy: 1.7792536309196005
Energy: 0.8802426559948512
Energy: 0.8849790975027502
Energy: 0.8806922253310991
Energy: 1.7002093134182814
Energy: 0.8806922253321103
Energy: 0.881346784822617
Energy: 0.8801022574165072
Energy: 1.4674719739530333
Energy: 0.8801022574175182
Energy: 0.9013689139187762
Energy: 0.8822133528851471
Energy: 1.924009523113971
Energy: 0.8822133528871695
Energy: 1.1852429002694578
Energy: 0.8786694172077282
Energy: 1.9402820685310356
Energy: 0.8786694172087395
Energy: 1.188635492632889
Energy: 0.8810567318950219
Energy: 1.9279436219575596
Energy: 0.8810567318940106
Energy: 1.4814631260762978
Energy: 0.8819623433925822
Energy: 1.95818413858598
Energy: 0.8819623433935935
Energy: 1.1774569862142998
Energy: 0.9845919857279848
Energy: 1.4812195053001025
Energy: 0.9845919857269736
Energy: 1.7010838085948483
Energy: 0.9835482070455761
Energy: 1.4695573208874395
Energy: 0.9835482070445648
Energy: 1.4823495624470426
Energy: 0.9815471478712585
Energy: 1.4695349548282692
Energy: 0.9815471478732809
Energy: 1.7835945431066442
Energy: 0.8824714164242846
Energy: 1.1818113481212653
Energy: 0.8824714163949584
Energy: 1.702056303335185
Energy: 0.8779682748425544
Energy: 0.879724655082126
Energy: 0.877968274844577
Energy: 1.928149554034939
Energy: 0.8839572461311315
Energy: 1.1714694841531825
Energy: 0.8839572461321428
Energy: 1.7130393559351866
Energy: 0.8831607954749249
Energy: 0.8808841688839513
Energy: 0.8831607954729023
Energy: 1.7027212618100518
Energy: 0.8787866411529078
Energy: 0.8797524356681651
Energy: 0.8787866411549303
Energy: 1.9235768780530742
Energy: 0.881947368119912
Energy: 0.8870397372938558
Energy: 0.8819473681189008

minimum gb energy = 0.8779682748425544 eV
minimum distance =  2.19205482822065 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 2.289424035228545
Energy: 0.7988438045133862
Energy: 1.1538407954556011
Energy: 0.8142339829849891
Energy: 1.889707462295494
Energy: 0.8004966153397189
Energy: 1.0412340793685593
Energy: 0.8004966153422061
Energy: 2.0924306690171353
Energy: 0.7978265338990356
Energy: 1.0455593207309548
Energy: 0.7978265339015228
Energy: 1.6865404921616625
Energy: 0.8014729930430148
Energy: 1.047370915524753
Energy: 0.8014729930413567
Energy: 1.6984726369409096
Energy: 0.7956025280422347
Energy: 1.50627054754472
Energy: 0.795602528044722
Energy: 1.691172561799551
Energy: 0.7985419245761685
Energy: 1.4926901994371662
Energy: 0.7985419245786557
Energy: 1.7055511746877847
Energy: 0.885265358790988
Energy: 1.6981166665134744
Energy: 0.885265358790988
Energy: 1.507961860133702
Energy: 0.8908854259048473
Energy: 1.4976716656630764
Energy: 0.8908854259048473
Energy: 1.2868183506522404
Energy: 0.7962326905705561
Energy: 1.8916541474257211
Energy: 0.7962326905771887
Energy: 1.2872296325841261
Energy: 0.7961275797565263
Energy: 1.7009624753502453
Energy: 0.7961275797581844
Energy: 1.0461466751516686
Energy: 0.8042940318407773
Energy: 2.032038795965431
Energy: 0.8042940318457517
Energy: 1.0498610885645039
Energy: 0.7968139734643768
Energy: 1.6996640158542704
Energy: 0.7968139734594024
Energy: 1.046856849442329
Energy: 0.8009173199446771
Energy: 2.084578358945711
Energy: 0.8009173199455062
Energy: 0.7982694530402757
Energy: 0.8025618678260845
Energy: 1.884259377391438
Energy: 0.8025618678260845
Energy: 0.8000388946724648
Energy: 0.7975626638490989
Energy: 1.8903595349223556
Energy: 0.7975626638457827
Energy: 0.8058062345279501
Energy: 0.8003810477497054
Energy: 2.081387470232635
Energy: 0.8003810477513635
Energy: 1.0540485336821097
Energy: 0.8039739599238214
Energy: 2.082078042402065
Energy: 0.8039739599254795
Energy: 1.0434968540888887
Energy: 0.7968604835412378
Energy: 1.8961345398522687
Energy: 0.7968604834707674
Energy: 1.0475767722970195
Energy: 0.7988772111376464
Energy: 1.699967707696713
Energy: 0.7988772111417918
Energy: 1.4933084968610235
Energy: 0.7994992621452182
Energy: 1.6920851726156882
Energy: 0.7994992621402438
Energy: 1.534980610423142
Energy: 0.7969982456951742
Energy: 1.6998216991522088
Energy: 0.7969982456968323
Energy: 1.4943567098279285
Energy: 0.8878487872309982
Energy: 1.6864908519590374
Energy: 0.8878487872301691
Energy: 1.8975659041486936
Energy: 0.8818937819158904
Energy: 1.6896380649460063
Energy: 0.8818937819134032
Energy: 1.4960023820564565
Energy: 0.8899508776707277
Energy: 1.4925415663228647
Energy: 0.8899508776740439
Energy: 1.8906035203414404
Energy: 0.7967174588723545
Energy: 1.2831349632222797
Energy: 0.7967174588690382
Energy: 1.8979048434045052
Energy: 0.798710281908292
Energy: 1.495390862689126
Energy: 0.798710281909121
Energy: 1.8864584615505047
Energy: 0.8022138350359759
Energy: 1.0488718260772714
Energy: 0.8022138350368049
Energy: 1.8939942777308585
Energy: 0.7957701561044256
Energy: 1.05251902523019
Energy: 0.7957701637831337
Energy: 1.8848537789179316
Energy: 0.7986777721923559
Energy: 1.0533033923160091
Energy: 0.7986777721906978
Energy: 1.8911935389923766
Energy: 0.801328088882015
Energy: 0.8006661112890251
Energy: 0.801328088882015
Energy: 2.097520191392335
Energy: 0.7989108027117409
Energy: 0.7994077902526582
Energy: 0.798910802713399
Energy: 2.0804470648832725
Energy: 0.8023197352002656
Energy: 0.7982715419744119
Energy: 0.8023197352002656

minimum gb energy = 0.7956025280422347 eV
minimum distance =  2.1938394644608 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.9907438728860476
Energy: 0.7417721857145373
Energy: 1.1054895555338076
Energy: 0.7547002585281954
Energy: 2.0267246830735473
Energy: 0.7373531047963487
Energy: 0.9409691067751313
Energy: 0.7373531047942419
Energy: 2.2039640836764343
Energy: 0.7360728187779497
Energy: 0.9481119655278006
Energy: 0.7360728187765451
Energy: 1.8527626873254275
Energy: 0.7394654689132346
Energy: 1.3478179491561268
Energy: 0.7394654689111274
Energy: 1.8612179075376836
Energy: 0.7321994466644907
Energy: 1.3343802702299623
Energy: 0.7321994466673002
Energy: 1.8604430834735892
Energy: 0.7342786925095727
Energy: 1.3361398487091594
Energy: 0.7342786925165958
Energy: 1.5103108149143931
Energy: 1.055835713202646
Energy: 1.6849889643084026
Energy: 1.0558357132012413
Energy: 1.6883490641638759
Energy: 1.0551985612647683
Energy: 1.3389482836519155
Energy: 1.0551985612696846
Energy: 1.5074170273647203
Energy: 0.8105184093004327
Energy: 1.6800282885906128
Energy: 0.8105184093004327
Energy: 1.5056830458248103
Energy: 1.0573631539903898
Energy: 1.867084869798696
Energy: 1.0573631539903898
Energy: 1.3429114578907897
Energy: 0.7367167409383346
Energy: 1.7711018165553332
Energy: 0.7367167409860933
Energy: 1.1490040202699472
Energy: 0.7325505222445092
Energy: 2.0264115632188284
Energy: 0.7325505222402952
Energy: 1.3347652769044585
Energy: 0.7337334859568025
Energy: 2.028173608312171
Energy: 0.7337334859575049
Energy: 0.9621314567487043
Energy: 0.7390137950422584
Energy: 1.689533006892677
Energy: 0.7390137950408536
Energy: 0.9594196799453837
Energy: 0.7334034562992106
Energy: 2.035436828481733
Energy: 0.7334034563034244
Energy: 0.9639531677842675
Energy: 0.738684963317937
Energy: 2.029314388652272
Energy: 0.7386849633200441
Energy: 0.7445983879804011
Energy: 0.737556156359166
Energy: 2.0221630965972692
Energy: 0.7375561563563567
Energy: 0.7339205325932542
Energy: 0.7340442140069544
Energy: 2.027037605242584
Energy: 0.7340442140069544
Energy: 0.7430565052240093
Energy: 0.739272329264675
Energy: 1.8614972776853937
Energy: 0.7392723292681868
Energy: 0.9591450401197774
Energy: 0.7374057478425561
Energy: 2.203733857924454
Energy: 0.7374057478425561
Energy: 0.9380356673440216
Energy: 0.7336963372975355
Energy: 2.0251753417164515
Energy: 0.7336963372989401
Energy: 0.9664494174098701
Energy: 0.7381709501137222
Energy: 1.8517952723107198
Energy: 0.7381709501165316
Energy: 1.3464500677597204
Energy: 0.7347564073868227
Energy: 1.8549244875678437
Energy: 0.7347564073882272
Energy: 1.3416478888033732
Energy: 0.73338053390845
Energy: 1.8640263482025388
Energy: 0.7333805339063431
Energy: 1.3541217137813253
Energy: 0.7365046148413911
Energy: 1.5592833447817704
Energy: 0.7365046148273444
Energy: 1.6939617809863061
Energy: 1.0577890092251632
Energy: 1.8649107595340804
Energy: 1.0577890092230562
Energy: 1.3348032199590953
Energy: 0.8078534139265172
Energy: 1.6874622244321298
Energy: 0.8078534139265172
Energy: 1.6907176140715723
Energy: 1.0553971640193374
Energy: 1.529227383359034
Energy: 1.0553971640235513
Energy: 1.6855148273038265
Energy: 1.0557005077539128
Energy: 1.6841911887122174
Energy: 1.0557005077539128
Energy: 1.685514992832041
Energy: 0.7338102255334021
Energy: 1.3505666612906075
Energy: 0.7338102255355091
Energy: 1.8609302808094472
Energy: 0.7324157214211435
Energy: 1.1486251077027512
Energy: 0.7324157214225483
Energy: 1.6956176721142922
Energy: 0.7379228294994233
Energy: 1.3492689696457663
Energy: 0.7379228295001258
Energy: 2.0285685997432688
Energy: 0.7358471418489334
Energy: 0.9561053715072089
Energy: 0.7358471418468264
Energy: 2.02657444260608
Energy: 0.7361585708293785
Energy: 0.9744672243251141
Energy: 0.7361585708293785
Energy: 2.0760503336472786
Energy: 0.7420536043181526
Energy: 0.7587976880375364
Energy: 0.7420536043195572
Energy: 2.204846657556285
Energy: 0.7359719857016523
Energy: 0.7415245737531971
Energy: 0.7359719857002478
Energy: 2.198053761688822
Energy: 0.7369409753183765
Energy: 0.738863083416137
Energy: 0.7369409753155672

minimum gb energy = 0.7321994466644907 eV
minimum distance =  2.19886257727479 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 2.1231073226873143
Energy: 0.6926715009122001
Energy: 0.663119045839091
Energy: 0.6956374180935824
Energy: 2.113044398537945
Energy: 0.6643055134255604
Energy: 0.8568261468910632
Energy: 0.6643055134261695
Energy: 1.9567950961903608
Energy: 0.6638236020559988
Energy: 0.8523237023438295
Energy: 0.6638236020535622
Energy: 1.64486818679682
Energy: 0.6617028662800104
Energy: 1.1902833763179383
Energy: 0.6617028662757466
Energy: 1.9683954990821486
Energy: 0.6611501697016301
Energy: 1.187814934889639
Energy: 0.6611501697022393
Energy: 1.649255712203493
Energy: 0.6622449416797701
Energy: 1.1888454277900735
Energy: 0.6622449416712423
Energy: 1.646331014885298
Energy: 0.6635743025419352
Energy: 1.4970496443406762
Energy: 0.6635743025547268
Energy: 1.8066230607930935
Energy: 0.661434550328205
Energy: 1.1818178265042707
Energy: 0.6614345503068851
Energy: 1.6494372088360412
Energy: 0.9832264615177531
Energy: 1.4990985010661901
Energy: 0.9832264615165348
Energy: 1.6497542382895947
Energy: 1.2277829041515596
Energy: 1.8058877224600336
Energy: 1.2277829041503412
Energy: 1.4968466628456942
Energy: 0.7873561155812366
Energy: 1.5638951140676025
Energy: 0.7873561155830642
Energy: 1.3494489465760338
Energy: 0.6612089426700096
Energy: 1.8059450690451435
Energy: 0.661208942671837
Energy: 1.496109753574639
Energy: 0.6614345272102415
Energy: 1.8045820479003944
Energy: 0.6614345272071958
Energy: 1.1906494227342643
Energy: 0.6633680248628555
Energy: 1.4927044535518807
Energy: 0.6633680248573731
Energy: 1.0170157223189438
Energy: 0.6614768714085065
Energy: 2.110838190884326
Energy: 0.6614768714097248
Energy: 1.1935160232041087
Energy: 0.6644061401033465
Energy: 1.8000216334397052
Energy: 0.6644061400984735
Energy: 0.8499117630125949
Energy: 0.6642181895308449
Energy: 1.7999202254892368
Energy: 0.6642181895284082
Energy: 0.8400059308747476
Energy: 0.6618183329945992
Energy: 2.1163790539333354
Energy: 0.6618183329909721
Energy: 0.8620837421907234
Energy: 0.6638809934937181
Energy: 2.102639160824877
Energy: 0.6638809934955455
Energy: 0.6624679478521449
Energy: 0.6621196783251675
Energy: 2.102194489427548
Energy: 0.6621196783233402
Energy: 0.6627136553946325
Energy: 0.6622282704446942
Energy: 2.271051363067418
Energy: 0.6622282704428668
Energy: 0.6618098885288846
Energy: 0.6655530350398622
Energy: 1.9512467022254092
Energy: 0.6655530350404714
Energy: 0.8572217755134259
Energy: 0.663761062843878
Energy: 2.2745362547515637
Energy: 0.6637610628414414
Energy: 0.8451718160665957
Energy: 0.6616003598501008
Energy: 2.112102948641601
Energy: 0.6616003598494916
Energy: 0.8534563314335452
Energy: 0.6626606049064557
Energy: 1.6455547414948821
Energy: 0.6626606049082832
Energy: 1.1882580699196654
Energy: 0.6622425825876976
Energy: 2.110089480244191
Energy: 0.6622425825840428
Energy: 1.1880734744090318
Energy: 0.661386845292568
Energy: 1.9585330997977168
Energy: 0.6613868452943954
Energy: 1.1951016471749356
Energy: 0.6623524089980931
Energy: 1.669031302442388
Energy: 0.6623524090041846
Energy: 1.5059950433878255
Energy: 0.662816961936709
Energy: 1.9679845092308839
Energy: 0.6628169619354908
Energy: 1.4976916007768741
Energy: 0.6615500446608781
Energy: 1.6509982493782542
Energy: 0.6615500441336166
Energy: 1.66515140995532
Energy: 0.7870643790256209
Energy: 1.346007610831658
Energy: 0.78706437902623
Energy: 1.5021175926509422
Energy: 0.7870874100829425
Energy: 1.6642897228106024
Energy: 0.7870874100853791
Energy: 1.8083250968900688
Energy: 0.6631802805954732
Energy: 1.3384831268754196
Energy: 0.6631802806064375
Energy: 1.9674257545590141
Energy: 0.6611529725973144
Energy: 1.344601629470635
Energy: 0.6611529725510479
Energy: 1.5581648121548006
Energy: 0.6634780837930083
Energy: 1.1905289148269302
Energy: 0.6634780837838713
Energy: 2.112589734135813
Energy: 0.6614857581465238
Energy: 1.1881749197188116
Energy: 0.661485758147133
Energy: 2.1070783617032918
Energy: 0.6623316522728575
Energy: 1.185794472786524
Energy: 0.6623316522764846
Energy: 1.8054722539276125
Energy: 0.6617717812380164
Energy: 0.8535627046672231
Energy: 0.6617717812367981
Energy: 1.9679283253993372
Energy: 0.6613544967616887
Energy: 0.84473411497844
Energy: 0.6613544967592521
Energy: 2.10240448631199
Energy: 0.6621549399768708
Energy: 0.8580343596086613
Energy: 0.6621549399786981
Energy: 1.7998125523468997
Energy: 0.6620450115853647
Energy: 0.6616258605071623
Energy: 0.6620450115847555
Energy: 2.113766236031108
Energy: 0.6619871830921109
Energy: 0.6622807760450442
Energy: 0.6619871830902834
Energy: 1.950979549453367
Energy: 0.6618120416458501
Energy: 0.6619138384876552
Energy: 0.6618120416464591

minimum gb energy = 0.6611501697016301 eV
minimum distance =  2.19230663713429 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.02020694598923813
Energy: 0.5827303659880125
Energy: 1.7388572900887167
Energy: 0.02216367360823636
Energy: 1.3103248137378374
Energy: 0.16534773688264504
Energy: 1.314267839667416
Energy: 0.1653477368817085
Energy: 0.020815647369229504
Energy: 0.16289713308897044
Energy: 1.3125134704850414
Energy: 0.16289713308574455
Energy: 0.022614296424544083
Energy: 0.16325687399156633
Energy: 1.3094088279540228
Energy: 0.1632568739924508
Energy: 1.3116257414122483
Energy: 0.1629565401677817
Energy: 1.3115991019330933
Energy: 0.16295654017007102
Energy: 0.020773415281419752
Energy: 0.16239124725187296
Energy: 1.3120031824764176
Energy: 0.16239124725052018

minimum gb energy = 0.02020694598923813 eV
minimum distance =  2.45527297278166 Angstroms
sigma value = 1