Model name: model_name=EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005
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=3.52000005543232
cohesive_energy=4.4278017536966265
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=[2.0950862754501e-19, 2.9431023460599597e-19, 3.5815216694099394e-19, 4.0977109373520595e-19, 4.52952958374774e-19, 4.898046231334079e-19, 5.21657496793962e-19, 5.49412002624744e-19, 5.73720226515792e-19, 5.950660258105739e-19, 6.13830718547982e-19, 6.30309105228672e-19, 6.4474792105428e-19, 6.573426315741539e-19, 6.68264669688132e-19, 6.77653424763372e-19, 6.856306622240579e-19, 6.92302125728034e-19, 6.977591393434381e-19, 7.02083414078604e-19, 7.053438435287939e-19, 7.076061169360019e-19, 7.089263104824179e-19, 7.0935569382033e-19, 7.08894266949738e-19, 7.07405844856752e-19, 7.04706177228462e-19, 7.00582174572546e-19, 6.947774886275639e-19, 6.869861036564219e-19, 6.76836314680032e-19, 6.63881114417508e-19, 6.475773649899239e-19, 6.27255356564268e-19, 6.020899681740299e-19, 5.71059011126718e-19, 5.3287593758523e-19, 4.859161404426899e-19, 4.28099994428166e-19, 3.5673904714980596e-19, 2.68314918719346e-19, 1.5815854598998318e-19, 1.9965043471600798e-20, -1.549181437477182e-19, -3.7862638214687997e-19, -6.685706854252259e-19, -1.05045909919893e-18, -1.5634552291094879e-18, -2.2693390061639397e-18, -3.2702828364890998e-18, -4.74696097474788e-18]
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: -0.022546436667 eV

========================================
theta = 0.0
========================================

Energy: 0.0180102811827291
Energy: 1.1607028747967922
Energy: 0.9483016918943914
Energy: 0.01830935631122836
Energy: 1.1607028747942196
Energy: 1.2726661637827037
Energy: 1.1607028747980788
Energy: 1.2726661637820422
Energy: 0.9483016918963392
Energy: 1.160702874795506
Energy: 0.0180102811827291
Energy: 1.0387646390337337
Energy: 0.01830935631122836
Energy: 1.2726661637827037
Energy: 1.0387646385578742
Energy: 1.2726661637814174

minimum gb energy = 0.0180102811827291 eV
minimum distance =  2.48110627250337 Angstroms
sigma value = 1


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

Energy: 1.7899456541020133
Energy: 1.1954623336097479
Energy: 1.2320627883984885
Energy: 1.156539723208681
Energy: 1.212520762838256
Energy: 1.2800942617704922
Energy: 1.184305848370148
Energy: 1.28009426176969
Energy: 1.2305872750395315
Energy: 1.228723786051215
Energy: 1.182264046664358
Energy: 1.228723786051215
Energy: 1.187708250909684
Energy: 1.341759158901133
Energy: 1.1842506401322346
Energy: 1.341759158901133
Energy: 1.667379203130342
Energy: 1.1823359994111338
Energy: 1.181774237943118
Energy: 1.1823359994143428
Energy: 1.2641960524848401
Energy: 1.2585313479452358
Energy: 1.1826610832791973
Energy: 1.2585313479444333
Energy: 1.2559601470706248
Energy: 1.3124428006067366
Energy: 1.2541779608582098
Energy: 1.3124428006083413
Energy: 1.2544696382487284
Energy: 1.3122746905080889
Energy: 1.2973953746188538
Energy: 1.3122746905064842
Energy: 1.280124069936573
Energy: 1.4085291085002292
Energy: 1.280221089586892
Energy: 1.4085291085018337
Energy: 1.2956517055090209
Energy: 1.3705743661067005
Energy: 1.2808821143046614
Energy: 1.3705743661067005
Energy: 1.2764546763337161
Energy: 1.4082447167558434
Energy: 1.2805949862578503
Energy: 1.4082447167526342
Energy: 1.2551371886703049
Energy: 1.4060780460601117
Energy: 1.2971895550670418
Energy: 1.4060780460617162
Energy: 1.2792304689422411
Energy: 1.3123875777198568
Energy: 1.2112537580234326
Energy: 1.3123875777198568
Energy: 1.2640910919416655
Energy: 1.3118639530450222
Energy: 1.2564366741085964
Energy: 1.3118639530450222
Energy: 1.2117738863500203
Energy: 1.1816505739840286
Energy: 1.1819765989672113
Energy: 1.1816505739832264
Energy: 1.2257454514996193
Energy: 1.1822438754257953
Energy: 1.1835023836479015
Energy: 1.1822438754257953
Energy: 1.2312573829600535
Energy: 1.2283967556434212
Energy: 1.1528788483473276
Energy: 1.2283967556466304
Energy: 1.183851370128869
Energy: 1.187421036994861
Energy: 1.2133791000618461
Energy: 1.187421036997268
Energy: 1.1825658352747666
Energy: 1.229187055937291
Energy: 1.230602419185379
Energy: 1.2291870559380933
Energy: 1.263970067077987
Energy: 1.1865071750736624
Energy: 1.1862913881999293
Energy: 1.1865071750744645
Energy: 1.1825863895236814
Energy: 1.1818948523749986
Energy: 1.2622389785863468
Energy: 1.1818948523766033
Energy: 1.183195412131687
Energy: 1.1831390441133978
Energy: 1.2647267543559817
Energy: 1.1831390441125955
Energy: 1.2537327363712314
Energy: 1.3118526338760543
Energy: 1.253339304597925
Energy: 1.3118526338760543
Energy: 1.297909407404185
Energy: 1.3120250094289747
Energy: 1.255911419333815
Energy: 1.3120250094281725
Energy: 1.2802724795073097
Energy: 1.4060063740623103
Energy: 1.2798201017543986
Energy: 1.406006374063915
Energy: 1.282448091392699
Energy: 1.4048180135572348
Energy: 1.2981729299903528
Energy: 1.4048180135564325
Energy: 1.280490844095179
Energy: 1.4053934552976926
Energy: 1.2761054429930014
Energy: 1.4053934552992973
Energy: 1.2985294296821648
Energy: 1.4100988384174122
Energy: 1.2869575111968194
Energy: 1.4100988384182145
Energy: 1.2106318378663026
Energy: 1.3122600942203606
Energy: 1.2800350539735843
Energy: 1.3122600942203606
Energy: 1.256545757842634
Energy: 1.3121755096411192
Energy: 1.2640667149006561
Energy: 1.3121755096403167
Energy: 1.1811615400218327
Energy: 1.1815101284317606
Energy: 1.21192637748028
Energy: 1.1815101284333656
Energy: 1.1826749140828081
Energy: 1.181964289238998
Energy: 1.2268498326980999
Energy: 1.181964289238998
Energy: 1.1530434059724108
Energy: 1.2282290450455693
Energy: 1.23282441431387
Energy: 1.2282290450455693

minimum gb energy = 1.1528788483473276 eV
minimum distance =  2.20279861404877 Angstroms
sigma value = 1


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

Energy: 2.021363207913397
Energy: 1.2103707437857825
Energy: 1.2925883023818354
Energy: 1.21037074377572
Energy: 1.2807843241469639
Energy: 1.3436335846377174
Energy: 1.2423812257401814
Energy: 1.3436335846422913
Energy: 1.2915051950545895
Energy: 1.291857359286264
Energy: 1.2427854833786018
Energy: 1.2918573592844347
Energy: 1.2484049797435384
Energy: 1.4136769165356375
Energy: 1.242113652390408
Energy: 1.4136769165402112
Energy: 1.2432929741800895
Energy: 1.2421586783041807
Energy: 1.2425216065614888
Energy: 1.2421586783050957
Energy: 1.3393916342998433
Energy: 1.2432447840370975
Energy: 1.2415171836120433
Energy: 1.2432447840343532
Energy: 1.3306085358233053
Energy: 1.3946128936914972
Energy: 1.3275756084515324
Energy: 1.3946128936969857
Energy: 1.3292586388484988
Energy: 1.3967662253105368
Energy: 1.3721482810838626
Energy: 1.3967662253123665
Energy: 1.3277257520115395
Energy: 1.487452645954723
Energy: 1.3465229033518245
Energy: 1.4874526459602115
Energy: 1.3739610843165198
Energy: 1.4555509327521292
Energy: 1.3285265983675776
Energy: 1.4555509327466405
Energy: 1.2794050067350033
Energy: 1.394781462279672
Energy: 1.3651575287695545
Energy: 1.3947814622787575
Energy: 1.328886576465324
Energy: 1.3951226526595542
Energy: 1.339525883460961
Energy: 1.395122652666872
Energy: 1.2428534624394068
Energy: 1.2417407889583105
Energy: 1.2799487695847933
Energy: 1.2417407889573957
Energy: 1.2429674682303193
Energy: 1.2422237877950357
Energy: 1.2895120254399348
Energy: 1.2422237877959506
Energy: 1.2059099404644613
Energy: 1.2908582408267328
Energy: 1.2951134034526661
Energy: 1.2908582408267328
Energy: 1.2806742333989962
Energy: 1.2485777240458231
Energy: 1.2424396738339525
Energy: 1.2485777240458231
Energy: 1.291443381353432
Energy: 1.292522226119132
Energy: 1.260869281265811
Energy: 1.2925222261218763
Energy: 1.2477064199958816
Energy: 1.2485596042973723
Energy: 1.3387422853522142
Energy: 1.2485596042973723
Energy: 1.2421688889171176
Energy: 1.2424016617147833
Energy: 1.2436836579318469
Energy: 1.2424016617184424
Energy: 1.3393735116967813
Energy: 1.242893139639949
Energy: 1.2431568934639936
Energy: 1.2428931396362903
Energy: 1.3276537113382112
Energy: 1.3946937594841466
Energy: 1.3263288924041137
Energy: 1.3946937594887203
Energy: 1.3293028864236296
Energy: 1.3949470063438174
Energy: 1.373137330893132
Energy: 1.394947006348391
Energy: 1.328120701594835
Energy: 1.4883007923999074
Energy: 1.345661682635635
Energy: 1.4883007924017373
Energy: 1.3733172847086939
Energy: 1.489104896024232
Energy: 1.3607769617018217
Energy: 1.489104896019658
Energy: 1.2795072782182775
Energy: 1.3951313930527511
Energy: 1.366568528914853
Energy: 1.3951313930527511
Energy: 1.3289482102111634
Energy: 1.3953976819271994
Energy: 1.3399498845141387
Energy: 1.395397681931773
Energy: 1.2415551663952926
Energy: 1.2416452852069966
Energy: 1.2821406794536752
Energy: 1.2416452852060815
Energy: 1.2427390295799396
Energy: 1.2421728778033705
Energy: 1.2899249276574576
Energy: 1.2421728777960523
Energy: 1.205074512039822
Energy: 1.2916078041348469
Energy: 1.2975237293855904
Energy: 1.291607804133932

minimum gb energy = 1.205074512039822 eV
minimum distance =  2.20225477242763 Angstroms
sigma value = 25


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

Energy: 1.9324851710768758
Energy: 1.3208884372557628
Energy: 1.3612365207815649
Energy: 1.2674536455743248
Energy: 1.3625441660990971
Energy: 1.4111196762507623
Energy: 1.310525562160875
Energy: 1.4111196762518259
Energy: 1.3602833665334702
Energy: 1.3619207574581702
Energy: 1.3110247921857576
Energy: 1.3619207574581702
Energy: 1.3188295238017056
Energy: 1.411436829189576
Energy: 1.311039279324645
Energy: 1.411436829189576
Energy: 1.3097686754511575
Energy: 1.3104776566230345
Energy: 1.3118584625160628
Energy: 1.3104776566230345
Energy: 1.4292129849630135
Energy: 1.3114210131670134
Energy: 1.3105306702902402
Energy: 1.31142101316595
Energy: 1.4072967277392117
Energy: 1.4949390769060122
Energy: 1.4058288012186169
Energy: 1.4949390769060122
Energy: 1.4086645193813974
Energy: 1.497179964519488
Energy: 1.4616070749550247
Energy: 1.4971799645184245
Energy: 1.408397737757943
Energy: 1.495170638984997
Energy: 1.3654421002665926
Energy: 1.4951706389871238
Energy: 1.4291785899757947
Energy: 1.4951938988349769
Energy: 1.3099356380561764
Energy: 1.4951938988360403
Energy: 1.2574569822271484
Energy: 1.3107063536244843
Energy: 1.3123308242412302
Energy: 1.310706353623421
Energy: 1.3605630478303528
Energy: 1.310164355815117
Energy: 1.311163391706744
Energy: 1.310164355815117
Energy: 1.3604973395881648
Energy: 1.3606041415072136
Energy: 1.2596226062211238
Energy: 1.3606041415061503
Energy: 1.3107680364196412
Energy: 1.3187043860293635
Energy: 1.361651121076692
Energy: 1.318704386030427
Energy: 1.3363478311021733
Energy: 1.3618156110969248
Energy: 1.3618983686739528
Energy: 1.3618156110969248
Energy: 1.4676822138018615
Energy: 1.3186341050446369
Energy: 1.3185855474528718
Energy: 1.3186341050446369
Energy: 1.3119609609866612
Energy: 1.3100485838337266
Energy: 1.3109076854536654
Energy: 1.3100485838315998
Energy: 1.3127200649614197
Energy: 1.3100539795505322
Energy: 1.4299495870719763
Energy: 1.3100539795515957
Energy: 1.405891097892305
Energy: 1.4950514852461074
Energy: 1.4094450983425435
Energy: 1.4950514852482342
Energy: 1.463012181544003
Energy: 1.495425683788475
Energy: 1.4284188958891155
Energy: 1.4954256837874114
Energy: 1.3641519306693324
Energy: 1.4951041331618327
Energy: 1.4093537011449215
Energy: 1.4951041331607693
Energy: 1.3619231820095112
Energy: 1.4948694318583033
Energy: 1.4294775612093236
Energy: 1.4948694318593667
Energy: 1.3108862147365987
Energy: 1.3103009110432902
Energy: 1.257417076634672
Energy: 1.3103009110443535
Energy: 1.3112162718771427
Energy: 1.3099721890005926
Energy: 1.2583535663469851
Energy: 1.3099721890005926
Energy: 1.2596759541937192
Energy: 1.3636299083054453
Energy: 1.367741410920569
Energy: 1.3636299083033185

minimum gb energy = 1.257417076634672 eV
minimum distance =  2.20033101006533 Angstroms
sigma value = 9


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

Energy: 1.8025083038667666
Energy: 1.3279628235097973
Energy: 1.4368203146944438
Energy: 1.3279628235110659
Energy: 1.51259290461896
Energy: 1.4801437886652495
Energy: 1.3927200907375592
Energy: 1.4801437886652495
Energy: 1.4363467587325918
Energy: 1.4371001427773804
Energy: 1.4423406494118254
Energy: 1.4371001427773804
Energy: 1.4030134525856879
Energy: 1.4810135052830686
Energy: 1.392720698653535
Energy: 1.4810135052843372
Energy: 1.4381492617669156
Energy: 1.3917355990828908
Energy: 1.3947970140623658
Energy: 1.3917355990854279
Energy: 1.545565419891787
Energy: 1.3931682224482589
Energy: 1.391971417964274
Energy: 1.3931682224482589
Energy: 1.470192289651961
Energy: 1.5836593732013202
Energy: 1.43994838802011
Energy: 1.5836593732013202
Energy: 1.3936304527530512
Energy: 1.5856348741297202
Energy: 1.5450058432682785
Energy: 1.5856348741284516
Energy: 1.3915263675522536
Energy: 1.392553619019674
Energy: 1.3117156923458935
Energy: 1.3925536190184054
Energy: 1.3924900226166086
Energy: 1.3925009218715194
Energy: 1.3118756014900572
Energy: 1.392500921872788
Energy: 1.312231440607593
Energy: 1.4367515064946828
Energy: 1.4367194584863905
Energy: 1.4367515064984886
Energy: 1.4692838306630225
Energy: 1.4020458882909084
Energy: 1.43817788607449
Energy: 1.402045888292177
Energy: 1.4394132988682853
Energy: 1.4362473932386375
Energy: 1.4342209322598467
Energy: 1.4362473932399062
Energy: 1.4404211596316292
Energy: 1.4027831428820428
Energy: 1.5719253120772534
Energy: 1.402783142880774
Energy: 1.4382464658015395
Energy: 1.391617636491398
Energy: 1.3918425245567987
Energy: 1.391617636491398
Energy: 1.5449309793179724
Energy: 1.3920835251611332
Energy: 1.3917081770814073
Energy: 1.3920835251611332
Energy: 1.4692357490900887
Energy: 1.5843318019368409
Energy: 1.4399993956857369
Energy: 1.5843318019343038
Energy: 1.469642284985348
Energy: 1.5821197205482103
Energy: 1.5482033038544514
Energy: 1.5821197205482103
Energy: 1.3903485536742601
Energy: 1.3925009638248835
Energy: 1.3120517983116466
Energy: 1.392500963826152
Energy: 1.3924449620046726
Energy: 1.3918356021963258
Energy: 1.3116855843901567
Energy: 1.3918356021963258
Energy: 1.3121480842660327
Energy: 1.4408992361330084
Energy: 1.4412172860634322
Energy: 1.4408992361330084

minimum gb energy = 1.3116855843901567 eV
minimum distance =  2.2088814683948 Angstroms
sigma value = 25


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

Energy: 1.6197530079715112
Energy: 1.4697551346392241
Energy: 1.5232849900284793
Energy: 1.3890363849265859
Energy: 1.5329650064933074
Energy: 1.499203860930778
Energy: 1.5229028460156826
Energy: 1.499203860930778
Energy: 1.5228935444834641
Energy: 1.5231291600342858
Energy: 1.5191602601942262
Energy: 1.5231291600342858
Energy: 1.5272124043955106
Energy: 1.4985446800551876
Energy: 1.4172773644842995
Energy: 1.4985446800551876
Energy: 1.4927040399972444
Energy: 1.4965552100384314
Energy: 1.4970703612363132
Energy: 1.4965552100384314
Energy: 1.377935512726094
Energy: 1.498427306885843
Energy: 1.4173151792664533
Energy: 1.498427306884274
Energy: 1.6105351542707267
Energy: 1.4980931946582718
Energy: 1.4944038668773143
Energy: 1.4980931946582718
Energy: 1.3692408967366425
Energy: 1.5934371218768142
Energy: 1.4181209071922003
Energy: 1.593437121878383
Energy: 1.5232197664631022
Energy: 1.523215965344052
Energy: 1.6737769079790137
Energy: 1.523215965344052
Energy: 1.524080309545137
Energy: 1.5234079010633195
Energy: 1.6755887185896399
Energy: 1.5234079010633195
Energy: 1.5204741839505733
Energy: 1.5224247066522323
Energy: 1.5271038799608798
Energy: 1.5224247066522323
Energy: 1.5255272371643394
Energy: 1.526534089458797
Energy: 1.5253649240191525
Energy: 1.526534089458797
Energy: 1.4189548058213328
Energy: 1.5948012966730138
Energy: 1.4927742378041624
Energy: 1.5948012966730138
Energy: 1.4975871079629797
Energy: 1.5001027631612596
Energy: 1.3773792731394143
Energy: 1.5001027631628283
Energy: 1.4958960096008698
Energy: 1.4992127010111997
Energy: 1.6070668812771662
Energy: 1.4992127010111997
Energy: 1.4172928769571962
Energy: 1.5963339716490255
Energy: 1.6082525532220253
Energy: 1.5963339716505942
Energy: 1.673010414444696
Energy: 1.526645749437423
Energy: 1.5254533430616741
Energy: 1.526645749437423

minimum gb energy = 1.3692408967366425 eV
minimum distance =  2.21834238997849 Angstroms
sigma value = 17


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

Energy: 2.125968167404707
Energy: 1.6205578619111143
Energy: 1.6559157257364698
Energy: 1.57791743969711
Energy: 1.5177518497103244
Energy: 1.515662180972683
Energy: 1.6812562270330438
Energy: 1.51566218097446
Energy: 1.4936874764659156
Energy: 1.4924921288353112
Energy: 1.654332523538214
Energy: 1.4924921288335344
Energy: 1.4924006443014093
Energy: 1.4919173908774133
Energy: 1.5133894594607322
Energy: 1.4919173908783014
Energy: 1.582630394648143
Energy: 1.6407307797400623
Energy: 1.5588524841599691
Energy: 1.6407307797400623
Energy: 1.4917915079499133
Energy: 1.6431579147910633
Energy: 1.5794133423401133
Energy: 1.6431579147910633
Energy: 1.561685051315802
Energy: 1.4914574243363372
Energy: 1.4950012030378401
Energy: 1.4914574243372254
Energy: 1.7413293935822116
Energy: 1.4910462384959238
Energy: 1.4912189108269462
Energy: 1.4910462384968124
Energy: 1.6616223454431283
Energy: 1.6554351935485048
Energy: 1.6555123016062776
Energy: 1.6554351935485048
Energy: 1.6580028502288957
Energy: 1.6588412451437913
Energy: 1.673844115681709
Energy: 1.6588412451437913
Energy: 1.5783029345213861
Energy: 1.4888197879805902
Energy: 1.4891813039686852
Energy: 1.4888197879788132
Energy: 1.700566527143231
Energy: 1.4891657349547445
Energy: 1.4887816158293934
Energy: 1.4891657349556329
Energy: 1.5639112439936906
Energy: 1.4883245941734744
Energy: 1.4878656598734918
Energy: 1.4883245941734744
Energy: 1.5629271811489873
Energy: 1.5126028180435045
Energy: 1.451573526043745
Energy: 1.5126028180435045
Energy: 1.6635218497435436
Energy: 1.6558114765838157
Energy: 1.7442729418005798
Energy: 1.6558114765820386
Energy: 1.6536853707905381
Energy: 1.6541965000446401
Energy: 1.7404911960621068
Energy: 1.6541965000455288
Energy: 1.6580930439478252
Energy: 1.4917996797645188
Energy: 1.4917694355143598
Energy: 1.4917996797645188
Energy: 1.6581497802001992
Energy: 1.491799567985713
Energy: 1.4898328330645698
Energy: 1.4917995679848244
Energy: 1.491701246120892
Energy: 1.6415827483202998
Energy: 1.5814132285683251
Energy: 1.6415827483202998
Energy: 1.5535402764069504
Energy: 1.6433826441803352
Energy: 1.5806114907922513
Energy: 1.6433826441794468
Energy: 1.491879309707731
Energy: 1.4917117140631495
Energy: 1.8364731178867986
Energy: 1.4917117140622609
Energy: 1.4925023406757825
Energy: 1.493666537402032
Energy: 1.563276638920524
Energy: 1.4936665374038087
Energy: 1.6537791451211807
Energy: 1.6598280649471806
Energy: 1.65340946665284
Energy: 1.6598280649489574
Energy: 1.6560454235203752
Energy: 1.6548737647546117
Energy: 1.6531210513712447
Energy: 1.6548737647555003
Energy: 1.4532029900027992
Energy: 1.487500900570143
Energy: 1.6629327879666047
Energy: 1.487500900570143
Energy: 1.4884855343977057
Energy: 1.4890907927607326
Energy: 1.5790974954160313
Energy: 1.489090792761621
Energy: 1.4518713537301426
Energy: 1.572138594995511
Energy: 1.607590659536078
Energy: 1.572138594997288
Energy: 1.4900269307645522
Energy: 1.4892315401200844
Energy: 1.5649940245046206
Energy: 1.4892315401200844
Energy: 1.4910660668877995
Energy: 1.5159120845463927
Energy: 1.5642876344224392
Energy: 1.5159120845446157
Energy: 1.738942512649567
Energy: 1.6541273461271369
Energy: 1.6538561060860353
Energy: 1.6541273461289137

minimum gb energy = 1.451573526043745 eV
minimum distance =  2.19029780246274 Angstroms
sigma value = 53


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

Energy: 1.931454243187853
Energy: 1.3976408633471318
Energy: 1.5788672878953354
Energy: 1.3976408633491773
Energy: 1.7476402150346613
Energy: 1.5661646332104548
Energy: 1.5644393616356933
Energy: 1.5661646332084094
Energy: 1.5648616064181875
Energy: 1.5659121441501076
Energy: 1.6081519868717455
Energy: 1.5659121441501076
Energy: 1.56651260383964
Energy: 1.4822800707873094
Energy: 1.5627976163602888
Energy: 1.4822800707873094
Energy: 1.5875984321924819
Energy: 1.4818774671378365
Energy: 1.368527243860757
Energy: 1.4818774671378365
Energy: 1.5639781577371745
Energy: 1.48276209899916
Energy: 1.368816895586243
Energy: 1.4827620990012054
Energy: 1.7460547565255333
Energy: 1.5637302676791136
Energy: 1.5642093927665166
Energy: 1.5637302676770684
Energy: 1.7454527595246396
Energy: 1.562249336854383
Energy: 1.5621492643081163
Energy: 1.562249336854383
Energy: 1.5641863853957807
Energy: 1.5659277308751613
Energy: 1.6103353097884796
Energy: 1.5659277308751613
Energy: 1.562538802559271
Energy: 1.5639535817777321
Energy: 1.564637255454746
Energy: 1.563953581781823
Energy: 1.5901648918574551
Energy: 1.4835182944610148
Energy: 1.3690287743240022
Energy: 1.4835182944630605
Energy: 1.565967989391445
Energy: 1.481674113357895
Energy: 1.3684793627492067
Energy: 1.4816741133558498
Energy: 1.746039787008732
Energy: 1.5634044117164947
Energy: 1.5609552897893464
Energy: 1.5634044117144492

minimum gb energy = 1.3684793627492067 eV
minimum distance =  2.22451986152959 Angstroms
sigma value = 9


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

Energy: 1.885214857626492
Energy: 1.6930225689057363
Energy: 1.7441035407477141
Energy: 1.6432076351280285
Energy: 1.4916503950579856
Energy: 1.4779535702273994
Energy: 1.7356606535050811
Energy: 1.4779535702258848
Energy: 1.4790826385251257
Energy: 1.479281674062013
Energy: 1.7527559701817508
Energy: 1.4792816740612558
Energy: 1.4787341997857533
Energy: 1.4795718123164687
Energy: 1.8126373756971859
Energy: 1.4795718123179826
Energy: 1.4820187150319108
Energy: 1.4774863150337973
Energy: 1.8030531795515181
Energy: 1.4774863150330404
Energy: 1.5131316624766264
Energy: 1.4781167490210025
Energy: 1.8021358274792503
Energy: 1.4781167490240308
Energy: 1.7341123233872489
Energy: 1.7119029522070575
Energy: 1.7398270091872283
Energy: 1.7119029522063003
Energy: 1.7353346200673272
Energy: 1.710145438060927
Energy: 1.7112189269339444
Energy: 1.7101454380601697
Energy: 1.565242522591432
Energy: 1.6525104786042555
Energy: 1.5620212401639866
Energy: 1.6525104786012272
Energy: 1.4672212194343732
Energy: 1.5642827194336058
Energy: 1.7148828804836644
Energy: 1.5642827194320916
Energy: 1.5524223335124556
Energy: 1.552151985073268
Energy: 1.6233441359511622
Energy: 1.5521519850740253
Energy: 1.5543227547690424
Energy: 1.6350072116908905
Energy: 1.8451046992327358
Energy: 1.6350072116908905
Energy: 1.7365540346745505
Energy: 1.5535767205347821
Energy: 1.5558032720011163
Energy: 1.5535767205332676
Energy: 1.7357855176436372
Energy: 1.5539570083528185
Energy: 1.5547817529562795
Energy: 1.5539570083513043
Energy: 1.7122946639134065
Energy: 1.5658627816290505
Energy: 1.5712253608724385
Energy: 1.5658627816267796
Energy: 1.655689615239972
Energy: 1.6439286323818105
Energy: 1.56848117508676
Energy: 1.6439286323833249
Energy: 1.7115924597803351
Energy: 1.646401026716202
Energy: 1.6088313638744718
Energy: 1.6464010267146878
Energy: 1.711096396724678
Energy: 1.714185902279517
Energy: 1.8382455077619286
Energy: 1.7141859022787602
Energy: 1.7355542109239828
Energy: 1.710913390072625
Energy: 1.4841096347616167
Energy: 1.710913390070354
Energy: 1.7568311345102674
Energy: 1.4796646410899843
Energy: 1.4792759441363563
Energy: 1.4796646410899843
Energy: 1.735894583321415
Energy: 1.4788599887758673
Energy: 1.479470345076837
Energy: 1.4788599887751104
Energy: 1.8033274506244277
Energy: 1.4772495154317484
Energy: 1.478813607415356
Energy: 1.4772495154294771
Energy: 1.8033183387286364
Energy: 1.478162645847632
Energy: 1.4797317526182974
Energy: 1.478162645846118
Energy: 1.7426565143321566
Energy: 1.7114145815592663
Energy: 1.734100677178053
Energy: 1.711414581560023
Energy: 1.7126465132708362
Energy: 1.7103508306942803
Energy: 1.7344186219821782
Energy: 1.7103508306957946
Energy: 1.5644355850397345
Energy: 1.7189395251426747
Energy: 1.5556306710804484
Energy: 1.7189395251419173
Energy: 1.7131640067315745
Energy: 1.5646810478999342
Energy: 1.4664817567718962
Energy: 1.5646810479014486
Energy: 1.6219006825288016
Energy: 1.5532119820544181
Energy: 1.554238870433999
Energy: 1.553211982052147
Energy: 1.8404219294592812
Energy: 1.5579522675136426
Energy: 1.5538034878401394
Energy: 1.5579522675136426
Energy: 1.5555909679655788
Energy: 1.5525158194274855
Energy: 1.7347739552607484
Energy: 1.5525158194274855
Energy: 1.553824138221714
Energy: 1.5540831242243216
Energy: 1.7516477526109666
Energy: 1.5540831242265924
Energy: 1.5534762968785252
Energy: 1.567370181766601
Energy: 1.6726595560116293
Energy: 1.5673701817696293
Energy: 1.5657460498163795
Energy: 1.6432805411356595
Energy: 1.6566594096583958
Energy: 1.6432805411356595
Energy: 1.5539006254660448
Energy: 1.641865179608882
Energy: 1.6203049458593197
Energy: 1.64186517961191
Energy: 1.84761819561237
Energy: 1.7124542186473606
Energy: 1.7104947850665038
Energy: 1.7124542186466034

minimum gb energy = 1.4664817567718962 eV
minimum distance =  2.21926959638523 Angstroms
sigma value = 73


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

Energy: 1.998020753179372
Energy: 1.6060978310228944
Energy: 1.6475507798531301
Energy: 1.6060978310240954
Energy: 1.4877577711416292
Energy: 1.7762648515622141
Energy: 1.687187048951546
Energy: 1.7762648515622141
Energy: 1.5043602239728013
Energy: 1.5050940356027473
Energy: 1.7083412544933676
Energy: 1.5050940356027473
Energy: 1.5043604675989874
Energy: 1.505172588034395
Energy: 1.6873397725811141
Energy: 1.505172588033194
Energy: 1.5068910866289194
Energy: 1.5066592108794563
Energy: 1.770729121898759
Energy: 1.5066592108782824
Energy: 1.6083579763219573
Energy: 1.5065491895867391
Energy: 1.7697344367146526
Energy: 1.5065491895879404
Energy: 1.5657042072074372
Energy: 1.6908287795058703
Energy: 1.7288871359441513
Energy: 1.6908287795034682
Energy: 1.5644466962228276
Energy: 1.6877352432256112
Energy: 1.6874030675923224
Energy: 1.687735243226812
Energy: 1.5803827452328731
Energy: 1.7227827642006106
Energy: 1.7183622277197133
Energy: 1.7227827641994098
Energy: 1.5490225917775795
Energy: 1.4657354502748936
Energy: 1.6845763738596733
Energy: 1.4657354502736926
Energy: 1.5802791927537507
Energy: 1.4925073087145533
Energy: 1.4929587121857866
Energy: 1.4925073087157545
Energy: 1.5783832954463755
Energy: 1.5782507035378501
Energy: 1.7785380628727216
Energy: 1.5782507035378501
Energy: 1.7145470015812578
Energy: 1.4924278945009422
Energy: 1.5698577288143212
Energy: 1.4924278945021432
Energy: 1.7063298581766089
Energy: 1.5707997672563898
Energy: 1.5720916967977043
Energy: 1.5707997672551883
Energy: 1.7342632075987914
Energy: 1.536804184072841
Energy: 1.5382423378569339
Energy: 1.536804184072841
Energy: 1.7699078592773445
Energy: 1.538593719726881
Energy: 1.5378181541626743
Energy: 1.5385937197280821
Energy: 1.7690589815130173
Energy: 1.8119404327972621
Energy: 1.5740495882654535
Energy: 1.8119404327948598
Energy: 1.6980880158472387
Energy: 1.6992846604743292
Energy: 1.564431887341511
Energy: 1.6992846604743292
Energy: 1.655949003363613
Energy: 1.656410356689531
Energy: 1.5653333472750464
Energy: 1.656410356690732
Energy: 1.6552229481110938
Energy: 1.61697410328441
Energy: 1.6532012237422193
Energy: 1.6169741032820075
Energy: 1.6554389379999968
Energy: 1.6164627124349564
Energy: 1.5516855584355351
Energy: 1.6164627124349564
Energy: 1.7991331729024636
Energy: 1.6449622103561259
Energy: 1.6444074331469418
Energy: 1.6449622103561259

minimum gb energy = 1.4657354502736926 eV
minimum distance =  2.20232539930555 Angstroms
sigma value = 7


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

Energy: 1.9223026846192215
Energy: 1.5776735523114167
Energy: 1.6452957021612933
Energy: 1.5776735523063208
Energy: 1.4898315402312392
Energy: 1.6341216323096022
Energy: 1.769359675293335
Energy: 1.6341216323062049
Energy: 1.4958071806147184
Energy: 1.49489888991889
Energy: 1.6091765983397524
Energy: 1.4948988899163422
Energy: 1.4953532564033996
Energy: 1.4945633101008984
Energy: 1.7653628954964797
Energy: 1.4945633100991995
Energy: 1.5216565828799598
Energy: 1.5192855387016637
Energy: 1.7237633091940423
Energy: 1.519285538705061
Energy: 1.5218043992015575
Energy: 1.5190592982218931
Energy: 1.7263156010557246
Energy: 1.519059298216797
Energy: 1.7756953297621123
Energy: 1.5197817258300528
Energy: 1.5189697149557726
Energy: 1.5197817258283541
Energy: 1.7767436147146416
Energy: 1.5191920861722341
Energy: 1.5170656208030993
Energy: 1.519192086171385
Energy: 1.7732649311190336
Energy: 1.4928642555690754
Energy: 1.4941361594632696
Energy: 1.4928642555665275
Energy: 1.7280213107274063
Energy: 1.6989982515591606
Energy: 1.5349734220147446
Energy: 1.6989982515583115
Energy: 1.767580472655615
Energy: 1.64413421489538
Energy: 1.5182570676977998
Energy: 1.6441342148936813
Energy: 1.6467595289988899
Energy: 1.6464515896452414
Energy: 1.774442151753431
Energy: 1.6464515896443923
Energy: 1.64771619206234
Energy: 1.6188749433137424
Energy: 1.5336677179970841
Energy: 1.6188749433145915
Energy: 1.6149550864297044
Energy: 1.586547424918854
Energy: 1.493740582249638
Energy: 1.5865474249171554
Energy: 1.6454591206753209
Energy: 1.6176284551712292
Energy: 1.5336717490681526
Energy: 1.6176284551754756
Energy: 1.5436969119473725
Energy: 1.6452300281098833
Energy: 1.6431264937846946
Energy: 1.6452300281115821
Energy: 1.5449794751821484
Energy: 1.64338699870401
Energy: 1.6740310797358393
Energy: 1.6433869987098781
Energy: 1.5358272737702776
Energy: 1.705646261728219
Energy: 1.60981492819502
Energy: 1.7056462617290682
Energy: 1.4915461077779142
Energy: 1.494251894551924
Energy: 1.768956931321127
Energy: 1.4942518945527734
Energy: 1.5185368538365434
Energy: 1.5177647455842325
Energy: 1.553666182204439
Energy: 1.5177647455893282
Energy: 1.5223517337384844
Energy: 1.5196151948065304
Energy: 1.7212311383951278
Energy: 1.5196151948039824
Energy: 1.7757061982779887
Energy: 1.5192070291229876
Energy: 1.5235335853218142
Energy: 1.5192070291255355
Energy: 1.7746989980998154
Energy: 1.519701139724623
Energy: 1.5205457806608835
Energy: 1.5197011397314175
Energy: 1.766364475233585
Energy: 1.4945442531720021
Energy: 1.494721859563092
Energy: 1.4945442531694542
Energy: 1.7263512055290162
Energy: 1.4951882661191613
Energy: 1.4953450957790404
Energy: 1.49518826612086
Energy: 1.7387408959131565
Energy: 1.7052320128911358
Energy: 1.5333088141317126
Energy: 1.705232012889437
Energy: 1.6462994187387832
Energy: 1.642469575747238
Energy: 2.0149758082247855
Energy: 1.6424695757421421
Energy: 1.6446886761072133
Energy: 1.647108205046478
Energy: 1.5333301307678517
Energy: 1.647108205052423
Energy: 1.609698846451081
Energy: 1.588708114376944
Energy: 1.6298328704552978
Energy: 1.5887081143786423
Energy: 1.644750847322386
Energy: 1.6156011789513878
Energy: 1.4979484013877666
Energy: 1.6156011789547853
Energy: 1.5441035579319655
Energy: 1.6444166287078048
Energy: 1.6428964739606933
Energy: 1.6444166287078048

minimum gb energy = 1.4898315402312392 eV
minimum distance =  2.20667734620103 Angstroms
sigma value = 29


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

Energy: 1.3748407165656655
Energy: 1.5568611777106312
Energy: 1.507262453612384
Energy: 1.3769228479819857
Energy: 1.4898614162810422
Energy: 1.611195920407919
Energy: 1.5067105512865107
Energy: 1.611195920407064
Energy: 1.5072381198210507
Energy: 1.5700964116338219
Energy: 1.4348100950773754
Energy: 1.5700964116346767
Energy: 1.4897891491342323
Energy: 1.4125817737987654
Energy: 1.5051302263249202
Energy: 1.4125817737976147
Energy: 1.4502294004716099
Energy: 1.448928997383477
Energy: 1.3810148284840849
Energy: 1.4489289973828852
Energy: 1.5046419008586427
Energy: 1.5716195406256084
Energy: 1.3812429721905368
Energy: 1.5716195406247537
Energy: 1.4341433659618976
Energy: 1.5699950545330166
Energy: 1.5054948245587927
Energy: 1.569995054534167
Energy: 1.5070694794112738
Energy: 1.4475545610752307
Energy: 1.4911523431498774
Energy: 1.4475545610749678
Energy: 1.489100346425029
Energy: 1.4462122783249975
Energy: 1.4474683850568497
Energy: 1.4462122783247016

minimum gb energy = 1.3748407165656655 eV
minimum distance =  2.22900369034933 Angstroms
sigma value = 5


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

Energy: 1.815826165387183
Energy: 1.3869527165025846
Energy: 1.6368951072944407
Energy: 1.374825510432226
Energy: 1.6792946174465189
Energy: 1.3897159826737717
Energy: 1.645495933296114
Energy: 1.3897159826753762
Energy: 1.6088008329230785
Energy: 1.4937237608725717
Energy: 1.5943334894266108
Energy: 1.4937237608725717
Energy: 1.4046246519590186
Energy: 1.3852782859210484
Energy: 1.5909479567397498
Energy: 1.3852782859202462
Energy: 1.6163781547593
Energy: 1.4057529924282237
Energy: 1.5918901876823612
Energy: 1.4057529924274212
Energy: 1.4048489875563968
Energy: 1.4049837065790882
Energy: 1.5930484249901773
Energy: 1.4049837065774835
Energy: 1.3926021886568298
Energy: 1.3851903759602575
Energy: 1.7449855883751455
Energy: 1.385190375958653
Energy: 1.40323061294686
Energy: 1.3894708457895504
Energy: 1.7850448012621256
Energy: 1.389470845791155
Energy: 1.6013801061567057
Energy: 1.3823488171981941
Energy: 1.7773219171803585
Energy: 1.3823488171965896
Energy: 1.6061927935473388
Energy: 1.3825967960542802
Energy: 1.3874059437703763
Energy: 1.3825967960550825
Energy: 1.6863478395987226
Energy: 1.3785304260932647
Energy: 1.3879390200113186
Energy: 1.3785304260924625
Energy: 1.7768821521685139
Energy: 1.3685142353157949
Energy: 1.378681528059205
Energy: 1.3685142353141901
Energy: 1.7782314891509936
Energy: 1.3693207506895522
Energy: 1.747912866640817
Energy: 1.3693207506879475
Energy: 1.6935958734302825
Energy: 1.4512011616148068
Energy: 1.5912366219972796
Energy: 1.4512011616156089
Energy: 1.3877721653999222
Energy: 1.38655807324421
Energy: 1.595567058853974
Energy: 1.386558073246617
Energy: 1.4496414422646573
Energy: 1.3892584781438737
Energy: 1.6960854405000492
Energy: 1.3892584781422692
Energy: 1.3854158617593813
Energy: 1.3871609329431316
Energy: 1.3993636511754022
Energy: 1.387160932941527
Energy: 1.6441110514007953
Energy: 1.4030726980455501
Energy: 1.67849035568968
Energy: 1.4030726980455501
Energy: 1.598471512368349
Energy: 1.4966537584076574
Energy: 1.5760907480202537
Energy: 1.4966537584083868
Energy: 1.598942098315937
Energy: 1.3847192954263368
Energy: 1.4004926918168776
Energy: 1.3847192954263368
Energy: 1.5954887951028487
Energy: 1.404080502696202
Energy: 1.5798153458916508
Energy: 1.4040805026954
Energy: 1.5913207873209763
Energy: 1.4067331335397362
Energy: 1.446810003278776
Energy: 1.4067331335397362
Energy: 1.7487338362658686
Energy: 1.3858348886873693
Energy: 1.385153693595324
Energy: 1.3858348886873693
Energy: 1.7835078989652136
Energy: 1.3884179382327124
Energy: 1.4058448853326262
Energy: 1.3884179382319102
Energy: 1.7769971677874439
Energy: 1.4633997735513773
Energy: 1.6863622785499546
Energy: 1.4633997735521793
Energy: 1.3826922031030664
Energy: 1.3879066860486926
Energy: 1.6062171911603396
Energy: 1.3879066860502973
Energy: 1.3889598180736153
Energy: 1.3875226809385135
Energy: 1.601652960403683
Energy: 1.3875226809409205
Energy: 1.377511500410161
Energy: 1.3808181679848583
Energy: 1.4027451580059793
Energy: 1.3808181679872653
Energy: 1.39059972694242
Energy: 1.370091658892073
Energy: 1.7812192757175422
Energy: 1.370091658892875
Energy: 1.5936807688727628
Energy: 1.4611759830983875
Energy: 1.6956300092100767
Energy: 1.4611759831015967
Energy: 1.5926897487047786
Energy: 1.3877269158999954
Energy: 1.3905704338315332
Energy: 1.3877269159016001
Energy: 1.695154883103779
Energy: 1.3870734672375784
Energy: 1.3903088525188547
Energy: 1.3870734672367764
Energy: 1.402493602564043
Energy: 1.3866227571423555
Energy: 1.3844502367556861
Energy: 1.3866227571423555

minimum gb energy = 1.3685142353141901 eV
minimum distance =  2.1951252341753 Angstroms
sigma value = 1


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

Energy: 1.9198468418212498
Energy: 1.3257495860417756
Energy: 1.3362787733745756
Energy: 1.3257495860451036
Energy: 1.741320934387945
Energy: 1.3333094859837056
Energy: 1.5898783818088154
Energy: 1.3333094859859242
Energy: 1.5893322748104206
Energy: 1.4696106088949765
Energy: 1.60697973035867
Energy: 1.4696106088949765
Energy: 1.3433276981922693
Energy: 1.3288899113504056
Energy: 1.5929013579068958
Energy: 1.3288899113481871
Energy: 1.5694523753206706
Energy: 1.3429530308873148
Energy: 1.5987118547562287
Energy: 1.3429530308839868
Energy: 1.329363054547442
Energy: 1.3429859090070633
Energy: 1.5997035946632372
Energy: 1.342985909009282
Energy: 1.3409097777333534
Energy: 1.3268466720066359
Energy: 1.7650112289913351
Energy: 1.3268466720077452
Energy: 1.3431232084037061
Energy: 1.3301776569299073
Energy: 1.7930086341253673
Energy: 1.330177656932126
Energy: 1.5931995256094376
Energy: 1.441885932590657
Energy: 1.7911683267246352
Energy: 1.4418859325939848
Energy: 1.6022763608268709
Energy: 1.3418390591223452
Energy: 1.3340304920597295
Energy: 1.3418390591267826
Energy: 1.7660272705912605
Energy: 1.3279006774601452
Energy: 1.3291051766070694
Energy: 1.3279006774601452
Energy: 1.8378879615778791
Energy: 1.344265546468307
Energy: 1.3306450809053427
Energy: 1.3442655464705258
Energy: 1.836743537867976
Energy: 1.3293797122183058
Energy: 1.331672944772485
Energy: 1.3293797122238524
Energy: 1.764498818482041
Energy: 1.3288299521142686
Energy: 1.6050930834084964
Energy: 1.3288299521087221
Energy: 1.3424350351023362
Energy: 1.4686799516366356
Energy: 1.6060847874688495
Energy: 1.468679951635526
Energy: 1.3422186261907203
Energy: 1.330531962395823
Energy: 1.7658915757223994
Energy: 1.3305319623980416
Energy: 1.3290973454126234
Energy: 1.3317592271169059
Energy: 1.596538058389264
Energy: 1.331759227113578
Energy: 1.3520015600806956
Energy: 1.342071590007381
Energy: 1.5841161159760426
Energy: 1.342071590007381
Energy: 1.3409740079076373
Energy: 1.332844951297963
Energy: 1.7958010719525463
Energy: 1.3328449512990723
Energy: 1.3442654626146378
Energy: 1.4224224343015903
Energy: 1.8448611626670088
Energy: 1.4224224342982623
Energy: 1.5995613180917199
Energy: 1.421550598009888
Energy: 1.7656079328733563
Energy: 1.421550598009888
Energy: 1.5965932685157846
Energy: 1.3314684916108193
Energy: 1.330912716031498
Energy: 1.3314684916108193
Energy: 1.764969493638994
Energy: 1.328117206163049
Energy: 1.3289716029951957
Energy: 1.328117206163049
Energy: 1.836695481833197
Energy: 1.329536260714193
Energy: 1.3285261925368115
Energy: 1.329536260710865

minimum gb energy = 1.3257495860417756 eV
minimum distance =  2.19876250256359 Angstroms
sigma value = 17


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

Energy: 2.0345101567542696
Energy: 1.310376467662605
Energy: 1.6088473924186502
Energy: 1.303324779229725
Energy: 1.316523751065596
Energy: 1.3076026775795364
Energy: 1.494828485531261
Energy: 1.3076026775795364
Energy: 1.6671159666136979
Energy: 1.3044592812176918
Energy: 1.4861751876965765
Energy: 1.3044592812163207
Energy: 1.6481821343002898
Energy: 1.387238988703822
Energy: 1.5169011687479526
Energy: 1.387238988705193
Energy: 1.6486337771390198
Energy: 1.2933106262519531
Energy: 1.7842176101873972
Energy: 1.2933106262505816
Energy: 1.2943423893405293
Energy: 1.2923598079842824
Energy: 1.7867518738757266
Energy: 1.2923598079835967
Energy: 1.2948664083289991
Energy: 1.2936224161502465
Energy: 1.378632099441413
Energy: 1.293622416152989
Energy: 1.299033187236331
Energy: 1.2955653818757138
Energy: 1.9296220468181635
Energy: 1.2955653818743424
Energy: 1.7389916310958535
Energy: 1.2954268327630236
Energy: 1.6533125457095554
Energy: 1.2954268327637093
Energy: 1.4904422783564057
Energy: 1.3918055957082787
Energy: 1.474369447769664
Energy: 1.3918055957082787
Energy: 1.735288448306286
Energy: 1.3049723527434156
Energy: 1.314119620984276
Energy: 1.3049723527441013
Energy: 1.7829462833342213
Energy: 1.3150328975208656
Energy: 1.5123405418710945
Energy: 1.3150328975208656
Energy: 1.7909677280061564
Energy: 1.3602887961768304
Energy: 1.3063046268415928
Energy: 1.3602887961754593
Energy: 1.625073615417099
Energy: 1.3056752583463869
Energy: 1.3088904940987773
Energy: 1.30567525834433
Energy: 1.6436631778172384
Energy: 1.3081332143680662
Energy: 1.3137473886170479
Energy: 1.308133214368752
Energy: 1.8796422551431926
Energy: 1.306560685496619
Energy: 1.627784119419916
Energy: 1.3065606854973049
Energy: 1.3567068590974984
Energy: 1.5155491477833418
Energy: 1.792924933957075
Energy: 1.5155491477799137
Energy: 1.3041684925522723
Energy: 1.3079961771003252
Energy: 1.7657025308246546
Energy: 1.3079961770982682
Energy: 1.376646159947099
Energy: 1.3110826723998372
Energy: 1.6531533145267712
Energy: 1.3110826723991518
Energy: 1.5141404029064405
Energy: 1.3077241292470732
Energy: 1.9135461135272964
Energy: 1.307724129247759
Energy: 1.487320125162381
Energy: 1.30681943336944
Energy: 1.5199801666429322
Energy: 1.30681943336944
Energy: 1.48457786783901
Energy: 1.3055263029501922
Energy: 1.645898556698824
Energy: 1.305526302948821
Energy: 1.4759777015931013
Energy: 1.3836423253188412
Energy: 1.6449790773465616
Energy: 1.3836423253188412
Energy: 1.7844880106966945
Energy: 1.2952076424514494
Energy: 1.4659131047864986
Energy: 1.2952076424500782
Energy: 1.7653020196011218
Energy: 1.3144423196496842
Energy: 1.2920844872735329
Energy: 1.3144423196489985
Energy: 1.381048430237636
Energy: 1.2938746344113634
Energy: 1.295435697239645
Energy: 1.2938746344113634
Energy: 1.9134505184909179
Energy: 1.2973901937303536
Energy: 1.2943662664118714
Energy: 1.297390193731039
Energy: 1.844025498607819
Energy: 1.2937270255710864
Energy: 1.7400972027775072
Energy: 1.2937270255697153
Energy: 1.4741181888443633
Energy: 1.3871375519188347
Energy: 1.4843255826924477
Energy: 1.3871375519174636
Energy: 1.3160620303531934
Energy: 1.3046461551324895
Energy: 1.7354278718284475
Energy: 1.3046461551345463
Energy: 1.5115822121816442
Energy: 1.3573919949899493
Energy: 1.7850722505215304
Energy: 1.3573919949893258
Energy: 1.362115824941819
Energy: 1.3581953634554906
Energy: 1.7865629612467164
Energy: 1.3581953634527477
Energy: 1.3058852950296733
Energy: 1.3054897163357706
Energy: 1.6274135166832897
Energy: 1.3054897163357706
Energy: 1.3192036853369324
Energy: 1.3090655693212878
Energy: 1.6461049804418846
Energy: 1.309065569319231
Energy: 1.6200135081163856
Energy: 1.3055646563077739
Energy: 1.87810124521425
Energy: 1.3055646563050314
Energy: 1.8507175699214222
Energy: 1.3123763846707108
Energy: 1.3668389504204295
Energy: 1.3123763846700252
Energy: 1.6203288243133473
Energy: 1.3058161444587544
Energy: 1.3153398826316813
Energy: 1.3058161444587544
Energy: 1.6508314762725504
Energy: 1.3347762517629482
Energy: 1.3564910091244977
Energy: 1.3347762517636337

minimum gb energy = 1.2920844872735329 eV
minimum distance =  2.19631413833319 Angstroms
sigma value = 89


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

Energy: 2.1425212307774752
Energy: 1.2583117919608542
Energy: 1.1952690750379695
Energy: 1.2418530448044935
Energy: 1.9356508804264267
Energy: 1.3216674085923605
Energy: 1.568905299594978
Energy: 1.3216674085923605
Energy: 1.1808527226600163
Energy: 1.3226718546078864
Energy: 1.580079330382902
Energy: 1.3226718546078864
Energy: 1.1812573353982814
Energy: 1.3249366882996219
Energy: 1.1940418205356291
Energy: 1.3249366882996219
Energy: 1.1914762607343468
Energy: 1.1926970376404324
Energy: 1.5705993946284869
Energy: 1.1926970376404324
Energy: 1.2546030008836746
Energy: 1.193327390638649
Energy: 1.570366665372997
Energy: 1.193327390638649
Energy: 1.1927787237259448
Energy: 1.1898828800321815
Energy: 1.5682261904172
Energy: 1.1898828800321815
Energy: 1.1942661186077284
Energy: 1.1924533986783439
Energy: 1.935473519761725
Energy: 1.1924533986783439
Energy: 1.5669145164646097
Energy: 1.190446779666429
Energy: 1.9365305575401432
Energy: 1.190446779666429
Energy: 1.5833720393555148
Energy: 1.3251575704215732
Energy: 1.2248902713961674
Energy: 1.3251575704233673
Energy: 1.566449011522703
Energy: 1.325239489430605
Energy: 1.1783777331678322
Energy: 1.3252394894323989
Energy: 1.5709840889610254
Energy: 1.193495556439725
Energy: 1.1941930179623277
Energy: 1.193495556439725
Energy: 1.5718762454877697
Energy: 1.1940657185260908
Energy: 1.1917473323636614
Energy: 1.1940657185260908
Energy: 1.2232714124442383
Energy: 1.189054890837078
Energy: 1.1888114357765063
Energy: 1.189054890837078
Energy: 1.9365257003794134
Energy: 1.1928925365781327
Energy: 1.1934878948056107
Energy: 1.1928925365763388

minimum gb energy = 1.1783777331678322 eV
minimum distance =  2.22390294416473 Angstroms
sigma value = 13


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

Energy: 1.9056997931756183
Energy: 1.1478825424044734
Energy: 1.1305379191535756
Energy: 1.147882542401466
Energy: 1.8106200051552117
Energy: 1.1284685663599012
Energy: 1.3465538144963127
Energy: 1.1284685663583973
Energy: 1.8081498186484388
Energy: 1.1271852212430842
Energy: 1.3221740333284848
Energy: 1.127185221243836
Energy: 1.505290131323432
Energy: 1.132320896502312
Energy: 1.3461430547759285
Energy: 1.1323208964880256
Energy: 1.5586804261779632
Energy: 1.129668159593001
Energy: 1.6604170733689372
Energy: 1.1296681595937528
Energy: 1.3225322200139609
Energy: 1.1288412253496456
Energy: 1.6584421811343337
Energy: 1.1288412253488935
Energy: 1.3218066601228746
Energy: 1.1280690586028663
Energy: 1.6748969842714738
Energy: 1.128069058596851
Energy: 1.3072727187664828
Energy: 1.1314247834554847
Energy: 1.9301426090601503
Energy: 1.131424783453229
Energy: 1.1572346673658407
Energy: 1.131969858116829
Energy: 1.9325911756380245
Energy: 1.1319698581205886
Energy: 1.1256571474755142
Energy: 1.1274847989701553
Energy: 1.9356088539159686
Energy: 1.127484798972411
Energy: 1.1552221376579475
Energy: 1.1380081857302693
Energy: 1.9066103450821668
Energy: 1.1380081857287654
Energy: 1.6418941867269974
Energy: 1.2063202021101145
Energy: 1.6814722979150605
Energy: 1.2063202021086106
Energy: 1.659286961160262
Energy: 1.2044284801890222
Energy: 1.6609902712252884
Energy: 1.2044284801830067
Energy: 1.6491538389913232
Energy: 1.2077959805998677
Energy: 1.5058338558611093
Energy: 1.2077959806013716
Energy: 1.9414176589927896
Energy: 1.1307944424694483
Energy: 1.5337651661989549
Energy: 1.1307944424769674
Energy: 1.9380533073715769
Energy: 1.1287008993371108
Energy: 1.132651334386586
Energy: 1.128700899335607
Energy: 1.6686136763596653
Energy: 1.1278112695969564
Energy: 1.1286284355794896
Energy: 1.127811269599212
Energy: 1.8208195264036735
Energy: 1.1304498933989073
Energy: 1.136661345619744
Energy: 1.1304498934049225
Energy: 2.057268171120285
Energy: 1.1312906244856322
Energy: 1.350522448215958
Energy: 1.1312906244954073
Energy: 1.6824050215750777
Energy: 1.1262916343220355
Energy: 1.3210015209080186
Energy: 1.126291634317524
Energy: 1.505024318541605
Energy: 1.135613535972334
Energy: 1.3463942504908069
Energy: 1.1356135359678226
Energy: 1.68152368513199
Energy: 1.127137806857491
Energy: 1.6584680154044258
Energy: 1.1271378068635063
Energy: 1.3288083256143084
Energy: 1.1305218902239187
Energy: 1.6607577219922158
Energy: 1.1305218902179033
Energy: 1.1317405679265267
Energy: 1.1263086503037951
Energy: 1.67657274181115
Energy: 1.1263086503068027
Energy: 1.339940324877631
Energy: 1.158214822348501
Energy: 1.9407913801916146
Energy: 1.1582148223433057
Energy: 1.1596308176055183
Energy: 1.1570223737702798
Energy: 1.9361247867426996
Energy: 1.1570223737717837
Energy: 1.1273993746638524
Energy: 1.1265136122522685
Energy: 1.6789699636551583
Energy: 1.1265136122417416
Energy: 1.1271716886289043
Energy: 1.1339763701985723
Energy: 1.8195085320746194
Energy: 1.1339763702045875
Energy: 1.6392948934212688
Energy: 1.1278757072021763
Energy: 2.059161814098284
Energy: 1.1278757071976646
Energy: 1.3182342880176103
Energy: 1.2092509163778318
Energy: 1.6611703828629107
Energy: 1.209250916374824
Energy: 1.6451219169580342
Energy: 1.2111356243212383
Energy: 1.5067203048247197
Energy: 1.211135624324246
Energy: 1.9371230166620657
Energy: 1.1304884371037254
Energy: 1.641106085030664
Energy: 1.1304884371074848
Energy: 1.9423291477396416
Energy: 1.1315188474817655
Energy: 1.1597851124685035
Energy: 1.1315188474787576
Energy: 1.7708359369339233
Energy: 1.1266621641804035
Energy: 1.1282617147271805
Energy: 1.1266621641676209
Energy: 2.051967206273427
Energy: 1.1297481765464905
Energy: 1.1338968502487747
Energy: 1.1297481765479942

minimum gb energy = 1.1256571474755142 eV
minimum distance =  2.21442379097906 Angstroms
sigma value = 37


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

Energy: 1.8606300216589482
Energy: 1.1185492116587823
Energy: 1.05362091597794
Energy: 1.118549211660076
Energy: 1.990467207129337
Energy: 1.0547852179399555
Energy: 1.3808865567416324
Energy: 1.0547852179386619
Energy: 1.7552851169644694
Energy: 1.0528583628002812
Energy: 1.365699782956701
Energy: 1.0528583628002812
Energy: 1.7552300718976055
Energy: 1.1934222246590132
Energy: 1.5830628305228998
Energy: 1.1934222246590132
Energy: 1.6788449127033478
Energy: 1.043121434497238
Energy: 1.4983526222159709
Energy: 1.0431214344998254
Energy: 1.3449429452247754
Energy: 1.042388392490479
Energy: 1.7296185711811884
Energy: 1.042388392490479
Energy: 1.1936499394696158
Energy: 1.0427520763710993
Energy: 1.6376798182504075
Energy: 1.0427520763710993
Energy: 1.3100592237566888
Energy: 1.024594504845046
Energy: 1.9727003380493215
Energy: 1.0245945048463396
Energy: 1.1918313978594717
Energy: 1.0459935792403035
Energy: 1.974501470990589
Energy: 1.0459935792377162
Energy: 1.178744855596961
Energy: 1.0214381869151283
Energy: 2.0791076868017018
Energy: 1.0214381869177156
Energy: 1.272565895060096
Energy: 1.2734123696991337
Energy: 1.675295172328753
Energy: 1.2734123696978403
Energy: 1.4852537591490076
Energy: 1.0211716787733793
Energy: 2.0794196751004868
Energy: 1.0211716787720857
Energy: 1.4877134281221522
Energy: 1.0419207100016685
Energy: 1.7549919540667258
Energy: 1.0419207100003747
Energy: 1.6365966990428074
Energy: 1.1567263757410227
Energy: 1.7552310697364142
Energy: 1.1567263757410227
Energy: 1.4983526222159709
Energy: 1.1808024560660941
Energy: 1.637435006549357
Energy: 1.1808024560660941
Energy: 1.7296185711811884
Energy: 1.180711321154938
Energy: 1.361876031854455
Energy: 1.180711321154938
Energy: 1.6791897772164506
Energy: 1.3866654060111219
Energy: 1.1935262831437794
Energy: 1.3866654060111219
Energy: 1.9727003380506152
Energy: 1.0532301741235224
Energy: 1.2665255452551252
Energy: 1.0532301741222287
Energy: 1.9745014709892954
Energy: 1.0530594012470402
Energy: 1.053604309708078
Energy: 1.0530594012483045
Energy: 1.9906773661455301
Energy: 1.0554071815766048
Energy: 1.0716801572396917
Energy: 1.0554071815778985

minimum gb energy = 1.0211716787720857 eV
minimum distance =  2.20760995061425 Angstroms
sigma value = 25


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

Energy: 1.9705153882436837
Energy: 0.9728561827445148
Energy: 0.9202137375577368
Energy: 0.9742251236359343
Energy: 2.158877715404797
Energy: 0.9151561091654233
Energy: 1.1700948095131871
Energy: 0.9151561091664335
Energy: 1.7906464772315296
Energy: 0.9135706500363204
Energy: 1.1682761940404316
Energy: 0.9135706500363204
Energy: 1.4070899431891843
Energy: 0.9178348375253816
Energy: 1.4468591271711986
Energy: 0.9178348375253816
Energy: 1.8083263179387183
Energy: 1.0221926721909655
Energy: 1.6095689409946596
Energy: 1.0221926721899552
Energy: 1.41550429677028
Energy: 1.0213615454234186
Energy: 1.606729869188351
Energy: 1.0213615454234186
Energy: 1.4146817906433624
Energy: 1.0217182091203256
Energy: 1.809009067634472
Energy: 1.0217182091203256
Energy: 1.4469494015711757
Energy: 0.9177501441237798
Energy: 1.6031279035825328
Energy: 0.9177501441237798
Energy: 1.1684812933173807
Energy: 0.9137028332309777
Energy: 1.9795193692338862
Energy: 0.913702833232998
Energy: 1.171283022384889
Energy: 0.9151583179123001
Energy: 1.8113241738253172
Energy: 0.9151583179102797
Energy: 0.9138609854805545
Energy: 0.9133230492032564
Energy: 1.6890832029209184
Energy: 0.9133230492032564
Energy: 0.9196969898062833
Energy: 0.9150222046989394
Energy: 2.625028291039439
Energy: 0.9150222046989394
Energy: 0.9159483552413534
Energy: 0.9184766056891469
Energy: 2.162246781547011
Energy: 0.9184766056871265
Energy: 1.1667852476420488
Energy: 0.9134170605004568
Energy: 1.7882574783758487
Energy: 0.9134170605014671
Energy: 1.167327436102583
Energy: 0.9130209516895533
Energy: 1.8087369108758928
Energy: 0.9130209516895533
Energy: 1.1728975871823357
Energy: 0.91546405506131
Energy: 1.793309781100226
Energy: 0.91546405506131
Energy: 1.6071138306724364
Energy: 0.9155672306240694
Energy: 1.7912691315164724
Energy: 0.9155672306250796
Energy: 1.1601957144353974
Energy: 1.0225725810219863
Energy: 1.6072465062717092
Energy: 1.0225725810209763
Energy: 1.6085315552886181
Energy: 1.0230003054284937
Energy: 1.414432014393525
Energy: 1.0230003054295038
Energy: 1.9785838579521657
Energy: 0.9132139363094076
Energy: 1.414869640187694
Energy: 0.9132139363104179
Energy: 1.6899110628642708
Energy: 0.9190319995907802
Energy: 1.1687924365597837
Energy: 0.9190319995917903
Energy: 1.979554773128951
Energy: 0.912409878901507
Energy: 0.9146738276589361
Energy: 0.912409878901507
Energy: 1.973733455770929
Energy: 0.9180351258512188
Energy: 1.1687836598294745
Energy: 0.9180351258532391
Energy: 1.6053057401178092
Energy: 0.9139084662315274
Energy: 0.9142972576344716
Energy: 0.9139084662315274
Energy: 1.8070111828719726
Energy: 0.9130589376427825
Energy: 0.9143199758908993
Energy: 0.9130589376437925
Energy: 1.7912619285109064
Energy: 0.9171564346424467
Energy: 0.9216814870678113
Energy: 0.9171564346424467

minimum gb energy = 0.912409878901507 eV
minimum distance =  2.22492248786112 Angstroms
sigma value = 41


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

Energy: 1.9188366462263509
Energy: 0.8797489236369317
Energy: 0.830613232040064
Energy: 0.881582595407924
Energy: 2.201396720898681
Energy: 0.8307039776193187
Energy: 1.0439065699325079
Energy: 0.8307039776168341
Energy: 1.8943942747923
Energy: 0.8295898517927143
Energy: 1.0415270315831973
Energy: 0.8295898517943707
Energy: 1.577315715176976
Energy: 0.8363208480944646
Energy: 1.4113944908765619
Energy: 0.8363208480928082
Energy: 1.9078487985789239
Energy: 0.831310794961798
Energy: 1.4136182274564095
Energy: 0.8313107949626264
Energy: 1.5682198038717547
Energy: 0.8309971086262672
Energy: 1.4123780173947191
Energy: 0.8309971086262672
Energy: 1.5735792301306721
Energy: 0.9206044326350219
Energy: 1.7382136937617327
Energy: 0.9206044326350219
Energy: 1.5875653117989998
Energy: 0.9250542425189577
Energy: 1.4056936329847807
Energy: 0.9250542425214422
Energy: 1.2478009639122285
Energy: 0.8283559092408429
Energy: 1.7340608910414173
Energy: 0.8283559092416711
Energy: 1.2508357771541598
Energy: 0.828470806234683
Energy: 2.0505545745720286
Energy: 0.8284708062363394
Energy: 1.0415463417180413
Energy: 0.8387484665851045
Energy: 1.7314150349626911
Energy: 0.8387484665851045
Energy: 1.0396427855188766
Energy: 0.8281675291423607
Energy: 2.0518804410131275
Energy: 0.8281675291423607
Energy: 1.0505274104635574
Energy: 0.8328982479972149
Energy: 2.050891750858599
Energy: 0.8328982479947303
Energy: 0.8288353055928989
Energy: 0.8289598077119155
Energy: 1.7412341288325177
Energy: 0.8289598077127436
Energy: 0.8326407336273473
Energy: 0.8298729072552895
Energy: 1.9067380691479414
Energy: 0.829872907253633
Energy: 0.8378087694514467
Energy: 0.8362263904512512
Energy: 1.8968304324265421
Energy: 0.8362263904512512
Energy: 1.0403668085754114
Energy: 0.8356008263794918
Energy: 1.9021522793778491
Energy: 0.8356008263811482
Energy: 1.031302982341035
Energy: 0.828165490148489
Energy: 1.9050104663541112
Energy: 0.8281654901509735
Energy: 1.0420896240818396
Energy: 0.8339686076898657
Energy: 1.571674387741582
Energy: 0.8339686076890375
Energy: 1.417711455239327
Energy: 0.8310094447735388
Energy: 1.568095318367202
Energy: 0.8310094447718825
Energy: 1.40903061954655
Energy: 0.8322101767963789
Energy: 1.7407811374832745
Energy: 0.8322101767955508
Energy: 1.4190679218862363
Energy: 0.9189177322839867
Energy: 1.5750547555020824
Energy: 0.918917732285643
Energy: 1.7336839685280319
Energy: 0.917039835287894
Energy: 1.5687625440882746
Energy: 0.9170398352895505
Energy: 1.4047691278477576
Energy: 0.9241914143030249
Energy: 1.4201354926166014
Energy: 0.924191414304606
Energy: 1.7395157840621658
Energy: 0.8301743913385424
Energy: 1.2300302104950769
Energy: 0.8301743913360579
Energy: 1.7334570147841981
Energy: 0.830180833161323
Energy: 1.4154989264883373
Energy: 0.830180833161323
Energy: 1.736844589745809
Energy: 0.8331530684930056
Energy: 1.0417760460695618
Energy: 0.8331530684946621
Energy: 1.9045703460749914
Energy: 0.8277596604049504
Energy: 1.033266828362492
Energy: 0.8277596604049504
Energy: 1.7355077670793169
Energy: 0.8398129572850589
Energy: 1.041727138321931
Energy: 0.8398129572858871
Energy: 1.7327665174797724
Energy: 0.8368783585786127
Energy: 0.8291962309047463
Energy: 0.8368783585777846
Energy: 2.054840979427129
Energy: 0.8295020644356139
Energy: 0.8316059170406009
Energy: 0.8295020644356139
Energy: 1.8914655568468903
Energy: 0.8386442438621836
Energy: 0.8299496597264604
Energy: 0.8386442438621836

minimum gb energy = 0.8277596604049504 eV
minimum distance =  2.22963448882823 Angstroms
sigma value = 15


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

Energy: 1.6985211085579242
Energy: 0.8076780995354642
Energy: 0.7646087833877613
Energy: 0.8090564400949135
Energy: 2.1088311147051946
Energy: 0.7670484171339794
Energy: 0.9415648868926111
Energy: 0.767048417134681
Energy: 1.966236072067505
Energy: 0.7647813465919164
Energy: 0.9399658869359308
Energy: 0.7647813465940211
Energy: 1.693483726783606
Energy: 0.7715242740024545
Energy: 1.2615410159396512
Energy: 0.7715242740038577
Energy: 1.9733239610504583
Energy: 0.7622757631154788
Energy: 1.2633752919307746
Energy: 0.7622757631133742
Energy: 1.6833561139799045
Energy: 0.7630109701986657
Energy: 1.2653767163173053
Energy: 0.7630109701993671
Energy: 1.4015029490785569
Energy: 1.0898993963875292
Energy: 1.5497514991873318
Energy: 1.0898993963868278
Energy: 1.6970505214443299
Energy: 1.090181670557339
Energy: 1.253638640697051
Energy: 1.0901816705545329
Energy: 1.3995892694926024
Energy: 1.0892066800783204
Energy: 1.5441766483571948
Energy: 1.0892066800783204
Energy: 1.3995323681475202
Energy: 1.0888717314173841
Energy: 1.8263058803410046
Energy: 1.088871731418086
Energy: 1.2634176516054567
Energy: 1.0919463437696582
Energy: 1.5528742439300531
Energy: 1.0919463437724646
Energy: 1.104640522000056
Energy: 0.7621679527470472
Energy: 1.8272683493992332
Energy: 0.762167952745644
Energy: 1.2668786736658988
Energy: 0.7635089312873049
Energy: 1.8240355582651897
Energy: 0.7635089312873049
Energy: 0.9354547369804341
Energy: 0.7714007808397211
Energy: 1.549465952997851
Energy: 0.7714007808397211
Energy: 0.9352495829245873
Energy: 0.7628794321162969
Energy: 1.9768713411126146
Energy: 0.7628794321162969
Energy: 0.9364427263637488
Energy: 0.7691908226582642
Energy: 1.8265844998553484
Energy: 0.769190822656861
Energy: 0.7630096569223738
Energy: 0.7734438925212954
Energy: 1.830980310465433
Energy: 0.7734438925219971
Energy: 0.762968439260053
Energy: 0.7638492117046182
Energy: 1.9759151565091093
Energy: 0.7638492117039166
Energy: 0.7786935294743776
Energy: 0.7724864951330656
Energy: 1.686200918231087
Energy: 0.7724864951316625
Energy: 0.9507465131969456
Energy: 0.7697668952961249
Energy: 1.9720642726491546
Energy: 0.7697668952940201
Energy: 0.9308136189987399
Energy: 0.7629735486045752
Energy: 1.9773436133647408
Energy: 0.76297354860668
Energy: 0.9329058369738947
Energy: 0.7711856511453576
Energy: 1.690631904504163
Energy: 0.7711856511474623
Energy: 1.2689376480109458
Energy: 0.7637251845224846
Energy: 1.6822205576298639
Energy: 0.7637251845210814
Energy: 1.262453860831078
Energy: 0.7621968508601725
Energy: 1.8307944452885365
Energy: 0.7621968508608742
Energy: 1.2796640979479181
Energy: 0.7657457883458513
Energy: 1.4089404428213064
Energy: 0.7657457883472545
Energy: 1.542135865996169
Energy: 1.088601156529988
Energy: 1.8288471281619774
Energy: 1.0886011565285847
Energy: 1.258816621698319
Energy: 0.8399007069251646
Energy: 1.547556954650615
Energy: 0.8399007069265679
Energy: 1.5588588876618097
Energy: 1.0905433124488042
Energy: 1.4083006578872561
Energy: 1.0905433124481025
Energy: 1.5442845100687825
Energy: 1.0895567334063048
Energy: 1.547946256729874
Energy: 1.0895567334042
Energy: 1.5415536485838846
Energy: 1.0879760438526482
Energy: 1.2671807945882172
Energy: 1.0879760438519466
Energy: 1.8406606965821997
Energy: 0.7621835924852969
Energy: 1.104215610419809
Energy: 0.7621835924810875
Energy: 1.5480058744413896
Energy: 0.7705361950323483
Energy: 1.2825644277068613
Energy: 0.7705361950323483
Energy: 1.8244383163736373
Energy: 0.7642682727933393
Energy: 0.9422475622411598
Energy: 0.7642682727919362
Energy: 1.9757949987117658
Energy: 0.7660339196958929
Energy: 0.9489236986938439
Energy: 0.7660339196965944
Energy: 1.823015363256033
Energy: 0.7798706857812453
Energy: 0.9329214243095977
Energy: 0.7798706857819468
Energy: 2.0968280154670245
Energy: 0.765161234909325
Energy: 0.769824817376952
Energy: 0.765161234909325
Energy: 1.9638163033773437
Energy: 0.7657534811476809
Energy: 0.7720642436472165
Energy: 0.7657534811497857

minimum gb energy = 0.762167952745644 eV
minimum distance =  2.23121767685983 Angstroms
sigma value = 85


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

Energy: 1.7807141886794753
Energy: 0.7738784468806982
Energy: 0.6887464274294588
Energy: 0.7656678307303091
Energy: 2.11942469374078
Energy: 0.691812116561113
Energy: 0.8389216638025828
Energy: 0.691812116561113
Energy: 1.7506634640466971
Energy: 0.6908557953200284
Energy: 0.8386406472493646
Energy: 0.6908557953200284
Energy: 1.4950666380434343
Energy: 0.6898274995331667
Energy: 1.129732315432009
Energy: 0.6898274995325583
Energy: 2.0102966964810935
Energy: 0.6906143698770771
Energy: 1.129264498336047
Energy: 0.6906143698770771
Energy: 1.4973389532544712
Energy: 0.6897274886498774
Energy: 1.134563051178242
Energy: 0.6897274886498774
Energy: 1.502088838784811
Energy: 0.6891991725590997
Energy: 1.3773173357917672
Energy: 0.6891991725615337
Energy: 1.7689982736392584
Energy: 0.6891215512322232
Energy: 1.117976980007789
Energy: 0.6891215512334401
Energy: 1.502437290611734
Energy: 1.26035656318819
Energy: 1.3809721934600299
Energy: 1.26035656318819
Energy: 1.5010787841051032
Energy: 1.2589936069504335
Energy: 1.631330934616637
Energy: 1.2589936069510417
Energy: 1.377273480091473
Energy: 1.0138731562798793
Energy: 1.374550698567993
Energy: 1.0138731562798793
Energy: 1.2520193245991464
Energy: 0.6891679592856793
Energy: 1.6322910933394765
Energy: 0.6891679592850708
Energy: 1.3774399479794985
Energy: 0.6899087773177339
Energy: 1.6264399597585952
Energy: 0.6899087773183424
Energy: 1.1298961353002013
Energy: 0.6893837753085494
Energy: 1.37152981896554
Energy: 0.6893837753085494
Energy: 0.9823103798825038
Energy: 0.6888753275482192
Energy: 1.8829157290342078
Energy: 0.6888753275482192
Energy: 1.130809207135345
Energy: 0.6911097558107933
Energy: 1.6248813668092512
Energy: 0.6911097558101847
Energy: 0.8381160383443957
Energy: 0.6929525943509253
Energy: 1.6237032254126287
Energy: 0.6929525943515337
Energy: 0.836845613232849
Energy: 0.6893141736853807
Energy: 2.0084398241681423
Energy: 0.6893141736859892
Energy: 0.8383487849384962
Energy: 0.6893159407266305
Energy: 1.8738342849425458
Energy: 0.6893159407272389
Energy: 0.6893418398830531
Energy: 0.6895906091051633
Energy: 1.8738768185202077
Energy: 0.6895906091051633
Energy: 0.6903970494022554
Energy: 0.6897666365828443
Energy: 2.009842993008585
Energy: 0.6897666365828443
Energy: 0.6895657390038272
Energy: 0.6892086249394069
Energy: 1.7481982448923168
Energy: 0.6892086249400154
Energy: 0.8479776102175799
Energy: 0.6895445896794675
Energy: 2.0013999009832184
Energy: 0.6895445896788589
Energy: 0.8404267275892249
Energy: 0.6891071087544727
Energy: 2.6449948875495988
Energy: 0.6891071087544727
Energy: 0.8410725837239666
Energy: 0.6890803411468649
Energy: 1.495369374326445
Energy: 0.6890803411456479
Energy: 1.1329173131797685
Energy: 0.689415730045291
Energy: 2.000774053575909
Energy: 0.689415730044074
Energy: 1.1298632411719565
Energy: 0.6893871064846053
Energy: 1.7538868656522377
Energy: 0.6893871064839968
Energy: 1.3773441013545624
Energy: 0.690382717074604
Energy: 1.4978939134932074
Energy: 0.6903827170739953
Energy: 1.3779235515210495
Energy: 0.6889479909284865
Energy: 1.8795616083184248
Energy: 0.6889479909278782
Energy: 1.377088439627117
Energy: 1.2557387878887871
Energy: 1.5008997985094714
Energy: 1.2557387878887871
Energy: 1.6288305556989975
Energy: 1.2574811430627144
Energy: 1.2498161516724882
Energy: 1.2574811430627144
Energy: 1.3742117245116703
Energy: 1.2572860525488292
Energy: 1.6289535924526695
Energy: 1.2572860525476122
Energy: 1.6283835955805996
Energy: 0.6889490529469826
Energy: 1.249599306181343
Energy: 0.6889490529475911
Energy: 1.8792696279154055
Energy: 0.6891584048524612
Energy: 1.2491585782407684
Energy: 0.6891584048524612
Energy: 1.371955366760936
Energy: 0.6899904008710045
Energy: 1.289598711719566
Energy: 0.6899904008710045
Energy: 1.8786268818330485
Energy: 0.6889401012354559
Energy: 1.1222776723771166
Energy: 0.6889401012354559
Energy: 1.8759429854726277
Energy: 0.6894972397122288
Energy: 1.1325507603669498
Energy: 0.6894972397122288
Energy: 1.6237631702321778
Energy: 0.6902149980036554
Energy: 0.8385444783236771
Energy: 0.6902149980036554
Energy: 2.1183205163614383
Energy: 0.688936945283555
Energy: 0.8399225573191554
Energy: 0.6889369452829465
Energy: 1.8760941001330476
Energy: 0.6894764078648589
Energy: 0.8380235488893979
Energy: 0.6894764078648589
Energy: 1.621377340502419
Energy: 0.6890987657853714
Energy: 0.6893869196259202
Energy: 0.6890987657853714
Energy: 2.0093022083758414
Energy: 0.689471975660662
Energy: 0.6898015204829069
Energy: 0.6894719756624874
Energy: 1.748381626510101
Energy: 0.6892037869162382
Energy: 0.6896452174637442
Energy: 0.6892037869162382

minimum gb energy = 0.6887464274294588 eV
minimum distance =  2.22877807382862 Angstroms
sigma value = 113


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

Energy: 0.02037630713132783
Energy: 0.02159143577293816
Energy: 1.6198233656914247
Energy: 0.02159143577158682
Energy: 0.021405407981030126
Energy: 0.16886980662493145
Energy: 1.0623942732088296
Energy: 0.16886980662446366
Energy: 0.021385590576208938
Energy: 0.16641750198812771
Energy: 1.0600588130884998
Energy: 0.16641750198812771
Energy: 0.02297410172326496
Energy: 0.16858160871330716
Energy: 1.060551742505907
Energy: 0.1685816087142427
Energy: 1.0743113856730189
Energy: 0.16882743909594802
Energy: 1.0602832049325894
Energy: 0.16882743909735135
Energy: 0.021041327859770986
Energy: 0.1664851296345124
Energy: 1.0601580843945282
Energy: 0.16648512963633152

minimum gb energy = 0.02037630713132783 eV
minimum distance =  2.45509267961203 Angstroms
sigma value = 1