Model name: model_name=Sim_LAMMPS_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.658403441309929
cohesive_energy=3.892708434526503
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.014679755168599356
Energy: 0.015242226211824198
Energy: -0.14325683535520842
Energy: 0.015242226212436618
Energy: 0.015242226212436618
Energy: 1.0879167196333197
Energy: 0.015242226211824198
Energy: 1.0879167196321287
Energy: -0.14325683535639927
Energy: 0.015242226211824198
Energy: 0.014679755168599356
Energy: 0.015242226211824198
Energy: 0.015242226212436618
Energy: 1.0879167196321287
Energy: 0.015242226212436618
Energy: 1.0879167196315165

minimum gb energy = -0.14325683535639927 eV
minimum distance =  2.49821183284023 Angstroms
sigma value = 1


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

Energy: -1.8355480388594976
Energy: 0.7370769067248298
Energy: 0.2781540632362927
Energy: 0.7370769067270581
Energy: -2.259797761072238
Energy: -2.0738525852680234
Energy: -2.3483857376309714
Energy: -2.0738627033263035
Energy: 0.2313388504375521
Energy: 0.7132122172660063
Energy: -2.4386528892327375
Energy: 0.7132122172630352
Energy: -2.245660585884004
Energy: 0.6760336906090724
Energy: -2.526262430022066
Energy: 0.676033690607587
Energy: -2.0172592061796766
Energy: 0.7284432326471248
Energy: -2.083471803110605
Energy: 0.7284432326478675
Energy: -2.3199130446722704
Energy: 0.9034859059513416
Energy: -1.9964984679658746
Energy: 0.9034859059498562
Energy: -2.511473389431105
Energy: 0.6986932423759877
Energy: -2.473286065417659
Energy: 0.698693242375245
Energy: -2.045633458302262
Energy: 0.7319110111244647
Energy: 0.32780292249336973
Energy: 0.7319110111222364
Energy: -2.3681887206228223
Energy: -2.133565461845772
Energy: -2.281002123431987
Energy: -1.9467191110984707
Energy: -1.9981275491108987
Energy: 0.7138269021125356
Energy: 0.25184387178712714
Energy: 0.7138269021132784
Energy: -2.456396279233459
Energy: -2.3987509433815846
Energy: -2.3666495334242086
Energy: -2.423907288886714
Energy: 0.29100631069766836
Energy: 0.7371182309868332
Energy: -2.353091676483871
Energy: 0.7371182309846049
Energy: -2.35427180451415
Energy: 0.7072370425025033
Energy: -2.5329435387848305
Energy: 0.7072370425010179
Energy: -2.4655016257937543
Energy: 0.7140496144629247
Energy: -2.3059696736663926
Energy: 0.7140496144636673
Energy: -2.162153996401541
Energy: 0.728516904512203
Energy: -2.6076253283579
Energy: 0.728516904512203
Energy: -2.094720068075446
Energy: 0.720512161422209
Energy: -2.4382265211795415
Energy: 0.7205121614214663
Energy: -2.484340976069417
Energy: 0.7136486505872393
Energy: -2.1503485026415916
Energy: 0.7136486505887248
Energy: -2.3859121087946527
Energy: 0.6367965375934357
Energy: -2.3305579712121998
Energy: 0.636796537592693
Energy: 0.13597769345909413
Energy: 0.7370442424328933
Energy: -2.4639678334868984
Energy: 0.7370442424306651
Energy: -2.6522516963445186
Energy: -2.0379986092151565
Energy: -2.258669408164249
Energy: -2.038009673071148
Energy: -1.7854108567619693
Energy: 0.7121744184287389
Energy: 0.25388614320491515
Energy: 0.7121744184324527
Energy: -2.268748851846965
Energy: -2.4055173963618
Energy: -2.372177907854503
Energy: -2.648056332616697
Energy: -1.915728260856502
Energy: 0.7279557338211866
Energy: -1.9954134132599541
Energy: 0.7279557338211866
Energy: -1.961018696751785
Energy: 0.7067770845523466
Energy: -2.2739279037974747
Energy: 0.7067770845516039
Energy: -2.479524710780507
Energy: 0.9093541847109742
Energy: -2.65893049500727
Energy: 0.9093541847102316
Energy: -1.9213859341201216
Energy: 0.7351951864232781
Energy: -2.084987168576833
Energy: 0.7351951864240209
Energy: -2.009561359183301
Energy: 0.9001265947436443
Energy: -2.546631606190227
Energy: 0.9001265947458725
Energy: 0.231530721739082
Energy: 0.7151839876627041
Energy: -2.4344480715574797
Energy: 0.7151839876619613
Energy: -2.5791011986142887
Energy: -2.3148208694960646
Energy: -2.3512455136352286
Energy: -2.254336638903641
Energy: -2.745579809954256
Energy: 0.7366957886990143
Energy: -1.9521858200124862
Energy: 0.7366957887004997
Energy: -2.3942432934301334
Energy: 0.7138912228696993
Energy: -2.6225635491292176
Energy: 0.7138912228726703
Energy: -1.9651388483874785
Energy: 0.7048266487100738
Energy: -2.4556956340605622
Energy: 0.7048266487123019
Energy: -1.8817633979981685
Energy: 0.7430424555573396
Energy: -2.4414988650043123
Energy: 0.7430424555573396

minimum gb energy = -2.745579809954256 eV
minimum distance =  2.23518913842921 Angstroms
sigma value = 1


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

Energy: -1.7014401880839294
Energy: 0.8142712171873693
Energy: 0.34918327186679454
Energy: 0.8142712171882163
Energy: -1.562155778513489
Energy: 0.723870603632442
Energy: -1.82174969708944
Energy: 0.723870603627361
Energy: -1.4219574266755213
Energy: 0.8150553913538586
Energy: -1.6579383163887582
Energy: 0.8150553913538586
Energy: -1.5061293141700753
Energy: 0.774536222403007
Energy: -1.4294647321642504
Energy: 0.774536222403007
Energy: -1.556482448961294
Energy: 0.7815685343621352
Energy: 0.48819621011816794
Energy: 0.7815685343604415
Energy: -1.7346537062211438
Energy: 0.7827074131638034
Energy: -1.2576951672425116
Energy: 0.7827074131629567
Energy: -1.5504380072252766
Energy: -1.6618454829107265
Energy: -1.6336733061835216
Energy: -1.7412645228716235
Energy: 0.3018998913021392
Energy: 0.8152371286187495
Energy: -1.2199430689618198
Energy: 0.8152371286170559
Energy: -1.5751206558413524
Energy: 0.8972665354839654
Energy: -1.8948137019629094
Energy: 0.8972665354898933
Energy: -1.5593335636826022
Energy: 0.8152894322977303
Energy: -1.2908430359090217
Energy: 0.8152894323002324
Energy: -1.627788796203988
Energy: 0.6639945539696357
Energy: -1.5874720157242628
Energy: 0.6639945522640047
Energy: -1.4250860522859459
Energy: 0.798023466301425
Energy: -1.7529392888587674
Energy: 0.7980234663005781
Energy: -1.8379845685388567
Energy: 0.7845577098511555
Energy: 0.4817339580625838
Energy: 0.7845577098494617
Energy: -1.8753735934663063
Energy: 0.7850846552010652
Energy: -1.460392371740749
Energy: 0.7850846552019122
Energy: -1.5627068100240495
Energy: 0.7978622357889625
Energy: -1.7052211223106755
Energy: 0.7978622357889625
Energy: -1.7962975273937787
Energy: 0.672062323243671
Energy: -1.8633016568653136
Energy: 0.6720623232335472
Energy: -1.7178811971968708
Energy: 0.8153341728757524
Energy: 0.2885983449326329
Energy: 0.8153341728765994
Energy: -1.561184574914224
Energy: 0.8985475671485651
Energy: -1.8941663019116664
Energy: 0.8985475671417902
Energy: 1.1489286349833467
Energy: 0.8147527619125298
Energy: -1.3076692627884587
Energy: 0.8147527619116828
Energy: -1.720260408031273
Energy: -1.8003135314378396
Energy: -1.464102478456242
Energy: -1.6540114283438845
Energy: -1.9111414711149834
Energy: 0.781962151006874
Energy: -1.1927481642744735
Energy: 0.781962151006874
Energy: -1.5379001413202356
Energy: 0.7816796813411167
Energy: 0.48331809086386085
Energy: 0.781679681338576
Energy: -1.7405737609781038
Energy: 0.7713357090229316
Energy: -1.6282737910950122
Energy: 0.7713357090237783
Energy: -1.3403131090267026
Energy: 0.8153140554509448
Energy: -1.6917764193359623
Energy: 0.8153140554509448
Energy: -1.6113659759637493
Energy: 0.7333487254804958
Energy: -1.8789888103657468
Energy: 0.7333487254830362
Energy: -1.8349635978001604
Energy: 0.8142712171873693
Energy: -1.2907271778038771
Energy: 0.8142712171865226
Energy: -1.5681880086362816
Energy: 0.7238706036265141
Energy: -1.5741593132116147
Energy: 0.7238706036290548
Energy: -1.3773186172763543
Energy: 0.8150553913521649
Energy: -1.657931753469383
Energy: 0.8150553913521649
Energy: -1.5673994885054907
Energy: 0.774536222403007
Energy: -1.715638830384483
Energy: 0.7745362224021602

minimum gb energy = -1.9111414711149834 eV
minimum distance =  2.23327378185562 Angstroms
sigma value = 25


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

Energy: -1.3384448275511411
Energy: 0.869049333295225
Energy: 0.4239486775800222
Energy: 0.8690493332942406
Energy: -1.3063133754726306
Energy: 0.7142306357517635
Energy: -1.396515214532568
Energy: 0.714230635531338
Energy: -0.7616698969577227
Energy: 0.9198058564784697
Energy: -0.9476518352504453
Energy: 0.9198058564784697
Energy: -0.6590271716268078
Energy: 0.9040558283705243
Energy: -0.9787434431255329
Energy: 0.9040558283734775
Energy: -1.0187417132358614
Energy: 0.8826015094048634
Energy: 0.4848764475117051
Energy: 0.8826015094058478
Energy: -1.2807530806516527
Energy: 0.9290288362087987
Energy: -0.8858329140664427
Energy: 0.9290288362087987
Energy: -0.5286969951671435
Energy: -0.9858974072761795
Energy: -1.4420091784604903
Energy: -0.9999342247222032
Energy: -1.2078030317170492
Energy: 0.872163009358516
Energy: -1.1040374536483504
Energy: 0.872163009358516
Energy: -1.3631387419158052
Energy: 0.6677012332073515
Energy: -1.1376507208923539
Energy: 0.6677014329701784
Energy: -1.1124027331925688
Energy: 0.9214534404748181
Energy: -0.9437572067333804
Energy: 0.9214534404748181
Energy: -0.8231588294524878
Energy: 0.8910620598652216
Energy: -1.1395385435717957
Energy: 0.8910620598652216
Energy: -1.108398538580486
Energy: 0.8805412579759236
Energy: -1.184605035982637
Energy: 0.8805412579759236
Energy: -1.0894415582055952
Energy: 0.8954446453559962
Energy: -0.9925346681803395
Energy: 0.8954446453559962
Energy: -1.3141064665528728
Energy: -1.1940272876079856
Energy: -1.1406944164833983
Energy: -0.9539919069274791
Energy: 0.3744041660582649
Energy: 0.8773769464214757
Energy: -1.0855999992213652
Energy: 0.8773769464204911
Energy: -1.4468711832068437
Energy: 0.9536551120777487
Energy: -1.090768230468716
Energy: 0.9536520335446561
Energy: 0.4371357978026637
Energy: 0.9197558454151739
Energy: 0.43257333157602773
Energy: 0.9197558454161583
Energy: -1.0837426925761584
Energy: 0.7624592939514359
Energy: -0.9665733012795884
Energy: 0.7624592939534047
Energy: -0.702944343753314
Energy: 0.8942197591978213
Energy: -1.2176747141545987
Energy: 0.8942197591968368
Energy: -1.1144282158942436
Energy: 0.928857351571665
Energy: -0.9944111783374495
Energy: 0.9288573515706806
Energy: -1.451576064397871
Energy: 0.8692230807601607
Energy: -1.3101729083471576
Energy: 0.8692230807601607
Energy: -1.3050368770829037
Energy: 0.8698982114052232
Energy: -1.0204940176529027
Energy: 0.8698982114052232
Energy: -1.09115009369921
Energy: 0.7583210651468234
Energy: -1.2843321217183303
Energy: 0.7583210098920208
Energy: -0.85351512521695
Energy: 0.9185021004325261
Energy: -1.0297508538549427
Energy: 0.9185021004315417
Energy: -1.259449532852766
Energy: -1.1076173371376257
Energy: -1.0620130382507544
Energy: -1.2525821331664764

minimum gb energy = -1.451576064397871 eV
minimum distance =  2.18974433884152 Angstroms
sigma value = 9


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

Energy: -0.3026400996685028
Energy: 1.0026905111730062
Energy: -1.4443768950889289
Energy: 1.0026905111741806
Energy: -0.965215066897479
Energy: 0.8395462280497932
Energy: -1.4129031445318148
Energy: 0.8395462280310034
Energy: -0.32240290347284223
Energy: 1.0043440529850347
Energy: 0.7198798610805172
Energy: 1.0043440529850347
Energy: -0.7014884194314478
Energy: 1.0395892116434253
Energy: -0.3727054630807709
Energy: 1.039589211642251
Energy: -0.7783686359000394
Energy: 0.8733426761741895
Energy: 0.7239917495070296
Energy: 0.8733396587738397
Energy: 0.5464873478922244
Energy: 1.006999337386288
Energy: -0.6286973372906387
Energy: 1.0069993373851136
Energy: -0.9182337810697547
Energy: -0.4822508352905645
Energy: -0.45543187958090986
Energy: -0.5242821282892982
Energy: -0.28177411430129196
Energy: 1.0068418363100822
Energy: -0.4970472274326423
Energy: 1.0068418363077336
Energy: -1.273367936951066
Energy: 0.8167214824076056
Energy: 0.7083799590547377
Energy: 0.8167267771295744
Energy: -0.7756314352917378
Energy: 1.009724787076191
Energy: -0.596515757127314
Energy: 1.009724787076191
Energy: -0.512900931289799
Energy: 0.9748634549219822
Energy: -0.25510464169506486
Energy: 0.9748634549219822
Energy: -0.6429557576727262
Energy: 0.8345800222744904
Energy: -0.39653149829765544
Energy: 0.8345800222298644
Energy: -0.2631671614135755
Energy: 1.0041409301088031
Energy: -0.5432882055696705
Energy: 1.0041409301088031
Energy: -0.855266826159842
Energy: -0.32119035974782156
Energy: -0.7766536955800292
Energy: -0.42488919994105134
Energy: -0.12064525005813834
Energy: 1.0041389800509999
Energy: -0.4423343469495628
Energy: 1.0041389800451284
Energy: -0.6609838651878797
Energy: 0.8313787697733727
Energy: -0.48129151750482624
Energy: 0.8313787697557573
Energy: -0.3543312624940454
Energy: 0.9741821101145431
Energy: 0.7239141592120758
Energy: 0.9741821101157175
Energy: -0.4890434784294534
Energy: 1.006322841126318
Energy: -0.5350020130873884
Energy: 1.0063228411286667
Energy: -0.7614597730847429
Energy: 0.8375143169840606
Energy: -0.3198162071831183
Energy: 0.8375143169864094
Energy: -0.24235859512310928
Energy: 1.0065267879890645
Energy: -0.41873343161743765
Energy: 1.006526787986716
Energy: -1.0934369175019085
Energy: -0.6269842008405896
Energy: -0.4336956885121922
Energy: -0.3423258038182783

minimum gb energy = -1.4443768950889289 eV
minimum distance =  2.18870592168351 Angstroms
sigma value = 25


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

Energy: 0.8388370886793005
Energy: 1.0759556112605806
Energy: 0.6848039490252359
Energy: 1.0759556112605806
Energy: 0.8018145474466449
Energy: 0.9640316916059145
Energy: 0.7707258994780974
Energy: 0.9640316916059145
Energy: 0.8164638540689325
Energy: 1.154068508739818
Energy: 0.772284101016484
Energy: 1.154068508739818
Energy: 0.8359353813816832
Energy: 1.0721532855071314
Energy: 0.6693747082735115
Energy: 1.072153285505679
Energy: 0.6842335801130096
Energy: 0.804265908256568
Energy: 0.7703880506938027
Energy: 0.804265908256568
Energy: 0.7698919810862992
Energy: 1.1573310668405556
Energy: 0.7753796497804551
Energy: 1.1573310668391033
Energy: 0.7701014085574824
Energy: 0.934663036335752
Energy: 0.7735017351703962
Energy: 0.9346630363386567
Energy: 0.6502076765307602
Energy: 1.0787624933725801
Energy: 0.8398687321806514
Energy: 1.0787624933725801
Energy: 0.7721897368670108
Energy: 0.9635041148880564
Energy: 0.8026083952901952
Energy: 0.9635041148880564
Energy: 0.7499670556881569
Energy: 1.0089178597790782
Energy: 0.770998287422672
Energy: 1.0089178597776258
Energy: 0.7576934361098655
Energy: 1.076086079486017
Energy: -0.5842675271733296
Energy: 1.0760860794845648
Energy: 0.7704183114912322
Energy: 0.8962024353962842
Energy: 0.7193265008149986
Energy: 0.8962024357592027
Energy: 0.7707696085014651
Energy: 1.1383280476311923
Energy: 0.767829715808644
Energy: 1.138328047642811
Energy: 0.7653754173153713
Energy: 0.9396855747074172
Energy: 0.8387840618119388
Energy: 0.9396855747059649
Energy: 0.7649336490863092
Energy: 1.0766361416724748
Energy: 0.6565056778184591
Energy: 1.0766361416724748
Energy: 0.8049665488613199
Energy: 1.009409528875194
Energy: 0.7695653795169696
Energy: 1.0094095288766465
Energy: 0.7740999222848647
Energy: 0.8247872271264151
Energy: 0.7642620346623349
Energy: 0.8247872271264151

minimum gb energy = -0.5842675271733296 eV
minimum distance =  2.34166667713222 Angstroms
sigma value = 17


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

Energy: 0.8940936923012918
Energy: 1.0887340278781128
Energy: 0.5627092469895761
Energy: 1.0887340278764677
Energy: 0.8026614346523236
Energy: 0.7994506564202345
Energy: 0.7831938224891803
Energy: 0.7994506563528242
Energy: 0.752851711800348
Energy: 1.0842520498523336
Energy: 0.8224088365597082
Energy: 1.0842520498515111
Energy: 0.7881566947075455
Energy: 1.0704916147504706
Energy: 0.7393546461583705
Energy: 1.0704916147537606
Energy: 0.844952628701569
Energy: 0.9810104638921467
Energy: 0.8146644818564901
Energy: 0.9810104638937918
Energy: 0.8442258527084271
Energy: 1.0727584327192745
Energy: 0.6281799007563008
Energy: 1.0727584327192745
Energy: 0.7907352085792785
Energy: 0.9146917392715849
Energy: 0.7635013233869818
Energy: 0.9146917392707623
Energy: 0.7202327024180049
Energy: 1.1386604159711136
Energy: 0.8475642036039278
Energy: 1.1386604159711136
Energy: 0.8441749149728482
Energy: 1.0780130916518373
Energy: 0.7154700612688215
Energy: 1.0780130916510149
Energy: 0.7567765352765923
Energy: 0.9473167264666469
Energy: 0.7901170074837136
Energy: 0.9473167257891792
Energy: 0.8177471529441422
Energy: 1.0685831883009627
Energy: 0.7148061606670166
Energy: 1.0685831883026076
Energy: 0.8685102500387822
Energy: 0.9424802990345975
Energy: 0.8663129030951312
Energy: 0.9424802990387101
Energy: 0.7753507292825573
Energy: 1.0684341889621423
Energy: 0.892704741611716
Energy: 1.0684341889629647
Energy: 0.8202538517490746
Energy: 1.0922717889388471
Energy: 0.8042676432113863
Energy: 1.0922717889380247
Energy: 0.7852502616203733
Energy: 0.9032475902695086
Energy: 0.8212756531257056
Energy: 0.9032475902678635
Energy: 0.7478625076190794
Energy: 1.1166377172017283
Energy: 0.754356672735161
Energy: 1.1166377172017283
Energy: 0.7830815264459012
Energy: 0.9474258943996143
Energy: 0.7862877385758835
Energy: 0.9474258952250629
Energy: 0.6720274696782583
Energy: 1.0603392935430451
Energy: 0.8437525915378274
Energy: 1.0603392935438678
Energy: 0.8634073672532749
Energy: 1.0203296520509382
Energy: 0.8826067928979432
Energy: 1.0203296520525833
Energy: 0.7968235033133039
Energy: 1.0768213409766332
Energy: 0.791206453361639
Energy: 1.0768213409527798
Energy: 0.7471329362218886
Energy: 1.0432493478487193
Energy: 0.7887364878950212
Energy: 1.0432493478429616
Energy: 0.8206942738177249
Energy: 0.731201712896071
Energy: 0.7554384095418062
Energy: 0.7312017128968934
Energy: 0.6877519376411494
Energy: 1.0751522300459728
Energy: 0.8156299420692532
Energy: 1.0751522300394298
Energy: 0.8905722234367575
Energy: 0.9340984028698851
Energy: 0.772092259922703
Energy: 0.9340984028715302
Energy: 0.8871744822840683
Energy: 1.0884366402044205
Energy: 0.7696383383703794
Energy: 1.0884366401460581
Energy: 0.5944193372105979
Energy: 1.0768680292568331
Energy: 0.8164207792847072
Energy: 1.07686802924285
Energy: 0.8079313666096175
Energy: 0.8994503198192373
Energy: 0.7963059556505662
Energy: 0.8994503198480259
Energy: 0.6873816783369366
Energy: 1.0434468153319494
Energy: 0.7870619169696552
Energy: 1.0434468153335945
Energy: 0.7774669901237551
Energy: 0.9317685209182701
Energy: 0.7919061768068281
Energy: 0.9317685212315429
Energy: 0.8473167759941357
Energy: 1.0601576311238836
Energy: 0.7291014513018791
Energy: 1.0601576311222385

minimum gb energy = 0.5627092469895761 eV
minimum distance =  2.25398468378456 Angstroms
sigma value = 53


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

Energy: 0.8965127473065477
Energy: 0.8968796654155159
Energy: 0.911855994185324
Energy: 0.8968796654155159
Energy: 0.8803975988038267
Energy: 0.8572633640540774
Energy: 0.7877798863537977
Energy: 0.857263364055971
Energy: 0.8637725194237622
Energy: 1.06628749161199
Energy: 0.75890024834537
Energy: 1.06628749161199
Energy: 0.865312396126981
Energy: 1.0662908540726985
Energy: 0.7888860411107539
Energy: 1.066290854070805
Energy: 0.8804644680061077
Energy: 0.8572733912650061
Energy: 0.7877809995739364
Energy: 0.8572733912612188
Energy: 0.8965127473065477
Energy: 0.8968796654155159
Energy: 0.1999907323792625
Energy: 0.8968796654155159
Energy: 0.8803975988038267
Energy: 0.8572633640578647
Energy: 0.7877798863537977
Energy: 0.8572633640578647
Energy: 0.8637725194237622
Energy: 1.06628749161199
Energy: 0.8993072422332719
Energy: 1.06628749161199
Energy: 0.865312396126981
Energy: 1.0662908540726985
Energy: 0.7888860411107539
Energy: 1.066290854070805
Energy: 0.8804644680307248
Energy: 0.8572733912914735
Energy: 0.78778099957583
Energy: 0.8572733912801119
Energy: 0.8965127473065477
Energy: 0.8968796654155159
Energy: 0.617818278791264
Energy: 0.8968796654155159
Energy: 0.8803975988038267
Energy: 0.857263364055971
Energy: 0.7877798863537977
Energy: 0.8572633640578647
Energy: 0.8637725194237622
Energy: 1.06628749161199
Energy: 0.8993072422332719
Energy: 1.06628749161199

minimum gb energy = 0.1999907323792625 eV
minimum distance =  2.28696439064076 Angstroms
sigma value = 9


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

Energy: 0.9660863010103695
Energy: 1.100745318772472
Energy: 0.8250558813501853
Energy: 1.1007453187598564
Energy: 0.7930992256199347
Energy: 0.8111440935834333
Energy: 0.8327801364234426
Energy: 0.8111440935820315
Energy: 0.7322443055646455
Energy: 1.0877642303842014
Energy: 0.7670700897201618
Energy: 1.0877642303891073
Energy: 0.7070560723240098
Energy: 0.9409539006350983
Energy: 0.824564130655139
Energy: 0.940953900646312
Energy: 0.7426362117266337
Energy: 0.8664808711362739
Energy: 0.7732991440104161
Energy: 0.8664808711334706
Energy: 0.9468328251638933
Energy: 0.8356170733588213
Energy: 0.6819994809241495
Energy: 0.8356170733574195
Energy: 0.7851461343836615
Energy: 0.782571544484252
Energy: 0.8022391735018851
Energy: 0.7825715444870555
Energy: 0.8566374508148911
Energy: 0.929179035590833
Energy: 0.719966771130152
Energy: 0.929179035512337
Energy: 0.7601622032499474
Energy: 0.9519543372894846
Energy: 0.9271053123086392
Energy: 0.951951047727736
Energy: 0.7622443653805631
Energy: 0.8753536430569665
Energy: 0.7996413301335602
Energy: 0.8753536430576675
Energy: 0.8229482537113093
Energy: 1.0755621738366687
Energy: 0.6738006642111174
Energy: 1.075562173810737
Energy: 0.7493471007077399
Energy: 1.1178022378535881
Energy: 0.7722325695753847
Energy: 1.1178022378549899
Energy: 0.7921678083941268
Energy: 1.0942811717066177
Energy: 0.7516724836340526
Energy: 1.094281171699609
Energy: 0.7085586896318434
Energy: 0.9327364981195418
Energy: 0.9678734697381562
Energy: 0.9327364981545211
Energy: 0.7952650233763751
Energy: 0.9871410981994261
Energy: 0.7376280435659619
Energy: 0.9871410981952209
Energy: 0.7952694032908659
Energy: 1.1031696943244163
Energy: 0.6877700722521821
Energy: 1.1031696943244163
Energy: 0.7631184941813843
Energy: 0.9979236735215828
Energy: 0.7962250717704491
Energy: 0.9979236735215828
Energy: 0.8228349583292383
Energy: 0.7957267980743208
Energy: 0.718731236300693
Energy: 0.795726798078526
Energy: 0.7582562731003633
Energy: 1.0304815976820219
Energy: 0.9473820749519825
Energy: 1.0304815976834236
Energy: 0.7733675731721518
Energy: 0.8678176068537264
Energy: 0.8015457226544173
Energy: 0.8678176068537264
Energy: 0.7103229086098625
Energy: 1.0872312548972047
Energy: 0.7105728271783845
Energy: 1.0872312548993073
Energy: 0.8200586183027836
Energy: 0.8661617928308045
Energy: 0.7638764819996348
Energy: 0.8661617928308045
Energy: 0.8942487284236849
Energy: 0.963686468849364
Energy: 0.7595713616128924
Energy: 0.9636864688451591
Energy: 0.3844350252862128
Energy: 1.0701378444806326
Energy: 0.8241234753693617
Energy: 1.0701378444498586
Energy: 0.8025044331104215
Energy: 0.8719332270763623
Energy: 0.76985438465957
Energy: 0.8719332271470852
Energy: 0.7407425338907272
Energy: 1.0059313847823008
Energy: 0.7875522212455037
Energy: 1.0059313847900102
Energy: 0.7420438139447139
Energy: 0.9756940745875915
Energy: 0.7050486226278759
Energy: 0.975694074371154
Energy: 0.96081885362158
Energy: 0.9252769287770093
Energy: 0.7060907815057108
Energy: 0.9252769288190607
Energy: 0.7339987680855556
Energy: 1.0198544311637407
Energy: 0.7895623044469445
Energy: 1.0198544310915523
Energy: 0.8054088536457767
Energy: 0.8607663226235384
Energy: 0.7664218247027126
Energy: 0.8607663230256393
Energy: 0.7969746010022272
Energy: 1.0821762782576911
Energy: 0.872027406973707
Energy: 1.08217627825699
Energy: 0.7843551749718801
Energy: 0.7959490928175997
Energy: 0.7569437288837031
Energy: 0.7959490928190014
Energy: 0.8089088044971693
Energy: 0.8679805351129345
Energy: 0.7556214610034254
Energy: 0.8679805351136355
Energy: 0.714605441185365
Energy: 1.086905612301562
Energy: 0.7059383569161539
Energy: 1.0869056123008611
Energy: 0.7459476008705798
Energy: 0.8316419283539616
Energy: 0.7785061078057669
Energy: 0.8316419283484185

minimum gb energy = 0.3844350252862128 eV
minimum distance =  2.29249518575472 Angstroms
sigma value = 73


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

Energy: 1.0000856750101337
Energy: 0.8262963458162716
Energy: 0.792951234588923
Energy: 0.826296345835175
Energy: 0.8994280742087686
Energy: 1.0013563421740408
Energy: 0.901614664611041
Energy: 1.0013563421995908
Energy: 0.819854706544279
Energy: 0.9987530669467337
Energy: 0.8638909382873353
Energy: 0.9987530669378379
Energy: 0.7548479204190158
Energy: 0.9588713001351618
Energy: 0.8778160718616276
Energy: 0.9588713001485053
Energy: 0.7179617745393301
Energy: 0.9035456012705065
Energy: 0.7431694316600445
Energy: 0.9035456012682826
Energy: 0.904244897736604
Energy: 0.9947048146986914
Energy: 0.6174925814240115
Energy: 0.9947055082748374
Energy: 0.8305134199511348
Energy: 0.7603432419408359
Energy: 0.8432146004305974
Energy: 0.7603432419408359
Energy: 0.8540330913807361
Energy: 1.0202167352150158
Energy: 0.6886374090375215
Energy: 1.0202167352016973
Energy: 0.7817270748716452
Energy: 0.7893678574698331
Energy: 0.9726743514971564
Energy: 0.7893678574698331
Energy: 0.7999017165453285
Energy: 0.8672774099560031
Energy: 0.8183680129697329
Energy: 0.8672774099560031
Energy: 0.8073641209718248
Energy: 0.936198763279433
Energy: 0.7177285146380998
Energy: 0.9361987635539625
Energy: 0.8061928391512766
Energy: 0.960384485846502
Energy: 0.7536499512401885
Energy: 0.9603844860009898
Energy: 0.9037144390120843
Energy: 0.7868715534532552
Energy: 0.7409151811945978
Energy: 0.7868715534532552
Energy: 0.2391430619852314
Energy: 0.9743448953566985
Energy: 0.904310355861811
Energy: 0.974344895316693
Energy: 0.7318610622719265
Energy: 0.8993411993553363
Energy: 0.8114933959589528
Energy: 0.8993411993542243
Energy: 0.714029857322955
Energy: 1.009275442985925
Energy: 0.8539906988217314
Energy: 1.0092754353523206
Energy: 0.8867824915294044
Energy: 1.0080771746154664
Energy: 0.8203045724232827
Energy: 1.0080771746165784
Energy: 0.8900876558762791
Energy: 0.9580023847861225
Energy: 0.8071630183990637
Energy: 0.9580023835357154
Energy: 0.6930394109215763
Energy: 1.0203798716921215
Energy: 0.8537800521070087
Energy: 1.0203798718744084
Energy: 0.8988475248455995
Energy: 1.006234275253321
Energy: 0.8406263277657923
Energy: 1.0062584749593224
Energy: 0.7179722180881762
Energy: 1.0151095999624054
Energy: 0.9032669896621168
Energy: 1.0151095999624054
Energy: 0.8536627704493255
Energy: 0.842392002433972
Energy: 0.7527379192623957
Energy: 0.842392002435084

minimum gb energy = 0.2391430619852314 eV
minimum distance =  2.26713984500685 Angstroms
sigma value = 7


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

Energy: 0.9906948793254109
Energy: 0.7278643148397625
Energy: -0.17066188106415084
Energy: 0.7278643148421214
Energy: 0.7622918288104408
Energy: 0.8044080257230136
Energy: 0.8257100095297404
Energy: 0.8044080297910097
Energy: 0.7914745737532614
Energy: 1.061856643068118
Energy: 0.7007313976668456
Energy: 1.061856643068118
Energy: 0.4011701701615261
Energy: 0.7646530848608117
Energy: 0.9187966670671965
Energy: 0.7646530848623844
Energy: 0.7926836995239934
Energy: 0.7561625389490199
Energy: 0.7071714656180581
Energy: 0.756162538946661
Energy: 0.8767077661607328
Energy: 0.9402285879680368
Energy: 0.6700098374031247
Energy: 0.9402285879672504
Energy: 0.8074556473283635
Energy: 1.0730315666425074
Energy: 0.7135622358355318
Energy: 1.07303156663779
Energy: 0.8767674949838332
Energy: 0.7145186390092845
Energy: 0.6788166788697093
Energy: 0.7145186390108571
Energy: 0.7881538610785305
Energy: 0.9208954042775145
Energy: 0.8995407736481558
Energy: 0.9208954042877361
Energy: 0.7923664541950814
Energy: 0.785350956584221
Energy: 0.7571848893987109
Energy: 0.785350956584221
Energy: 0.6692415181398437
Energy: 0.7548056987063463
Energy: 0.7235426569088687
Energy: 0.7548054793295994
Energy: 0.7480840785229751
Energy: 0.8845779573050718
Energy: 0.7122570561631107
Energy: 0.8845779573066445
Energy: 0.8642470797003303
Energy: 0.9405449490041543
Energy: 0.716192279728992
Energy: 0.9405449487212365
Energy: 0.7063906957882807
Energy: 1.0503008910417668
Energy: 0.7227905783294637
Energy: 1.0503008910433391
Energy: 0.7089313137241683
Energy: 0.7799012182989568
Energy: 0.8254435528140118
Energy: 0.779901218302102
Energy: 0.25891237881390466
Energy: 0.9704482257346786
Energy: 0.8972839861011709
Energy: 0.9704482257338923
Energy: 0.7087645578233795
Energy: 0.7611037713145598
Energy: 0.7494915837061016
Energy: 0.7611037713129871
Energy: 0.737404371802297
Energy: 0.8752124745118877
Energy: 0.7117467626366946
Energy: 0.8752124745260408
Energy: 0.7921871080821185
Energy: 0.9370659985132618
Energy: 0.7107168365341814
Energy: 0.9370659972565369
Energy: 0.7917596155620247
Energy: 0.7555907422373328
Energy: 0.7101429541870479
Energy: 0.7555907422389053
Energy: 0.31588670611313274
Energy: 0.9277661706220052
Energy: 0.8993130699886097
Energy: 0.9277661706157149
Energy: 0.793177151737202
Energy: 0.9194463056983764
Energy: 0.7433497217225117
Energy: 0.919446361985127
Energy: 0.755333283888009
Energy: 1.0222919117171732
Energy: 0.7706986115169299
Energy: 1.0222919117879024
Energy: 0.9916348615508018
Energy: 0.7147785097187248
Energy: 0.4825338016349579
Energy: 0.7147785097187248
Energy: 0.8545006765946453
Energy: 0.8254971573260964
Energy: 0.8036295086627648
Energy: 0.8254971573253101
Energy: 0.694184501593082
Energy: 0.7558729509373228
Energy: 0.7276011911866558
Energy: 0.7558729511550507
Energy: 0.7910683033526185
Energy: 0.7618185669380027
Energy: 0.803828736324149
Energy: 0.7618185669348575
Energy: 0.4015427673685711
Energy: 0.7571900450239045
Energy: 0.9189471210742126
Energy: 0.7571900450239045
Energy: 0.8757606586701632
Energy: 1.0734959660073533
Energy: 0.7291169028180767
Energy: 1.073495966005781
Energy: 0.8705656761145801
Energy: 1.237834636667946
Energy: 0.9034529089098329
Energy: 1.2378346366663733
Energy: 0.8756101789372599
Energy: 1.0740636704522297
Energy: 0.8775104979154184
Energy: 1.074063670456161

minimum gb energy = -0.17066188106415084 eV
minimum distance =  2.23790761513982 Angstroms
sigma value = 29


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

Energy: 0.7717121062275079
Energy: 0.5446537193637908
Energy: 0.9187587690025638
Energy: 0.5446537193552395
Energy: 0.6973227414378521
Energy: 0.7993801493751473
Energy: 0.8987768775199104
Energy: 0.7993860788342286
Energy: 0.6418126566187975
Energy: 0.916806689351092
Energy: 0.6987703591633525
Energy: 0.9168066893508182
Energy: 0.8996193861001078
Energy: 1.142980639114227
Energy: 0.8991103174501203
Energy: 1.1429806391134356
Energy: 0.9002653951413693
Energy: 0.8596516368960577
Energy: 0.6416898806265328
Energy: 0.8596516368963316
Energy: 0.6411135397687207
Energy: 1.0483322195988716
Energy: 0.6413104254498951
Energy: 1.0483322195991458
Energy: 0.641738851860415
Energy: 0.8599301349132952
Energy: 0.9004216223830678
Energy: 0.8599301349140862
Energy: 0.8988073181463688
Energy: 1.1429641287186083
Energy: 0.8996579235894548
Energy: 1.1429641287188819
Energy: 0.6987817409774357
Energy: 0.9168032734910578
Energy: 0.641992178630375
Energy: 0.916803273490784

minimum gb energy = 0.5446537193552395 eV
minimum distance =  2.33118796016426 Angstroms
sigma value = 5


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

Energy: 0.7747228396512833
Energy: 0.6239316365282297
Energy: -0.8633629947862695
Energy: 0.623931636530458
Energy: 0.7000776412785641
Energy: 1.0645049041177599
Energy: 0.6015252206984356
Energy: 1.0645049041192454
Energy: 0.6264838122681703
Energy: 0.5645380064019087
Energy: 0.7263500136807495
Energy: 0.5645380063989378
Energy: 0.5761022388677595
Energy: 0.8481106862226573
Energy: 0.6400593336504896
Energy: 0.8481106864194146
Energy: 0.653096120962616
Energy: 0.6716259175991683
Energy: 0.8116051540287377
Energy: 0.6716259208664963
Energy: 0.5192625416781363
Energy: 0.627281250449573
Energy: 0.5987126073187127
Energy: 0.6272812504562576
Energy: 0.6208475170045236
Energy: 0.7198766873983696
Energy: 0.6121296755308648
Energy: 0.7198766874013407
Energy: 0.6171473059594889
Energy: 0.8677906579162644
Energy: 0.6101247258775426
Energy: 0.8677906584708179
Energy: 0.6820546964040771
Energy: 0.8501202706195135
Energy: 0.4095225560942217
Energy: 0.8501202706217417
Energy: 0.6392641209989856
Energy: 0.7068253516276968
Energy: 0.37344834772104013
Energy: 0.7068253516269541
Energy: 0.5202195200401094
Energy: 0.8304091008310338
Energy: 0.6261583102388766
Energy: 0.830298739373483
Energy: 0.6222031338456284
Energy: 0.8591190164897454
Energy: 0.636162987948698
Energy: 0.8591190201356999
Energy: 0.5608056877777186
Energy: 0.6249936526323917
Energy: 0.801435395840512
Energy: 0.6249936526309062
Energy: 0.6459176775249145
Energy: 0.782569361447523
Energy: 0.7572038468645367
Energy: 0.7825693614512366
Energy: 0.7213650298699236
Energy: 0.8446039871962828
Energy: 0.6235270661627069
Energy: 0.8446039010259779
Energy: 0.6387813973324867
Energy: 0.6021533567854214
Energy: 0.26766148040810456
Energy: 0.6021533566235726
Energy: 0.7078524159887564
Energy: 0.8352575878644292
Energy: 0.6012610086530535
Energy: 0.8352397726311989
Energy: 0.652649487001562
Energy: 0.6268978798839375
Energy: 0.44465310663817825
Energy: 0.6268978798831948
Energy: 0.6094123692833967
Energy: 0.6771538000070361
Energy: 0.602207768646307
Energy: 0.6771538000070361
Energy: 0.620711693389285
Energy: 0.8442487448680636
Energy: 0.6218268638595171
Energy: 0.8442487760164404
Energy: 0.5804989563767059
Energy: 0.8709370161641435
Energy: 0.6388266856940099
Energy: 0.870937018458184
Energy: 0.676559631906043
Energy: 0.6996936061910822
Energy: 0.6476536560331166
Energy: 0.6996936062526956
Energy: 0.6092946842728794
Energy: 0.8805333513379705
Energy: 0.5805132267433264
Energy: 0.8805333513461069
Energy: 0.6299134769834365
Energy: 0.9577261568659069
Energy: 0.6208555450972945
Energy: 0.9577261280531298
Energy: 0.7095113784241979
Energy: 0.6608655835219764
Energy: 0.6364823875055685
Energy: 0.6608655835234618
Energy: 0.6926646564512869
Energy: 0.8062151540030048
Energy: 0.6528452435175649
Energy: 0.8062151539940919
Energy: 0.5999206896862552
Energy: 0.8347865448390648
Energy: 0.6190288916700062
Energy: 0.8347865448115835
Energy: 0.19808960017227029
Energy: 1.0438258992250211
Energy: 0.7102024412485151
Energy: 1.0438258996058758
Energy: 0.6205607599192977
Energy: 1.016053601872494
Energy: 0.824782124365286
Energy: 1.0160536018568964
Energy: 0.5118559975502974
Energy: 0.8466150030381401
Energy: 0.6461283630196052
Energy: 0.8466205464251804
Energy: 0.5774777572589823
Energy: 0.6032240603804047
Energy: 0.5071007325280739
Energy: 0.6032240603766911
Energy: 0.7689643821646529
Energy: 0.7796570943254195
Energy: 0.6215077186716619
Energy: 0.7796570949958062
Energy: 0.7060577449270664
Energy: 1.0405071133153987
Energy: 0.5201783533409089
Energy: 1.040507113308714

minimum gb energy = -0.8633629947862695 eV
minimum distance =  2.18924684022899 Angstroms
sigma value = 1


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

Energy: 0.8183152229356913
Energy: 0.7861525625012253
Energy: 0.1879352966407849
Energy: 0.7861528359164824
Energy: 0.7870023590444649
Energy: 1.0437646163539427
Energy: 0.6266680395885524
Energy: 1.0437646163518886
Energy: 0.5784658335486638
Energy: 0.632730480604431
Energy: 0.6196292801333129
Energy: 0.6327304797842674
Energy: 0.5797921181713543
Energy: 1.0150692961986285
Energy: 0.6835624950462805
Energy: 1.0150692961986285
Energy: 0.5526249362985788
Energy: 0.9777797757519907
Energy: 0.9562195079490803
Energy: 0.9777797757468558
Energy: 0.5169171049174562
Energy: 1.12876247804163
Energy: 0.6816462648277809
Energy: 1.128762478042657
Energy: 0.5548925773243708
Energy: 0.7739689673945009
Energy: 0.6695420297441274
Energy: 0.7739689673955279
Energy: 0.6144986851161485
Energy: 0.8945349476445541
Energy: 0.5581622768055993
Energy: 0.8945349476394193
Energy: 0.7156576129605698
Energy: 0.9002796690687891
Energy: 0.533511287819635
Energy: 0.9002796690687891
Energy: 0.7285013383705612
Energy: 0.834314466410595
Energy: 0.5362832889379899
Energy: 0.834314466480428
Energy: 0.5518583587794724
Energy: 0.9067524194503087
Energy: 0.5705575099918382
Energy: 0.9067520648974651
Energy: 0.5428913651117809
Energy: 0.814221238076531
Energy: 0.6868854255073337
Energy: 0.8142212380313917
Energy: 0.5269128270119657
Energy: 1.035762816513622
Energy: 0.7063090896264115
Energy: 1.0357628164787518
Energy: 0.518919663139
Energy: 0.877330731984157
Energy: 0.8246469382928308
Energy: 0.8773307319831299
Energy: 0.5913359280706612
Energy: 0.8639113961779368
Energy: 0.7156051899074881
Energy: 0.8639113961789636
Energy: 0.6386727787664753
Energy: 0.6182347065914858
Energy: 0.5084799854050027
Energy: 0.6182347065966207
Energy: 0.8520267665172476
Energy: 1.1784520023409892
Energy: 0.6262472527103111
Energy: 1.1784520023409892
Energy: 0.8183152229397523
Energy: 0.7861521696619965
Energy: 0.2250006409096115
Energy: 0.7861524717679091
Energy: 0.7870023590444649
Energy: 1.0437646163518886
Energy: 0.6266680395864986
Energy: 1.0437646163508618
Energy: 0.5784658335486638
Energy: 0.6327304809770293
Energy: 0.619629580494195
Energy: 0.6327304814830848
Energy: 0.5797921181703273
Energy: 1.0150692961996552
Energy: 0.6835624950452536
Energy: 1.0150692961965746
Energy: 0.5526249362985788
Energy: 0.9777797757499367
Energy: 0.9562195079490803
Energy: 0.9777797757530177
Energy: 0.5169171049256719
Energy: 1.1287624780375223
Energy: 0.6816462648288079
Energy: 1.1287624780323873
Energy: 0.5548925773253979
Energy: 0.7739689673955279
Energy: 0.6695420297451543
Energy: 0.7739689673955279

minimum gb energy = 0.1879352966407849 eV
minimum distance =  2.27238324953691 Angstroms
sigma value = 17


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

Energy: 0.6411123667980408
Energy: 0.41274389523667715
Energy: -0.3584133954375525
Energy: 0.41274389477291296
Energy: 0.6057862023649233
Energy: 0.8679577317277144
Energy: 0.3435583640386154
Energy: 0.8679577317308881
Energy: 0.5468647828525441
Energy: 0.2978529426175635
Energy: 0.42187799552756744
Energy: 0.2978527135603272
Energy: 0.07995438082511551
Energy: 0.8123823627785292
Energy: 0.24055839373595433
Energy: 0.812382362734732
Energy: 0.2124969889241854
Energy: 0.7777162678788698
Energy: 0.4570638676687675
Energy: 0.7768254709085807
Energy: 0.04254230672549434
Energy: 0.9479634158797379
Energy: 0.5137586848136918
Energy: 0.9479634107450363
Energy: 0.48061973773413885
Energy: 0.72197670678613
Energy: 0.5022899286057433
Energy: 0.7219767063248468
Energy: 0.19796100437063074
Energy: 0.6570974602591529
Energy: 0.17893277119159892
Energy: 0.6570974675591841
Energy: 0.24769110280971673
Energy: 0.7292658944793685
Energy: 0.2191675836666017
Energy: 0.7292658751360087
Energy: 0.2942528697773645
Energy: 0.8391648251424477
Energy: 0.33133742413602774
Energy: 0.8391648265604572
Energy: 0.6113831632247114
Energy: 0.9016658109404709
Energy: 0.3074007853079492
Energy: 0.9016658109455489
Energy: 0.40254325909154026
Energy: 0.5478573712951629
Energy: 0.2916156675097176
Energy: 0.5478583561293051
Energy: 0.03646638257893621
Energy: 0.9525304326865242
Energy: 0.3723421902146404
Energy: 0.952530431323737
Energy: 0.16720502657799471
Energy: 0.7620162257363107
Energy: 0.579165151063587
Energy: 0.7620162255079196
Energy: 0.1556944708645117
Energy: 0.9151354459325515
Energy: 0.6329559621674195
Energy: 0.9151354459236651
Energy: 0.3523835287765201
Energy: 0.6893587934692793
Energy: 0.5440205230613901
Energy: 0.6893587992130429
Energy: 0.35451232665873406
Energy: 0.6784916912013544
Energy: 0.40625565121918605
Energy: 0.6784916914348811
Energy: 0.3825287457175853
Energy: 0.44786509647944217
Energy: 0.18128778860396774
Energy: 0.4478650964249122
Energy: 0.7935757474112669
Energy: 1.1048891435281458
Energy: 0.3506745386052059
Energy: 1.1048891435300503
Energy: 0.5785212750045153
Energy: 0.30097029232116634
Energy: -0.011189539693240127
Energy: 0.3009702923179927
Energy: 0.3365615566355912
Energy: 0.8616175482420321
Energy: 0.457268809786151
Energy: 0.8616175482407626
Energy: 0.3353259524239482
Energy: 0.8946864123748279
Energy: 0.869885279382647
Energy: 0.8946864347458409
Energy: 0.16650005998057113
Energy: 0.8248640724814909
Energy: 0.41898013791750655
Energy: 0.8248639609919219
Energy: 0.3258299533250911
Energy: 0.7585005615734098
Energy: 0.6823045635844359
Energy: 0.7585006866124305
Energy: 0.03910938336291
Energy: 0.4775492707914747
Energy: 0.2955753452462102
Energy: 0.4775492722513194
Energy: 0.5729083261743895
Energy: 0.5767038380223151
Energy: 0.24896591275958738
Energy: 0.576703827275241
Energy: 0.6391786042227
Energy: 0.9807336489827162
Energy: 0.4303063927765823
Energy: 0.9807336488875629
Energy: 0.6357127172884598
Energy: 0.6838518981690451
Energy: 0.18552323840501245
Energy: 0.6838518904736863
Energy: 0.5811215552782246
Energy: 0.8470350859751379
Energy: 0.1862189160249086
Energy: 0.847035085984659
Energy: 0.5701141932444295
Energy: 0.9434296214315147
Energy: 0.15748227534077108
Energy: 0.9434296215140309
Energy: 0.1920544445742472
Energy: 0.6000242350664219
Energy: 0.37559049054383437
Energy: 0.6000242351660762
Energy: 0.2536170360909135
Energy: 0.9206020275764527
Energy: 0.2691195745913331
Energy: 0.9206020275751832
Energy: 0.34442341870608584
Energy: 0.8427342739783691
Energy: 0.4240969314927256
Energy: 0.8427342215410426
Energy: 0.15456268659292519
Energy: 0.8065111002575657
Energy: 0.3497414577483813
Energy: 0.806511100256931
Energy: 0.24205903459903344
Energy: 0.5440767309453651
Energy: 0.4778268009519156
Energy: 0.5440767309517126
Energy: 0.503419835781569
Energy: 0.5838237652637445
Energy: 0.48280297775628184
Energy: 0.5863237577887812
Energy: 0.4258180260923917
Energy: 0.9523565834575847
Energy: 0.03381195241108949
Energy: 0.9523565834226738
Energy: 0.5887789145403619
Energy: 0.906388736938919
Energy: 0.3591995192085254
Energy: 0.9064425687695553

minimum gb energy = -0.3584133954375525 eV
minimum distance =  2.19652467102939 Angstroms
sigma value = 89


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

Energy: 0.5991568093935673
Energy: 0.5973986254670556
Energy: -0.22186773762616907
Energy: 0.5973986254670556
Energy: 0.4868817873739049
Energy: 0.6075826666958037
Energy: 0.47787089659370546
Energy: 0.6075826666941431
Energy: 0.4764475729887605
Energy: 1.0091121955028368
Energy: 0.6174879264706992
Energy: 1.009112195512764
Energy: 0.34225950828439156
Energy: 0.5774574459474294
Energy: 0.4780430478221671
Energy: 0.5774574459457686
Energy: 0.5406254104219947
Energy: 0.9536130065843481
Energy: 0.4097245128915837
Energy: 0.9536130065860089
Energy: 0.4832102844066023
Energy: 0.506513796341373
Energy: 0.4739785117375595
Energy: 0.5065137963430337
Energy: 0.476516115855926
Energy: 0.7010516016749821
Energy: 0.4864714622405064
Energy: 0.7010516016749821
Energy: 0.10599134449301047
Energy: 0.662886068971518
Energy: 0.4880954533771279
Energy: 0.6628860990420232
Energy: 0.5417004371872474
Energy: 0.5977279167114422
Energy: 0.21872324403601812
Energy: 0.5977279167097814
Energy: 0.5839671782757626
Energy: 0.4935990268507676
Energy: 0.47999763828200454
Energy: 0.4935990257767158
Energy: 0.4740829319378762
Energy: 0.6121444089633838
Energy: 0.4876975501950451
Energy: 0.6121444089633838
Energy: 0.4774802505277775
Energy: 0.6970489064157152
Energy: 0.46699202165661147
Energy: 0.6970489064157152
Energy: 0.5410802920855834
Energy: 0.9355129863111881
Energy: 0.38801858569894887
Energy: 0.9355129862895976
Energy: 0.4783181874835902
Energy: 0.5659074545690873
Energy: 0.47875713126025676
Energy: 0.5659074545690873
Energy: 0.07631607045792463
Energy: 0.9307028675799126
Energy: 0.5318657240133889
Energy: 0.9307028675815734

minimum gb energy = -0.22186773762616907 eV
minimum distance =  2.20194718860222 Angstroms
sigma value = 13


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

Energy: 0.5481388366505476
Energy: 0.9010946800693522
Energy: -0.6483897005900707
Energy: 0.9010946800693522
Energy: 0.4502336901043925
Energy: 0.9276089637206918
Energy: 0.002573392056558559
Energy: 0.927608963714427
Energy: 0.49024254895325053
Energy: 0.6309358603213672
Energy: -0.24259781360690372
Energy: 0.6310027297860628
Energy: -0.15258258977315725
Energy: 0.928203273885947
Energy: -0.2746805704889172
Energy: 0.9282032738852509
Energy: 0.21328953237947765
Energy: 0.5841608552817636
Energy: 0.15699760241310562
Energy: 0.5842631587788011
Energy: -0.13862038435900104
Energy: 0.7701156224481623
Energy: 0.4981048148795603
Energy: 0.7701156224474661
Energy: 0.12432570110187792
Energy: 1.0325842939644767
Energy: 0.7155641199425444
Energy: 1.0325842939623884
Energy: -0.36316141209776
Energy: 0.9104141067146277
Energy: -0.0881185761227579
Energy: 0.9104141067020979
Energy: 0.07032530758038456
Energy: 0.8702464038973496
Energy: 0.1351158466250653
Energy: 0.8702464038855159
Energy: -0.05169971403255715
Energy: 0.7588116965478034
Energy: 0.12538743124874796
Energy: 0.7588116965199593
Energy: 0.15352002034095666
Energy: 0.7328302362903787
Energy: -0.2672846761482772
Energy: 0.7328302362987319
Energy: 0.22858637042104293
Energy: 0.7592840084906783
Energy: 0.020259653226653795
Energy: 0.7592840083112096
Energy: 0.4134797269152536
Energy: 0.9077140143068506
Energy: -0.30118158222017866
Energy: 0.9077140143061544
Energy: 0.6251404516084765
Energy: 0.7392413619637705
Energy: -0.25360859581293677
Energy: 0.7392413618635313
Energy: 0.042173168038624906
Energy: 0.862809186895528
Energy: -0.32880836455037515
Energy: 0.8628091868753409
Energy: -0.14095796609737324
Energy: 0.7658063851494269
Energy: -0.06287527662951009
Energy: 0.765806389670063
Energy: 0.05681075606699559
Energy: 0.9951245976520322
Energy: 0.013253303315948468
Energy: 0.9951245976520322
Energy: -0.215051479748458
Energy: 0.9050991933413765
Energy: -0.05193374780228883
Energy: 0.9050991933406803
Energy: 0.08975695181236432
Energy: 0.8836701184223827
Energy: 0.0020899518510570955
Energy: 0.8836701183904252
Energy: 0.062002336268413887
Energy: 0.8876542123362543
Energy: 0.3211868458370636
Energy: 0.8876542123397348
Energy: -0.1193627309272366
Energy: 0.905704344520974
Energy: 0.31600560851044274
Energy: 0.9057043445230623
Energy: 0.08680458763592878
Energy: 1.0065352835941799
Energy: -0.17036778292188842
Energy: 1.0065352835941799
Energy: -0.1342948534005381
Energy: 0.7430455557149556
Energy: -0.19242416240883162
Energy: 0.743045556037822
Energy: 0.15490209408207462
Energy: 0.8776843994137807
Energy: -0.3284616716665326
Energy: 0.8776843994109962
Energy: 0.5721750645577309
Energy: 0.7494556659484451
Energy: -0.18600133185704618
Energy: 0.749455679681406
Energy: 0.41338186952878775
Energy: 0.900714639592133
Energy: -0.390781495998928
Energy: 0.9007146395914369
Energy: 0.23179356947858598
Energy: 0.7269069746928662
Energy: -0.1062291901188483
Energy: 0.7269069773041482
Energy: 0.04449043519007502
Energy: 0.734899321393442
Energy: -0.2924497766318569
Energy: 0.7348993213920498
Energy: -0.05183504117878524
Energy: 0.7506021423571559
Energy: -0.21582645641200893
Energy: 0.7506021431190117
Energy: 0.23454029222084258
Energy: 0.8717906185820005
Energy: 0.23722805328298463
Energy: 0.8717906167583305
Energy: -0.24704313417067175
Energy: 0.7150668941464182
Energy: -0.07786480937906344
Energy: 0.7150668977228188
Energy: 0.12694606773611017
Energy: 1.0314311334727142
Energy: 0.4139363798081161
Energy: 1.0314311334720179
Energy: -0.10405286969810235
Energy: 0.7459773757029662
Energy: 0.49783966922772827
Energy: 0.7459773760494368
Energy: 0.004709766611582757
Energy: 0.6121621314842858
Energy: 0.07035273744410091
Energy: 0.6121625931529607
Energy: -0.1495474541810973
Energy: 0.9196618177882574
Energy: -0.23363126325857064
Energy: 0.9196618177931302

minimum gb energy = -0.6483897005900707 eV
minimum distance =  2.19603811574944 Angstroms
sigma value = 37


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

Energy: 0.6526347037681384
Energy: 0.6652942853340998
Energy: -0.20295747604957293
Energy: 0.6652942853352702
Energy: 0.7440430486596851
Energy: 0.761956882003165
Energy: 0.38247968134374455
Energy: 0.7619568820067579
Energy: 0.31775224478194186
Energy: 1.0350175722900192
Energy: 0.2592625024946608
Energy: 1.0350175722900192
Energy: 0.420786522098185
Energy: 0.6362361474009994
Energy: 0.2799015900699862
Energy: 0.6362361482545252
Energy: 0.2751829359911743
Energy: 0.7594475681145011
Energy: 0.3833923534458888
Energy: 0.7594475681156988
Energy: -0.0405992736215731
Energy: 0.9293338041372872
Energy: 0.38456798231131606
Energy: 0.9293338041384848
Energy: 0.2619884720594026
Energy: 1.1321325423849733
Energy: 0.768251054848512
Energy: 1.1321325423849733
Energy: 0.19361114087429884
Energy: 0.44685862883145216
Energy: 0.44533135284959513
Energy: 0.4468586288326499
Energy: 0.25527782600985915
Energy: 0.7527665161845963
Energy: 0.750429823598956
Energy: 0.7527665179443161
Energy: 0.2694446832606175
Energy: 0.7615596250787209
Energy: 0.3207338695480302
Energy: 0.7615596250787209
Energy: 0.2791331512339095
Energy: 1.03434482897347
Energy: 0.30935561395203726
Energy: 1.0343448286179386
Energy: 0.6453560774557872
Energy: 0.7603708785050092
Energy: 0.2830946075231931
Energy: 0.7603708786103458
Energy: 0.4236309625355332
Energy: 0.9162812992287241
Energy: 0.12142069949561521
Energy: 0.9162812994717332
Energy: 0.7874523810478824
Energy: 1.1289796841148063
Energy: 0.2519333291597021
Energy: 1.1289796841160038
Energy: 0.6522985048163363
Energy: 0.6697146917083066
Energy: 0.19333715753610886
Energy: 0.6697147003477307
Energy: 0.6117477276082862
Energy: 0.7247246303307001
Energy: 0.26058402770518774
Energy: 0.7247246303307001
Energy: 0.4215163084204411
Energy: 0.7529324876949424
Energy: -0.10110864311552858
Energy: 0.7529324876937449
Energy: 0.41738132632089975
Energy: 1.030968608137134
Energy: 0.296592690178607
Energy: 1.0309686081143792
Energy: 0.3078964011179404
Energy: 0.43566272953601864
Energy: 0.258189958596908
Energy: 0.43566272953601864
Energy: 0.2592684653540306
Energy: 0.9827950483055222
Energy: 0.4008340381288793
Energy: 0.9827950483067199

minimum gb energy = -0.20295747604957293 eV
minimum distance =  2.19566268359431 Angstroms
sigma value = 25


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

Energy: 0.5333180838825824
Energy: 0.8014892842501493
Energy: -0.6653641991143622
Energy: 0.8014892842501493
Energy: 0.4041698074717707
Energy: 0.8441306804030466
Energy: 0.3000520794783674
Energy: 0.8441306804039818
Energy: 0.475798770062113
Energy: 0.49217887745923683
Energy: -0.2768882889933979
Energy: 0.49217887743122374
Energy: 0.10336758779008032
Energy: 0.7439145024713334
Energy: 0.30584714703519356
Energy: 0.7439145098186399
Energy: 0.3295821308296427
Energy: 0.8444006968790975
Energy: 0.04889283081383866
Energy: 0.8444006968772271
Energy: -0.18334211495873223
Energy: 0.8547836321491155
Energy: 0.32050512791421304
Energy: 0.854783632150986
Energy: 0.30501721088511113
Energy: 0.6099896897781765
Energy: 0.06461342603327037
Energy: 0.609989689755732
Energy: -0.43781503300144814
Energy: 0.7566321992171317
Energy: 0.4753111445074053
Energy: 0.7566321987908559
Energy: 0.3082274259506795
Energy: 0.8337052287523694
Energy: 0.486441072372343
Energy: 0.833705228837429
Energy: -0.16138104268359774
Energy: 0.8351286957911753
Energy: 0.3778331789493382
Energy: 0.8351286957902401
Energy: 0.3033578763981553
Energy: 0.6131127280454184
Energy: 0.25044940128129267
Energy: 0.6131127280435481
Energy: -0.28869668914592506
Energy: 0.8541577061450467
Energy: 0.4760185355098506
Energy: 0.8541577061450467
Energy: 0.30785150627318225
Energy: 0.7410793022883643
Energy: 0.2866189352132846
Energy: 0.7410793022892994
Energy: 0.33151365630684804
Energy: 0.7896165118926409
Energy: 0.3251619757905232
Energy: 0.7896165119300486
Energy: 0.3208043818210201
Energy: 0.7278489754097822
Energy: -0.17955264043096256
Energy: 0.7278489754079117
Energy: 0.06022421434092267
Energy: 0.8621691997341083
Energy: 0.2761354306657329
Energy: 0.8621691997107288
Energy: 0.47230270812281233
Energy: 0.7519411970093405
Energy: -0.32951947390080655
Energy: 0.7519411970448352
Energy: 0.4653751983547223
Energy: 0.8354810729956783
Energy: 0.30448682222599677
Energy: 0.8354810729713634
Energy: 0.5401279330201034
Energy: 0.8477522240400001
Energy: -0.41426743651607606
Energy: 0.8477522240400001
Energy: 0.39017743404829325
Energy: 0.8573369807840536
Energy: 0.27037853802174056
Energy: 0.8573369807840536
Energy: 0.47570697377609616
Energy: 0.8551610600119061
Energy: -0.41529027583683653
Energy: 0.8551610600109709
Energy: 0.05859067577725515
Energy: 0.7445515770407277
Energy: 0.2652827295577681
Energy: 0.7445515770416629
Energy: 0.31929867448433086
Energy: 0.8208439628795972
Energy: 0.3233658034031625
Energy: 0.8208439628786618
Energy: -0.18713666905085477
Energy: 0.8510566241602201
Energy: 0.30579555900507777
Energy: 0.8510566241546088
Energy: 0.2814111757668675
Energy: 0.8592405350354507
Energy: 0.03499316609901159
Energy: 0.8592405350354507
Energy: 0.039263844767572505
Energy: 0.7551720494757718
Energy: 0.48561796720855
Energy: 0.7551720494645495

minimum gb energy = -0.6653641991143622 eV
minimum distance =  2.20750679524273 Angstroms
sigma value = 41


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

Energy: 0.6356109572019573
Energy: 0.6893006948741569
Energy: -1.5609823568000234
Energy: 0.6893006948726235
Energy: -0.01510406257465553
Energy: 0.700868182049024
Energy: -0.28796063738461986
Energy: 0.7008681820497906
Energy: 0.24372482238745824
Energy: 0.6023910181581273
Energy: -0.7144870346065518
Energy: 0.6023910180914592
Energy: -0.2930773751410124
Energy: 0.6373220100902522
Energy: -0.4203717688669872
Energy: 0.6373220100902522
Energy: -0.16348303088463567
Energy: 0.7032764983242812
Energy: -0.8052419671104605
Energy: 0.7032764983426819
Energy: -0.5148888256901676
Energy: 0.6322727275250468
Energy: -0.29069158771046083
Energy: 0.6322727275373139
Energy: -0.3507606914810355
Energy: 0.6969718774155559
Energy: -0.04317543431921494
Energy: 0.6969718774577245
Energy: -0.33316018686044796
Energy: 0.5195041109648832
Energy: -0.25487077763341887
Energy: 0.5195041109541844
Energy: 0.18294322581654088
Energy: 0.6700486549360425
Energy: -0.028897003160685726
Energy: 0.6700486549406428
Energy: -0.40151900774574495
Energy: 0.6152995862739334
Energy: 0.2517571771731262
Energy: 0.6152995863306693
Energy: -0.3901276750230617
Energy: 0.7105656869496808
Energy: -0.0019111485418459274
Energy: 0.7105656869519807
Energy: -0.4095242983127553
Energy: 0.6660634140820517
Energy: 0.6367107620044583
Energy: 0.6660634140759182
Energy: 0.18144857114876248
Energy: 0.6562617093235251
Energy: 0.01154767629796304
Energy: 0.6562617091388547
Energy: -0.49894517388133797
Energy: 0.7356924114891448
Energy: 0.2503901771628523
Energy: 0.7356924115037121
Energy: -0.1259597872904655
Energy: 0.6972564348504285
Energy: -0.2603281164129498
Energy: 0.6972564348481285
Energy: -0.07560494206663106
Energy: 0.6750731612843388
Energy: -0.2443250817001397
Energy: 0.6750731612843388
Energy: 0.17235364962027688
Energy: 0.6564870295789509
Energy: -0.33215171487655637
Energy: 0.6564870297751567
Energy: -0.49391463991615153
Energy: 0.7360153344633871
Energy: -0.17318131689763827
Energy: 0.7360153344641537
Energy: -0.4822283641642542
Energy: 0.532642448682794
Energy: -0.3582076852158366
Energy: 0.532642448682794
Energy: 0.24373175252652385
Energy: 0.7491127826376779
Energy: 0.17420837282368126
Energy: 0.7491127826346111
Energy: 0.260462791916806
Energy: 0.654556688433329
Energy: -0.37325876784562984
Energy: 0.654556688678569
Energy: -0.12567727106129187
Energy: 0.717494326460677
Energy: -0.03262327892304138
Energy: 0.7174943266200812
Energy: 0.3854218884170946
Energy: 0.7154165186385758
Energy: -0.1388380999699998
Energy: 0.7154165186393425
Energy: -0.00029752326168132716
Energy: 0.4373637528701933
Energy: 0.1818364968635368
Energy: 0.43736380802670166
Energy: 0.2578759022237512
Energy: 0.7062643556395355
Energy: -0.6410177535841807
Energy: 0.7062643556502691
Energy: -0.20228843179394873
Energy: 0.7201595154324825
Energy: -0.33406076247752603
Energy: 0.7201595154317156
Energy: -0.32461117106476384
Energy: 0.6769611999587306
Energy: -0.08319314067138428
Energy: 0.6769611999617975
Energy: -0.08932746758290282
Energy: 0.6893448532762438
Energy: -0.15680113802718723
Energy: 0.6893448521243801
Energy: 0.18566727918080558
Energy: 0.7649114394119422
Energy: -0.4700866362850257
Energy: 0.7649114394073421
Energy: -0.13589067656804005
Energy: 0.724108476678622
Energy: 0.11029109959206915
Energy: 0.7241084766441204
Energy: -0.09344536316693687
Energy: 0.7363765808884569
Energy: 0.21583481633033325
Energy: 0.7363765808846583
Energy: -0.2962999831014945
Energy: 0.6865624313870131
Energy: 0.2594217510790683
Energy: 0.6865624313847131

minimum gb energy = -1.5609823568000234 eV
minimum distance =  2.22262161226048 Angstroms
sigma value = 15


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

Energy: 0.4394433398637004
Energy: 0.6159226157411485
Energy: -2.0130246756924643
Energy: 0.6159226157392
Energy: -0.3087247897957162
Energy: 0.3481222442495817
Energy: -0.50132392387677
Energy: 0.3481222272433948
Energy: -0.23786241811101297
Energy: 0.3133888457297255
Energy: -1.0270660928997326
Energy: 0.3133888458342365
Energy: -0.3195477792711077
Energy: 0.5907946111864019
Energy: -0.42463659840633766
Energy: 0.5907946111870515
Energy: -0.5481455292279183
Energy: 0.5896514014351157
Energy: -0.5851229817948339
Energy: 0.5896514015124066
Energy: -0.36652216853323977
Energy: 0.569367888600103
Energy: -0.5347810413578256
Energy: 0.5693678885988039
Energy: 0.10652528585163047
Energy: 0.5516079951103402
Energy: -0.8385444152096871
Energy: 0.5516079951122886
Energy: -0.39409020600829736
Energy: 0.6125035272238446
Energy: -0.68484530694741
Energy: 0.6125035272238446
Energy: -0.6787458872248995
Energy: 0.6130239448236949
Energy: -0.5597729801161574
Energy: 0.6130239448243444
Energy: -0.8398267088495249
Energy: -0.44198502579321514
Energy: -0.46567764364113823
Energy: -0.44008114206840576
Energy: -0.48292206834474666
Energy: 0.5743890431701704
Energy: -0.38418089673113265
Energy: 0.5743890430942376
Energy: -1.1509561021713497
Energy: 0.2378880552004885
Energy: -0.2516197921699293
Energy: 0.23788805514722922
Energy: -0.6608546310836731
Energy: 0.5295535807725591
Energy: -0.1320134037997847
Energy: 0.529553580777755
Energy: -0.611380743919119
Energy: 0.6039713470359745
Energy: 0.2554918086023598
Energy: 0.6039713472229725
Energy: 0.07680515955162526
Energy: 0.5698645571034436
Energy: -0.4306035301843627
Energy: 0.5698645571027942
Energy: -1.2041342581036447
Energy: 0.239153984596534
Energy: -0.2635383919900955
Energy: 0.2391489651518097
Energy: -0.65723870885543
Energy: 0.13256697373798604
Energy: -0.3364729220421123
Energy: 0.1327210458132671
Energy: -0.58005207320297
Energy: 0.6117463227257972
Energy: -0.27007315188935105
Energy: 0.6117463227257972
Energy: 0.08272381050366005
Energy: 0.46397351371623125
Energy: -0.6479011070313582
Energy: 0.46397351032664946
Energy: -0.15204837667815713
Energy: -0.2374919820362711
Energy: -0.3216739966587406
Energy: -0.23746961414130544
Energy: -0.6840489043235332
Energy: 0.6013627766405164
Energy: -0.22031269066920003
Energy: 0.6013627767151503
Energy: 0.06256752231809638
Energy: 0.6138003443850798
Energy: -0.7177891945920858
Energy: 0.6138003443831312
Energy: 0.22958060224277832
Energy: 0.4974986259617544
Energy: -0.28070969228933035
Energy: 0.49749862596954847
Energy: -0.413118941150883
Energy: -0.4488553107745438
Energy: -0.47550502341718465
Energy: -0.44744360792591115
Energy: -0.11794851791310504
Energy: 0.5952860392431785
Energy: -1.0777663690570096
Energy: 0.5952860392425289
Energy: -0.029425871943638278
Energy: 0.6085036834252492
Energy: -0.5450078490019229
Energy: 0.6085036834181048
Energy: 0.4396557640825962
Energy: 0.6064753707535339
Energy: -0.9198100618832414
Energy: 0.6064753707496369
Energy: -0.27351154887189105
Energy: -0.33951658615854974
Energy: -0.6093760108878531
Energy: -0.26648237885245135
Energy: 0.25871347373923576
Energy: 0.6305438370714415
Energy: -1.197345245094644
Energy: 0.6305438370720909
Energy: -0.46811541209079155
Energy: 0.5998300940290189
Energy: -0.7402000472113808
Energy: 0.5998300940692881
Energy: -0.28100648541663226
Energy: 0.6047762412617336
Energy: -0.6015277748894726
Energy: 0.6047762412565375
Energy: -0.5732170361476295
Energy: -0.33619820765346387
Energy: -0.4891058977925313
Energy: -0.2706628166571289
Energy: -0.5944698011147255
Energy: 0.6252048772099563
Energy: 0.03083054368267347
Energy: 0.6252048771333741
Energy: -0.14335672121708765
Energy: 0.5931211380054853
Energy: -0.4700572473180797
Energy: 0.5931211380074338
Energy: -0.7256088015144081
Energy: 0.6059576182533494
Energy: 0.12492692094936116
Energy: 0.6059576182546484
Energy: -0.45731289234505257
Energy: 0.42226708595377277
Energy: -0.49566705564258
Energy: 0.42226709612694646
Energy: -0.384942903493388
Energy: 0.6244442922157001
Energy: -0.3863058139982893
Energy: 0.6244442922073155

minimum gb energy = -2.0130246756924643 eV
minimum distance =  2.23606204918925 Angstroms
sigma value = 85


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

Energy: 0.7065835353602886
Energy: 0.560254601387931
Energy: -0.8466600968734612
Energy: 0.5602546014048305
Energy: 0.5597735837475426
Energy: 0.36760424404870057
Energy: 0.0541816493904255
Energy: 0.36760424364216604
Energy: 0.6586931382500208
Energy: 0.5689378398826194
Energy: -0.4972019503851591
Energy: 0.5689378398831826
Energy: 0.24522299430914776
Energy: 0.3556396934977474
Energy: 0.10376467321189442
Energy: 0.35563970883959567
Energy: 0.3192773094129901
Energy: 0.30629317859369126
Energy: -0.6292331848077697
Energy: 0.3062931786010144
Energy: 0.13236148067666273
Energy: 0.3677430336348402
Energy: 0.08054714175122603
Energy: 0.3677430848236843
Energy: 0.19616950251801724
Energy: 0.5288423048461971
Energy: -0.23816673142335923
Energy: 0.5288423048523936
Energy: 0.19388935215873276
Energy: 0.35546096050121984
Energy: 0.13445187018668817
Energy: 0.35546094575904663
Energy: 0.1489477467559217
Energy: 0.48819960237085436
Energy: 0.20035277318040598
Energy: 0.48819960238437393
Energy: 0.024063775294908656
Energy: 0.5045150400522895
Energy: 0.2230700772234671
Energy: 0.5045150400539795
Energy: 0.07517203196914894
Energy: 0.5176679200136056
Energy: 0.08600793300070499
Energy: 0.5176679322197577
Energy: -0.7406260131376022
Energy: 0.4558841288031998
Energy: 0.2593676936466863
Energy: 0.45588412877334406
Energy: 0.15659645154793175
Energy: 0.4963617842103588
Energy: 0.049239885315398295
Energy: 0.4963617842103588
Energy: -0.8001667545428574
Energy: 0.544183947174042
Energy: 0.42622834586143216
Energy: 0.5441839471667443
Energy: 0.11534876612140296
Energy: 0.5287602538531972
Energy: 0.6814199258902094
Energy: 0.5287602538515074
Energy: -0.4123815099374855
Energy: 0.5237422498548776
Energy: 0.5741280954697102
Energy: 0.5237422498509343
Energy: 0.14606139616698285
Energy: 0.13024565716248845
Energy: 0.13029388116794896
Energy: 0.13024565709266292
Energy: -0.6864357962189211
Energy: 0.3558917506282835
Energy: 0.42442332766788093
Energy: 0.35589186560344893
Energy: 0.12637666276776635
Energy: 0.5269506910805511
Energy: 0.32998356500689857
Energy: 0.5269506910940451
Energy: -0.37235166987253776
Energy: 0.5381763285986058
Energy: 0.29085449529930574
Energy: 0.5381763285991691
Energy: 0.11770965333963637
Energy: 0.15897974164741666
Energy: 0.5059991961814883
Energy: 0.15897972872787655
Energy: -0.07507687385380862
Energy: 0.337058099524441
Energy: 0.220149415288138
Energy: 0.3370580930407557
Energy: 0.08933360457299151
Energy: 0.46147561236657797
Energy: 0.11856850605127897
Energy: 0.46147561236207146
Energy: 0.13392943145708944
Energy: 0.54522736442483
Energy: 0.09820502372000899
Energy: 0.5452273644282098
Energy: 0.21050151793978059
Energy: 0.19084847819407805
Energy: 0.025634504623612157
Energy: 0.1908484781524183
Energy: 0.05745099525289551
Energy: 0.337433730003377
Energy: 0.07808391235566203
Energy: 0.3374337299420013
Energy: 0.3182815038591571
Energy: 0.46376958585173556
Energy: -0.24183582493773384
Energy: 0.4637695858528622
Energy: 0.34414189785050614
Energy: 0.54239435853311
Energy: 0.1008068873583293
Energy: 0.5423943585336733
Energy: 0.42510817060986483
Energy: 0.5514593550800304
Energy: -0.9008042956288436
Energy: 0.5514593550817203
Energy: 0.7638627686104993
Energy: 0.5337790237748462
Energy: 0.07380157954642978
Energy: 0.5337790238367853
Energy: 0.7073712202666431
Energy: 0.5566632670014001
Energy: -0.8137795460087316
Energy: 0.5566632670002735
Energy: 0.703869605521251
Energy: 0.5423790644525333
Energy: 0.10090135946653729
Energy: 0.5423790644525333
Energy: 0.4237780358172575
Energy: 0.3573365643958944
Energy: -0.9456023491609311
Energy: 0.357336589241158
Energy: 0.571871848311663
Energy: 0.34888471701229096
Energy: 0.07767420496924193
Energy: 0.34888471683548666
Energy: 0.3197257867551044
Energy: 0.5552953641760766
Energy: -0.20810613685801957
Energy: 0.5552953641873429
Energy: 0.26499382691929935
Energy: 0.5536331842226319
Energy: 0.09752761143742243
Energy: 0.5536331842254486
Energy: 0.22360145549256666
Energy: 0.531894375976271
Energy: 0.022491538780478038
Energy: 0.5318943759768343
Energy: -0.20161671565706077
Energy: 0.53458512177678
Energy: 0.09244729532553436
Energy: 0.5345851217739633
Energy: 0.10101908014726857
Energy: 0.5405835042815824
Energy: 0.17187739121651946
Energy: 0.5405835042782281
Energy: -0.05082229333548339
Energy: 0.5625364229455988
Energy: 0.2419769889352998
Energy: 0.5625364229416556
Energy: 0.06426685706919719
Energy: 0.33985955224074693
Energy: 0.0487580615242149
Energy: 0.3398595524349884
Energy: -0.14979393893486695
Energy: 0.5287924010170701
Energy: 0.28017302119398235
Energy: 0.5287924010012973
Energy: 0.11615538110192303
Energy: 0.5337071735662627
Energy: 0.5333095924026285
Energy: 0.5337071735729969

minimum gb energy = -0.9456023491609311 eV
minimum distance =  2.24457790717486 Angstroms
sigma value = 113


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

Energy: 0.0166040868316152
Energy: 0.017248214100384816
Energy: 0.5961433434913022
Energy: 0.0172482141007938
Energy: 0.48192729854971533
Energy: -5.3972162173920095
Energy: -5.39884307024115
Energy: -5.3972162173903255
Energy: 0.0166040868316152
Energy: 0.017248214100384816
Energy: 0.5961433434938523
Energy: 0.017248214100384816
Energy: 0.4819272985493064
Energy: -5.3972162173894835
Energy: -5.39884307024115
Energy: -5.397216217394127
Energy: 0.0166040868316152
Energy: 0.017248214100384816
Energy: 1.3873600411859095
Energy: 0.017248214100384816
Energy: 0.4819272985493064
Energy: -5.397216217392443
Energy: -5.398843070242425
Energy: -5.397216217390734

minimum gb energy = -5.398843070242425 eV
minimum distance =  2.45528944059956 Angstroms
sigma value = 1