Model name: model_name=MEAM_LAMMPS_KavousiNovakBaskes_2019_NiTi__MO_050461957184_002
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=3.5213917568326
cohesive_energy=4.450350014971251
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=[2.46424379369004e-19, 3.2431099207764596e-19, 3.8238669070687797e-19, 4.2934809002605197e-19, 4.68817711404642e-19, 5.02724575509984e-19, 5.322430778147999e-19, 5.58159887046384e-19, 5.810293563201e-19, 6.01261642854252e-19, 6.1917237544573795e-19, 6.35011493649462e-19, 6.48982473897942e-19, 6.612487382078459e-19, 6.719496759463319e-19, 6.81202246007682e-19, 6.89110589873106e-19, 6.95759622904206e-19, 7.012278517560479e-19, 7.055809656706259e-19, 7.088798473600319e-19, 7.11180573006456e-19, 7.1252800355565e-19, 7.1296860213e-19, 7.12492755669702e-19, 7.109514617477939e-19, 7.081444482850259e-19, 7.038361953161999e-19, 6.977431175770979e-19, 6.895223492680439e-19, 6.787573244641979e-19, 6.64941755349216e-19, 6.474539973891059e-19, 6.2552981232945e-19, 5.982159050730179e-19, 5.6432346055738195e-19, 5.223480349232159e-19, 4.70376629269524e-19, 4.0594830028648193e-19, 3.2586510341262596e-19, 2.25913314100536e-19, 1.0047233650047659e-19, -5.806480382812079e-20, -2.60190281008332e-19, -5.206417168080059e-19, -8.605915550101259e-19, -1.3112662182113519e-18, -1.9200965434846197e-18, -2.76173595109116e-18, -3.95894641908132e-18, -5.724208612656179e-18, -8.450680656032999e-18, -1.2930478677061378e-17, -2.09550284137494e-17]
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: 0.018089586576134065
Energy: 1.063240707240014
Energy: 1.164718752092721
Energy: 0.019009363351198617
Energy: 1.063240707240014
Energy: 1.2071367595120028
Energy: 1.063240707240014
Energy: 1.2071367595094322
Energy: 1.164718752092721
Energy: 1.063240707240014
Energy: 0.018089586576134065
Energy: 0.13924355005678313
Energy: 0.019009363351198617
Energy: 1.2071367595107174
Energy: 0.13924355005678313
Energy: 1.207136759510093

minimum gb energy = 0.018089586576134065 eV
minimum distance =  2.4217642729614 Angstroms
sigma value = 1


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

Energy: 1.9917992093251806
Energy: 1.2258916933007373
Energy: 1.2718979351046822
Energy: 1.1756856386943295
Energy: 1.2114022133003892
Energy: 1.2847027085143734
Energy: 1.1923746513555145
Energy: 1.2847027085143734
Energy: 1.2725261784321915
Energy: 1.271578981543777
Energy: 1.1990082939495008
Energy: 1.271578981543777
Energy: 1.2540456778252667
Energy: 1.1983672352367656
Energy: 1.1930214472362508
Energy: 1.1983672352351624
Energy: 1.2442507044778517
Energy: 1.258166877402668
Energy: 1.195032761556596
Energy: 1.258166877402668
Energy: 1.2538341897307645
Energy: 1.3133359487408083
Energy: 1.1991158945602554
Energy: 1.3133359487416099
Energy: 1.2438389332696402
Energy: 1.28113132005417
Energy: 1.2439078405706814
Energy: 1.28113132005417
Energy: 1.245128294346
Energy: 1.2439981649664822
Energy: 1.2931026321185288
Energy: 1.2439981649672842
Energy: 1.2617582242646008
Energy: 1.3250915992439953
Energy: 1.2624759704430706
Energy: 1.3250915992447967
Energy: 1.2954965882236624
Energy: 1.3137274964250507
Energy: 1.2637848677607955
Energy: 1.3137274964250507
Energy: 1.258741344887485
Energy: 1.323913168904029
Energy: 1.2627847958033505
Energy: 1.3239131689032273
Energy: 1.2463780988509392
Energy: 1.3391334777994612
Energy: 1.2921564988624439
Energy: 1.3391334777986594
Energy: 1.2474528928430266
Energy: 1.2813493945424521
Energy: 1.212485365164213
Energy: 1.2813493945432541
Energy: 1.2539386969395525
Energy: 1.3418502700789139
Energy: 1.2579048181136558
Energy: 1.3418502700789139
Energy: 1.220291752095292
Energy: 1.2041771051058106
Energy: 1.1997426718818702
Energy: 1.2041771051058106
Energy: 1.2285639311599748
Energy: 1.1980600832688901
Energy: 1.1924623565623487
Energy: 1.1980600832704935
Energy: 1.2707374297177843
Energy: 1.2706727890670484
Energy: 1.1730373296046832
Energy: 1.2706727890678502
Energy: 1.1922772439527316
Energy: 1.2005919606878557
Energy: 1.2118653658234595
Energy: 1.200591960687054
Energy: 1.1987214730651339
Energy: 1.270518623939405
Energy: 1.2698259035789248
Energy: 1.270518623939405
Energy: 1.2543271881742253
Energy: 1.2858624998318684
Energy: 1.2546128713848212
Energy: 1.2858624998318684
Energy: 1.1926040950072307
Energy: 1.2579881469606002
Energy: 1.2437135769391192
Energy: 1.2579881469597987
Energy: 1.1991142801381336
Energy: 1.197849453332963
Energy: 1.2539238596422437
Energy: 1.197849453332963
Energy: 1.2440433602222198
Energy: 1.3357378959460042
Energy: 1.2416470233041528
Energy: 1.3357378959452024
Energy: 1.2932958287510918
Energy: 1.2801886249719827
Energy: 1.2432891836755662
Energy: 1.2801886249719827
Energy: 1.2628040069791273
Energy: 1.3247172338329944
Energy: 1.2618351684942035
Energy: 1.3247172338329944
Energy: 1.265890186801295
Energy: 1.323385356889234
Energy: 1.2974832276636423
Energy: 1.3233853568884322
Energy: 1.26253589045537
Energy: 1.3244065813547798
Energy: 1.2587438265959252
Energy: 1.3244065813547798
Energy: 1.2943209833159366
Energy: 1.3231783189474762
Energy: 1.2439449613718372
Energy: 1.3231783189466746
Energy: 1.212399473931631
Energy: 1.281824095051465
Energy: 1.3237663823134929
Energy: 1.2818240950537974
Energy: 1.2568562587217245
Energy: 1.283096656714787
Energy: 1.2538713042805232
Energy: 1.2830966567163904
Energy: 1.1985133975774156
Energy: 1.2038734425950952
Energy: 1.2199154016418168
Energy: 1.203873442595897
Energy: 1.1926361342993543
Energy: 1.2033713157399992
Energy: 1.228485714966962
Energy: 1.2033713157399992
Energy: 1.172569088438195
Energy: 1.2697177358783507
Energy: 1.2719025103622579
Energy: 1.2697177358791525

minimum gb energy = 1.172569088438195 eV
minimum distance =  2.24085695307983 Angstroms
sigma value = 1


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

Energy: 2.266815982214815
Energy: 1.2171494095865523
Energy: 1.324044994108598
Energy: 1.2171494095865523
Energy: 1.2695864337384306
Energy: 1.335529310363649
Energy: 1.2417066813628872
Energy: 1.3355293103618207
Energy: 1.324208693939019
Energy: 1.3251939464265556
Energy: 1.2501524276245575
Energy: 1.3251939464238134
Energy: 1.3184635962981008
Energy: 1.3969082699395066
Energy: 1.242051400283616
Energy: 1.3969082699395066
Energy: 1.249912803541249
Energy: 1.3136734372855665
Energy: 1.2413336849948304
Energy: 1.3136734372846524
Energy: 1.318350057932185
Energy: 1.3743235495818418
Energy: 1.2506222925128898
Energy: 1.3743235495836696
Energy: 1.305569824059015
Energy: 1.3491625110663834
Energy: 1.3053967694612338
Energy: 1.349162511064555
Energy: 1.3054626376063414
Energy: 1.3056925028537372
Energy: 1.362119512097449
Energy: 1.305692502852823
Energy: 1.3070175257395515
Energy: 1.3919913127420491
Energy: 1.320185170560231
Energy: 1.391991312740221
Energy: 1.3603129715831546
Energy: 1.3937219558306537
Energy: 1.3078680992198257
Energy: 1.3937219558297398
Energy: 1.2792299005969185
Energy: 1.3489221824695583
Energy: 1.3065553504099843
Energy: 1.3489221824677304
Energy: 1.3214773361656653
Energy: 1.3748046076381661
Energy: 1.3184406408308273
Energy: 1.3748046076372522
Energy: 1.2427035060244715
Energy: 1.2546656230670703
Energy: 1.2784576987715688
Energy: 1.2546656230661561
Energy: 1.2415338028118243
Energy: 1.254986086515426
Energy: 1.2833724250698835
Energy: 1.254986086519082
Energy: 1.2130333449945176
Energy: 1.3247779580813277
Energy: 1.3252985675676052
Energy: 1.3247779580840697
Energy: 1.2689050745637782
Energy: 1.25268744475282
Energy: 1.2415276057971796
Energy: 1.2526874447555623
Energy: 1.3251929127465916
Energy: 1.324832613228644
Energy: 1.248919148278286
Energy: 1.3248326132277302
Energy: 1.2438423368556992
Energy: 1.337663974966981
Energy: 1.317953149140782
Energy: 1.337663974966067
Energy: 1.2492670927206617
Energy: 1.3141247093802613
Energy: 1.2429737534028371
Energy: 1.3141247093793471
Energy: 1.318894854956465
Energy: 1.2482281359525718
Energy: 1.2501571007148933
Energy: 1.2482281359525718
Energy: 1.3058039107803918
Energy: 1.4062823799675954
Energy: 1.3058587059630131
Energy: 1.4062823799694235
Energy: 1.3042425623324247
Energy: 1.3491908536825585
Energy: 1.3640299184029183
Energy: 1.3491908536853008
Energy: 1.3071549778439786
Energy: 1.392680158574129
Energy: 1.3199574228490254
Energy: 1.392680158573215
Energy: 1.3616414921113247
Energy: 1.3942118884401025
Energy: 1.3069956490697217
Energy: 1.3942118884419303
Energy: 1.278983406984229
Energy: 1.3493577864135073
Energy: 1.3243943932413278
Energy: 1.3493577864144213
Energy: 1.321692381096452
Energy: 1.3497273453771959
Energy: 1.3190051001262812
Energy: 1.3497273453771959
Energy: 1.2501562065709249
Energy: 1.2548540041242788
Energy: 1.2782184553676141
Energy: 1.2548540041206226
Energy: 1.241616972262693
Energy: 1.2552116505952244
Energy: 1.2832628406322086
Energy: 1.2552116505961386
Energy: 1.2118282462285785
Energy: 1.3248425886515418
Energy: 1.3265550577153653
Energy: 1.324842588652456

minimum gb energy = 1.2118282462285785 eV
minimum distance =  2.2436312953804 Angstroms
sigma value = 25


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

Energy: 2.1248655624577535
Energy: 1.3259153832529873
Energy: 1.3799583934648088
Energy: 1.257453829252542
Energy: 1.3357891751537903
Energy: 1.384909647026679
Energy: 1.2943091612798059
Energy: 1.384909647026679
Energy: 1.3792444783719284
Energy: 1.3794683250206485
Energy: 1.9057559308091183
Energy: 1.3794683250195858
Energy: 1.297072128094615
Energy: 1.4617705083112844
Energy: 1.2944810011109247
Energy: 1.4617705083123471
Energy: 1.303413739747857
Energy: 1.3744699881207614
Energy: 1.2947632092542793
Energy: 1.3744699881218239
Energy: 1.3945605826517926
Energy: 1.3046104066543056
Energy: 1.3039834577071496
Energy: 1.3046104066543056
Energy: 1.3637014374497314
Energy: 1.4287610124261965
Energy: 1.3857001373861102
Energy: 1.428761012427259
Energy: 1.3602255300412318
Energy: 1.4340110488143631
Energy: 1.4360168708125667
Energy: 1.4340110488143631
Energy: 1.3633180555459619
Energy: 1.4283515075429964
Energy: 1.348038519227658
Energy: 1.4283515075429964
Energy: 1.3941518368689911
Energy: 1.4435468170294126
Energy: 1.393116831102771
Energy: 1.4435468170283499
Energy: 1.2493009768855177
Energy: 1.3096620590980772
Energy: 1.2936134471891103
Energy: 1.3096620590991397
Energy: 1.3409537499931083
Energy: 1.308755924589641
Energy: 1.294600656579788
Energy: 1.3087559245907037
Energy: 1.3785823193607771
Energy: 1.3788931368357515
Energy: 1.2503863750659314
Energy: 1.3788931368346888
Energy: 1.2942467421468509
Energy: 1.2971102517302373
Energy: 1.3358182953139144
Energy: 1.2971102517291748
Energy: 1.3038283565154523
Energy: 1.3790988582586108
Energy: 1.3813400920028593
Energy: 1.379098858259673
Energy: 1.3920928008567424
Energy: 1.385527522277736
Energy: 1.2964384269165758
Energy: 1.3855275222787984
Energy: 1.2966638615216395
Energy: 1.3745384134305787
Energy: 1.3035778689965396
Energy: 1.3745384134305787
Energy: 1.2945391215249258
Energy: 1.3090530339282014
Energy: 1.3945400273282913
Energy: 1.3090530339271387
Energy: 1.3855784448245836
Energy: 1.4843972786177573
Energy: 1.3645827371157322
Energy: 1.4843972786166948
Energy: 1.4385089521901684
Energy: 1.4285381331767852
Energy: 1.3630563413662564
Energy: 1.4285381331757228
Energy: 1.3482627976648753
Energy: 1.4280627480129962
Energy: 1.3870806385497239
Energy: 1.4280627480119337
Energy: 1.3493311999111879
Energy: 1.4287115792509197
Energy: 1.4510616165904908
Energy: 1.4287115792509197
Energy: 1.3062243933940767
Energy: 1.3092753927660261
Energy: 1.2480365854362452
Energy: 1.3092753927660261
Energy: 1.2949318354396073
Energy: 1.3099255768570173
Energy: 1.340907822868627
Energy: 1.3099255768559546
Energy: 1.2494279363411047
Energy: 1.29719580981456
Energy: 1.3798923630493838
Energy: 1.29719580981456

minimum gb energy = 1.2480365854362452 eV
minimum distance =  2.18625536849585 Angstroms
sigma value = 9


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

Energy: 1.9164471661376359
Energy: 1.2916127864674611
Energy: 1.4319512491004016
Energy: 1.2916127864661933
Energy: 1.4196761622580827
Energy: 1.4274234811999784
Energy: 1.3525367463531761
Energy: 1.4274234811999784
Energy: 1.431270093643864
Energy: 1.4306976123409814
Energy: 1.352440044505009
Energy: 1.4306976123422488
Energy: 1.354450893361825
Energy: 1.5237626358308183
Energy: 1.352500347591357
Energy: 1.5237626358295506
Energy: 1.386240200325542
Energy: 1.4394549647286987
Energy: 1.3528921748553417
Energy: 1.4394549647299664
Energy: 1.5401146022584682
Energy: 1.3692895393527083
Energy: 1.3614915206163738
Energy: 1.3692895393527083
Energy: 1.419170664296519
Energy: 1.5348869511996401
Energy: 1.387926936633975
Energy: 1.5348869512009078
Energy: 1.3610741488637847
Energy: 1.5110236396065655
Energy: 1.542150606389142
Energy: 1.5110236396052978
Energy: 1.351169415303927
Energy: 1.3694857220312397
Energy: 1.2764855428917963
Energy: 1.3694857220312397
Energy: 1.3524210440494624
Energy: 1.369310544086523
Energy: 1.3977628611170525
Energy: 1.3693105444564984
Energy: 1.2772667687766004
Energy: 1.4301317843668087
Energy: 1.4302936245727604
Energy: 1.430131784368076
Energy: 1.4196527802395835
Energy: 1.3544780749769523
Energy: 1.3523440094853891
Energy: 1.3544780749782197
Energy: 1.4307216514893362
Energy: 1.4304610876613828
Energy: 1.412816968405376
Energy: 1.4304610876601154
Energy: 1.3544581777842535
Energy: 1.4262952649949052
Energy: 1.5378440157096267
Energy: 1.4262952649936376
Energy: 1.3861067961339795
Energy: 1.4395818936158515
Energy: 1.3516946020468925
Energy: 1.4395818936158515
Energy: 1.5399044929211114
Energy: 1.3692146726230785
Energy: 1.3520914594548177
Energy: 1.369214672624346
Energy: 1.42092393998326
Energy: 1.5285748065176357
Energy: 1.3882561581533135
Energy: 1.5285748065176357
Energy: 1.4192559830671527
Energy: 1.5018190254669601
Energy: 1.5391003527959806
Energy: 1.5018190254669601
Energy: 1.3661109622538559
Energy: 1.3691716847197182
Energy: 1.276303620568864
Energy: 1.3691716847209856
Energy: 1.3528026883563598
Energy: 1.3703215152632273
Energy: 1.2762710422199708
Energy: 1.3703215152619597
Energy: 1.27597525189125
Energy: 1.354665113750976
Energy: 1.4312365170400287
Energy: 1.3546651137522434

minimum gb energy = 1.27597525189125 eV
minimum distance =  2.18304373600692 Angstroms
sigma value = 25


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

Energy: 1.6076764486213404
Energy: 1.4110284519428187
Energy: 1.4776869585463765
Energy: 1.3057904876666728
Energy: 1.6550894481783358
Energy: 1.4016335994066051
Energy: 1.4866742764046144
Energy: 1.4016335994066051
Energy: 1.4765857747327142
Energy: 1.4762400711007777
Energy: 2.024336996795767
Energy: 1.4762400711007777
Energy: 1.4735286181747393
Energy: 1.401296801404888
Energy: 1.4864233280753572
Energy: 1.4012968014064557
Energy: 1.4489577242407536
Energy: 1.4711758503835686
Energy: 1.4218039678673147
Energy: 1.4711758503820007
Energy: 1.6708903503296821
Energy: 1.472125318152909
Energy: 1.3316721918145105
Energy: 1.472125318152909
Energy: 1.5452628688126557
Energy: 1.469907034334247
Energy: 1.4199734029964444
Energy: 1.469907034334247
Energy: 1.4369471380718564
Energy: 1.5075706184801283
Energy: 1.4866775890210135
Energy: 1.5075706184801283
Energy: 1.475156942006702
Energy: 1.4757073439663093
Energy: 1.6549746959763967
Energy: 1.4757073439663093
Energy: 1.4869147395296833
Energy: 1.2969271531515427
Energy: 1.6551082010937357
Energy: 1.2969271531515427
Energy: 1.625320074707021
Energy: 1.476162817929469
Energy: 1.4765996251603764
Energy: 1.4761628179279018
Energy: 1.4713419184951961
Energy: 1.2980654705525834
Energy: 1.4749590350734447
Energy: 1.2980654705525834
Energy: 1.4220388493602134
Energy: 1.47204086606131
Energy: 1.4476129608320563
Energy: 1.4720408660628779
Energy: 1.4220473313118938
Energy: 1.4713865605322631
Energy: 1.673766103861186
Energy: 1.4713865605322631
Energy: 1.4486873184631477
Energy: 1.4698608762630463
Energy: 1.542742600550294
Energy: 1.4698608762630463
Energy: 1.4868925130585933
Energy: 1.4717411793600637
Energy: 1.5421859914975298
Energy: 1.4717411793600637
Energy: 1.655059415460761
Energy: 1.4229039810430375
Energy: 1.524416653655924
Energy: 1.4229039810430375

minimum gb energy = 1.2969271531515427 eV
minimum distance =  2.1817451769324 Angstroms
sigma value = 17


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

Energy: 2.3139560706380378
Energy: 1.568699272169642
Energy: 1.6147164804158656
Energy: 1.5124775632956076
Energy: 1.5466434473673345
Energy: 1.5543654022332565
Energy: 1.6842397809280751
Energy: 1.5543654022332565
Energy: 1.4158074457250673
Energy: 1.4142622770545927
Energy: 1.6357189800583753
Energy: 1.4142622770537046
Energy: 1.4210515715452279
Energy: 1.574632425726759
Energy: 1.4090774897919345
Energy: 1.5746324257276467
Energy: 1.6058407006689133
Energy: 1.5442810582824102
Energy: 1.4707514611986665
Energy: 1.5442810582815225
Energy: 1.5350412951941794
Energy: 1.5468876172389587
Energy: 1.5349661716000065
Energy: 1.5468876172389587
Energy: 1.738966110330187
Energy: 1.4134643323532947
Energy: 1.415293402419747
Energy: 1.4134643323524068
Energy: 1.511598395009863
Energy: 1.4097017117310602
Energy: 1.4139298981232933
Energy: 1.4097017117301722
Energy: 1.6153340851909541
Energy: 1.616017059975364
Energy: 1.6313962890728244
Energy: 1.616017059975364
Energy: 1.6713607230208847
Energy: 1.5018769100183882
Energy: 1.5335314892353387
Energy: 1.5018769100183882
Energy: 1.604802629493328
Energy: 1.4100473259922979
Energy: 1.397231162667696
Energy: 1.4100473259985125
Energy: 1.504817341284745
Energy: 1.4106954498563615
Energy: 1.3943937387286671
Energy: 1.4106954498563615
Energy: 1.5494543018213043
Energy: 1.4111575206138183
Energy: 1.4055579402530736
Energy: 1.411157520614706
Energy: 1.7380879323911507
Energy: 1.409761754025472
Energy: 1.3958509306598321
Energy: 1.40976175402636
Energy: 1.6527375691761736
Energy: 1.5018252001371797
Energy: 1.5212613296334632
Energy: 1.5018252001380672
Energy: 1.614891088826386
Energy: 1.6467986215646813
Energy: 1.5228631665034262
Energy: 1.6467986215646813
Energy: 1.5424379507645511
Energy: 1.4138382038432178
Energy: 1.4154240578240145
Energy: 1.4138382038441057
Energy: 1.5457791973666068
Energy: 1.4094153238966745
Energy: 1.4187730481622995
Energy: 1.4094153238975622
Energy: 1.507031664637233
Energy: 1.5440373366185454
Energy: 1.6056265608003875
Energy: 1.5440373366194333
Energy: 1.4905773830585816
Energy: 1.547643267429207
Energy: 1.5334951157825694
Energy: 1.5476432674283191
Energy: 1.4201928054075033
Energy: 1.409738550701207
Energy: 1.6482979408480147
Energy: 1.409738550701207
Energy: 1.4136598190509082
Energy: 1.4241021048379428
Energy: 1.5053397020438581
Energy: 1.424102104837055
Energy: 1.5327019443684784
Energy: 1.5018785525130922
Energy: 1.6627757063623176
Energy: 1.5018785525130922
Energy: 1.632219722940399
Energy: 1.6156257555232467
Energy: 1.6136881689432179
Energy: 1.615625755522359
Energy: 1.4603107754848865
Energy: 1.5544835255537517
Energy: 1.508405775419543
Energy: 1.5544835255519762
Energy: 1.395392849137192
Energy: 1.4106988928500594
Energy: 1.60674742844826
Energy: 1.4106988928491717
Energy: 1.4084126001137194
Energy: 1.4844447914831618
Energy: 1.502551206853101
Energy: 1.4844447914787229
Energy: 1.3966523824714305
Energy: 1.4116580088020882
Energy: 1.554211964213642
Energy: 1.4116580088012003
Energy: 1.5200083068271502
Energy: 1.5548375167903334
Energy: 1.5500514763926485
Energy: 1.5548375167903334
Energy: 1.5292202356987685
Energy: 1.6148188144038629
Energy: 1.6166155569064504
Energy: 1.614818814402975

minimum gb energy = 1.3943937387286671 eV
minimum distance =  2.2292491696194 Angstroms
sigma value = 53


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

Energy: 2.0307971578883426
Energy: 1.2505657711622329
Energy: 1.47218463643905
Energy: 1.2505657711622329
Energy: 1.8322527930040364
Energy: 1.3205192075419134
Energy: 1.5378047139353392
Energy: 1.3205192075419134
Energy: 1.4716405154590495
Energy: 1.4710937227159384
Energy: 1.6253221200173091
Energy: 1.4710937227159384
Energy: 1.5323954074493595
Energy: 1.3211566699247914
Energy: 1.5539587476056322
Energy: 1.3211566699268353
Energy: 1.559111452737847
Energy: 1.3207555419160464
Energy: 1.2212988323640932
Energy: 1.3207555419160464
Energy: 1.523225736717569
Energy: 1.3241495150198652
Energy: 1.2215422144037336
Energy: 1.3241495150198652
Energy: 1.8367185489449511
Energy: 1.509671327942385
Energy: 1.5111659164613098
Energy: 1.509671327942385
Energy: 1.835321203858272
Energy: 1.533078590427037
Energy: 1.5376598746309444
Energy: 1.5330785904229494
Energy: 1.4706450222470153
Energy: 1.470930231225951
Energy: 1.5547774781161199
Energy: 1.470930231223907
Energy: 1.5091904432895844
Energy: 1.321848189731891
Energy: 1.5544095280183121
Energy: 1.321848189731891
Energy: 1.5592856573335308
Energy: 1.321778731755363
Energy: 1.2215254606704253
Energy: 1.321778731755363
Energy: 1.5270175369173775
Energy: 1.3204486721201243
Energy: 1.2216184561364374
Energy: 1.3204486721201243
Energy: 1.836731413921731
Energy: 1.531500561703102
Energy: 1.5075792413135838
Energy: 1.531500561703102

minimum gb energy = 1.2212988323640932 eV
minimum distance =  2.22563099860788 Angstroms
sigma value = 9


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

Energy: 2.083990045793072
Energy: 1.6371073972851358
Energy: 1.68268290985533
Energy: 1.6371073972836228
Energy: 1.5721826685933997
Energy: 1.3682700570505648
Energy: 1.86351360236617
Energy: 1.3682700570535904
Energy: 1.3691566365323788
Energy: 1.3689913970515086
Energy: 1.8125831072255856
Energy: 1.3689913970522651
Energy: 1.3682501982610102
Energy: 1.3712541975623798
Energy: 1.874777679917251
Energy: 1.3712541975623798
Energy: 1.3727999000332232
Energy: 1.3685524085829122
Energy: 1.8835066458581695
Energy: 1.3685524085829122
Energy: 1.447896769362228
Energy: 1.3681806712643807
Energy: 1.8781664100052358
Energy: 1.3681806712666502
Energy: 1.8914125579786538
Energy: 1.6928321511672308
Energy: 1.6834879993705116
Energy: 1.6928321511679874
Energy: 1.8896907346975393
Energy: 1.7277284743005588
Energy: 1.7016488388426168
Energy: 1.7277284742998025
Energy: 1.5098558109784008
Energy: 1.542085164259127
Energy: 1.548156976501277
Energy: 1.5420851642598832
Energy: 1.4210505459716924
Energy: 1.5377630821973267
Energy: 1.737588610756795
Energy: 1.5377630821995965
Energy: 1.481098210133305
Energy: 1.4956549341478658
Energy: 1.7033968348426292
Energy: 1.4956549341471095
Energy: 1.4895925006231487
Energy: 1.4936471667035092
Energy: 1.8785072216962626
Energy: 1.4936471667004834
Energy: 1.86754354250237
Energy: 1.5182576663836593
Energy: 1.738710477094338
Energy: 1.5182576663829028
Energy: 1.880178732811192
Energy: 1.5099559200397925
Energy: 1.536043165461253
Energy: 1.5099559200413055
Energy: 1.6949710859592575
Energy: 1.5729260392805948
Energy: 1.5547054253593795
Energy: 1.5729260392911852
Energy: 1.6800474769875045
Energy: 1.6295311536913197
Energy: 1.5704328004321906
Energy: 1.6295311536913197
Energy: 1.6554096648935868
Energy: 1.5748046059265275
Energy: 1.6348025605226915
Energy: 1.574804605923502
Energy: 1.5950972940403711
Energy: 1.5958850679027419
Energy: 1.9555944026505514
Energy: 1.5958850679004726
Energy: 1.808545400329043
Energy: 1.5686214769652636
Energy: 1.6125095155337352
Energy: 1.5686214769629945
Energy: 1.8747779167975287
Energy: 1.442056570594675
Energy: 1.4843351092011101
Energy: 1.4420565705954316
Energy: 1.8209232994233282
Energy: 1.4437537860191219
Energy: 1.439143603353374
Energy: 1.443753786017609
Energy: 1.882219443202645
Energy: 1.4024607358598158
Energy: 1.403741880491985
Energy: 1.4024607358635983
Energy: 1.8831621461163914
Energy: 1.4030366990189145
Energy: 1.4649885534723899
Energy: 1.4030366990204277
Energy: 1.6806662607421643
Energy: 1.7130221358512234
Energy: 1.8895191303988355
Energy: 1.7130221358504671
Energy: 1.709086834142965
Energy: 1.7201389944829135
Energy: 1.8916513012697942
Energy: 1.720138994482157
Energy: 1.5484611449341505
Energy: 1.5623799348302883
Energy: 1.5081030405630311
Energy: 1.5623799348310445
Energy: 1.7434348091660976
Energy: 1.5190119822583321
Energy: 1.4201081728075142
Energy: 1.5190119822575756
Energy: 1.722056863215056
Energy: 1.5646179161419156
Energy: 1.4767939761438222
Energy: 1.5646179161434284
Energy: 1.8769418347148148
Energy: 1.4958663989915872
Energy: 1.4922873231008722
Energy: 1.4958663989908307
Energy: 1.761823452215379
Energy: 1.4790075123794535
Energy: 1.8674714787998417
Energy: 1.4790075123809665
Energy: 1.50591231855662
Energy: 1.477055326279113
Energy: 1.8073907908534235
Energy: 1.4770553262813824
Energy: 1.4968370785381149
Energy: 1.5034169173901863
Energy: 1.7436303552629593
Energy: 1.50341691738943
Energy: 1.4947772549982283
Energy: 1.5837031385113534
Energy: 1.6785584895133143
Energy: 1.5837031385143792
Energy: 1.5115502375154772
Energy: 1.5669343502362902
Energy: 1.6535955781905978
Energy: 1.5669343502362902
Energy: 1.8751554081775237
Energy: 1.6826925681773695
Energy: 1.6818316307236572
Energy: 1.6826925681788822

minimum gb energy = 1.3681806712643807 eV
minimum distance =  2.21539507001096 Angstroms
sigma value = 73


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

Energy: 1.8385670419376041
Energy: 1.5276082687869224
Energy: 1.6056978759433032
Energy: 1.4363213772647905
Energy: 1.3949974959424902
Energy: 1.3777644790133132
Energy: 1.6632746315644569
Energy: 1.3777644790133132
Energy: 1.3795145168505607
Energy: 1.3787985254195483
Energy: 1.572863696216228
Energy: 1.3787985254195483
Energy: 1.377328662377724
Energy: 1.3827604029757317
Energy: 1.795909927121528
Energy: 1.3827604029757317
Energy: 1.3782986861262632
Energy: 1.3776019837121691
Energy: 1.787089135146487
Energy: 1.3776019837121691
Energy: 1.4471094492383874
Energy: 1.3775935298435844
Energy: 1.7873384036761295
Energy: 1.3775935298447848
Energy: 1.6814102480583188
Energy: 1.594674571453198
Energy: 1.6053840386345537
Energy: 1.594674571453198
Energy: 1.6800407010046567
Energy: 1.5992866001082044
Energy: 1.5968204887816548
Energy: 1.5992866001082044
Energy: 1.590366799668633
Energy: 1.470910147476347
Energy: 1.5768864852110545
Energy: 1.4709101474751471
Energy: 1.3549523788757927
Energy: 1.4705922837441776
Energy: 1.5956470437096941
Energy: 1.4705922837441776
Energy: 1.5957662732683813
Energy: 1.6010288651682614
Energy: 1.3935763715006761
Energy: 1.6010288651682614
Energy: 1.6058824402679512
Energy: 1.5732287085351544
Energy: 1.7807521968692754
Energy: 1.5732287085363545
Energy: 1.5953444960207241
Energy: 1.3777841717044286
Energy: 1.4468294588024366
Energy: 1.3777841717032284
Energy: 1.5726154462760635
Energy: 1.3779001610141814
Energy: 1.3771606568259924
Energy: 1.3779001610141814
Energy: 1.79360682841408
Energy: 1.3838592064948898
Energy: 1.3786079537716505
Energy: 1.3838592064948898
Energy: 1.7892121092288373
Energy: 1.3785373172946067
Energy: 1.3782929456885735
Energy: 1.3785373172946067
Energy: 1.7739416647459785
Energy: 1.3772779964552957
Energy: 1.4471086421971848
Energy: 1.377277996456496
Energy: 1.6060234290087665
Energy: 1.57458171750979
Energy: 1.6817066893001964
Energy: 1.5745817175109902
Energy: 1.5842326111335139
Energy: 1.4841088265593718
Energy: 1.6690131659603251
Energy: 1.4841088265593718
Energy: 1.6018555422090281
Energy: 1.4712537899593445
Energy: 1.59209283669136
Energy: 1.4712537899593445
Energy: 1.5934340272638097
Energy: 1.4709163875719964
Energy: 1.3557475362530436
Energy: 1.4709163875719964
Energy: 1.7805766272094774
Energy: 1.5857320318227157
Energy: 1.5981298262653427
Energy: 1.5857320318215153

minimum gb energy = 1.3549523788757927 eV
minimum distance =  2.23292996307521 Angstroms
sigma value = 7


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

Energy: 2.3296393269775275
Energy: 1.5385859638730979
Energy: 1.6462456354909683
Energy: 1.5385859638714006
Energy: 1.3930952186688954
Energy: 1.4806943224673712
Energy: 1.785669865528272
Energy: 1.4806943224673712
Energy: 1.3965941290160755
Energy: 1.3953505423520631
Energy: 1.5539810305599537
Energy: 1.3953505423520631
Energy: 1.3953519619220622
Energy: 1.3960225705479383
Energy: 1.7448592848691789
Energy: 1.3960225705496356
Energy: 1.4353944811039516
Energy: 1.43296602781809
Energy: 1.708221771337599
Energy: 1.432966027818939
Energy: 1.4661323454436617
Energy: 1.4330291439601097
Energy: 1.7101888642873924
Energy: 1.433029143959261
Energy: 1.8123129430802554
Energy: 1.4832444958386282
Energy: 1.4795377251089918
Energy: 1.4832444958394766
Energy: 1.8172288163778823
Energy: 1.433335457296107
Energy: 1.4312394499208638
Energy: 1.4333354572944095
Energy: 1.7736010447534063
Energy: 1.3940051108918081
Energy: 1.3948212836223164
Energy: 1.3940051108884133
Energy: 1.729136112546764
Energy: 1.3973707422312855
Energy: 1.3952009945730617
Energy: 1.3973707422329826
Energy: 1.7746264996947194
Energy: 1.5999867299356652
Energy: 1.4800169130174916
Energy: 1.5999867299382111
Energy: 1.6309136906633706
Energy: 1.625648169162117
Energy: 1.8120658393820528
Energy: 1.625648169162117
Energy: 1.6079149625212021
Energy: 1.4778843534505075
Energy: 1.6116777093883643
Energy: 1.4778843534522048
Energy: 1.5606345014494412
Energy: 1.4759803683907147
Energy: 1.393547130240833
Energy: 1.4759803683915633
Energy: 1.6079202832169166
Energy: 1.477657206359599
Energy: 1.3973727348278244
Energy: 1.477657206357053
Energy: 1.859524254115951
Energy: 1.610594214433553
Energy: 1.6311740681960223
Energy: 1.6105942144318555
Energy: 1.897112336726796
Energy: 1.6003221014055764
Energy: 1.7983261982333005
Energy: 1.6003221014030304
Energy: 1.4512817656182142
Energy: 1.3950550267139659
Energy: 1.5662785732435376
Energy: 1.395055026713117
Energy: 1.393357845862659
Energy: 1.394860042318331
Energy: 1.814217518068413
Energy: 1.3948600423200284
Energy: 1.4324210189918982
Energy: 1.4327267441567877
Energy: 1.864090234666018
Energy: 1.4327267441576363
Energy: 1.4320249996779866
Energy: 1.4334106104730988
Energy: 1.707286552070082
Energy: 1.433410610474796
Energy: 1.8212974446196573
Energy: 1.4330194428491603
Energy: 1.4622693852758395
Energy: 1.4330194428483116
Energy: 1.8111700634932815
Energy: 1.4332649289191595
Energy: 1.4354500252827165
Energy: 1.4332649289200081
Energy: 1.752084995734521
Energy: 1.3957512224661446
Energy: 1.3940363257508666
Energy: 1.3957512224635986
Energy: 1.7131986145381275
Energy: 1.3958031164246874
Energy: 1.3951040238486945
Energy: 1.3958031164246874
Energy: 1.7404590917695135
Energy: 1.4809522119821024
Energy: 1.4333167865645773
Energy: 1.480952211977859
Energy: 1.6429570863485268
Energy: 1.6337358695231683
Energy: 2.031786233303856
Energy: 1.6337358695231683
Energy: 1.6087866767507295
Energy: 1.513009774896927
Energy: 1.6099947124317073
Energy: 1.513009774898624
Energy: 1.5564738391844934
Energy: 1.4777357258182484
Energy: 1.5745199573421884
Energy: 1.4777357258157024
Energy: 1.6060551982849134
Energy: 1.570920426268678
Energy: 1.3942002204168515
Energy: 1.570920426268678
Energy: 1.8896707291074777
Energy: 1.6089996772076753
Energy: 1.6263808010109524
Energy: 1.6089996772093724

minimum gb energy = 1.3930952186688954 eV
minimum distance =  2.22489353731321 Angstroms
sigma value = 29


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

Energy: 1.274507636084817
Energy: 1.502128464093705
Energy: 1.4279242792886297
Energy: 1.2749295450988083
Energy: 1.382776894947443
Energy: 1.4293466681817455
Energy: 1.4306104997079907
Energy: 1.4293466681823366
Energy: 1.499370044882424
Energy: 1.3812595936145338
Energy: 1.370089197905305
Energy: 1.3812595936148298
Energy: 1.3829409141734348
Energy: 1.299098707127758
Energy: 1.4779096413728177
Energy: 1.299098707127758
Energy: 1.3795268272352854
Energy: 1.382421927047957
Energy: 1.275598729174063
Energy: 1.3824219270482527
Energy: 1.477823389192568
Energy: 1.4889722001209724
Energy: 1.2755389346855093
Energy: 1.4889722001206769
Energy: 1.284618759931881
Energy: 1.4909944341105719
Energy: 1.5004755544587296
Energy: 1.4909944341105719
Energy: 1.4302035944275107
Energy: 1.4903867188648696
Energy: 1.4629234539796208
Energy: 1.490386718864574
Energy: 1.3826210584657048
Energy: 1.3001176402560932
Energy: 1.3752704278511603
Energy: 1.3001176402560932

minimum gb energy = 1.274507636084817 eV
minimum distance =  2.23119359455316 Angstroms
sigma value = 5


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

Energy: 1.7451053518466286
Energy: 1.3315239374077923
Energy: 1.5573945119793249
Energy: 1.3177169355179796
Energy: 1.5556742595186057
Energy: 1.3343910188435701
Energy: 1.5983363231395535
Energy: 1.3343910188435701
Energy: 1.531909656523305
Energy: 1.4370673782574708
Energy: 1.5217795011533501
Energy: 1.4370673782574708
Energy: 1.3572488276969126
Energy: 1.3322216450230924
Energy: 1.6471483347169191
Energy: 1.3322216450151485
Energy: 1.5433265974424855
Energy: 1.4111465705677182
Energy: 1.7876613317678887
Energy: 1.4111465705677182
Energy: 1.4336694802749208
Energy: 1.3516704155470844
Energy: 1.7875577446511024
Energy: 1.3516704155462829
Energy: 1.333495315645255
Energy: 1.3323038483762109
Energy: 1.6453259192534628
Energy: 1.3323038483770124
Energy: 1.357916730940632
Energy: 1.335384550205704
Energy: 1.6817972804724113
Energy: 1.335384550205704
Energy: 1.581244846963942
Energy: 1.313576779936286
Energy: 1.679686272683435
Energy: 1.3135767799370877
Energy: 1.5497148207922455
Energy: 1.312625212508379
Energy: 1.3366835789042788
Energy: 1.3126252125075775
Energy: 1.5771424094489197
Energy: 1.3108703518544647
Energy: 1.343457067753879
Energy: 1.3108703518544647
Energy: 1.6719254918365203
Energy: 1.332952006216238
Energy: 1.3278125443453264
Energy: 1.3329520062154365
Energy: 1.6776897652353133
Energy: 1.3113711141652884
Energy: 1.5617578084639252
Energy: 1.311371114163685
Energy: 1.551579558753865
Energy: 1.382417175274932
Energy: 1.5198471302147623
Energy: 1.382417175274932
Energy: 1.3356292758001258
Energy: 1.3346250143949703
Energy: 1.5205917231103354
Energy: 1.3346250143941685
Energy: 1.430596057589844
Energy: 1.3346638972769083
Energy: 1.6185358701320818
Energy: 1.3346638972761067
Energy: 1.555294851931019
Energy: 1.3330591998923613
Energy: 1.6169249904207852
Energy: 1.3330591998907582
Energy: 1.6007986559660106
Energy: 1.3348172441042367
Energy: 1.5565442992556828
Energy: 1.3348172441042367
Energy: 1.5324498125554082
Energy: 1.43894845712571
Energy: 1.5354541477191364
Energy: 1.4389484571265116
Energy: 1.6446755027793567
Energy: 1.3324177326881763
Energy: 1.3532015737932745
Energy: 1.3324177326873747
Energy: 1.7861394605375331
Energy: 1.3588625668113379
Energy: 1.5723453762130513
Energy: 1.3588625668113379
Energy: 1.7919053430667804
Energy: 1.3984811494152998
Energy: 1.4390623388190251
Energy: 1.3984811494152998
Energy: 1.6216089163433223
Energy: 1.3331384577813692
Energy: 1.336421782960086
Energy: 1.3331384577813692
Energy: 1.6799692688652434
Energy: 1.3345604344540407
Energy: 1.3614262527540497
Energy: 1.3345604344540407
Energy: 1.6813043596650237
Energy: 1.3925172609710579
Energy: 1.5772374535243747
Energy: 1.3925172609742646
Energy: 1.4841613514303604
Energy: 1.3129180009164167
Energy: 1.5301797979836824
Energy: 1.3129180009172186
Energy: 1.3450881604347429
Energy: 1.3112562282008435
Energy: 1.5811008103366713
Energy: 1.3112562282008435
Energy: 1.3421352984542076
Energy: 1.3126535782009625
Energy: 1.6163699672617742
Energy: 1.3126535782009625
Energy: 1.4417526463986317
Energy: 1.3116575011104659
Energy: 1.7040783796074566
Energy: 1.3116575011096643
Energy: 1.5197036815120217
Energy: 1.394143764546953
Energy: 1.5517823204332992
Energy: 1.3941437645461516
Energy: 1.5176916986546645
Energy: 1.335175234602165
Energy: 1.339381102080337
Energy: 1.335175234602165
Energy: 1.65234114312178
Energy: 1.3347831468816362
Energy: 1.3387411998290888
Energy: 1.3347831468816362
Energy: 1.618507837258644
Energy: 1.3332760837876454
Energy: 1.5555577474315585
Energy: 1.333276083786844

minimum gb energy = 1.3108703518544647 eV
minimum distance =  2.19174204220882 Angstroms
sigma value = 1


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

Energy: 1.854162390967522
Energy: 1.278221828394718
Energy: 1.5422633386094116
Energy: 1.278221828392501
Energy: 1.6072211703873003
Energy: 1.2845163374023516
Energy: 1.4905420770596884
Energy: 1.28451633740346
Energy: 1.5250345029704577
Energy: 1.4178273982656429
Energy: 1.5212215719771538
Energy: 1.4178273982656429
Energy: 1.3081377687087767
Energy: 1.2820121042066535
Energy: 1.668735226712126
Energy: 1.2820121042055448
Energy: 1.4665863662177865
Energy: 1.3480205451048393
Energy: 1.6656612371745925
Energy: 1.3480205451048393
Energy: 1.2823367186115011
Energy: 1.29738610508847
Energy: 1.6685442872745342
Energy: 1.2973861050895785
Energy: 1.2805205234246897
Energy: 1.2811421954700777
Energy: 1.667534018015641
Energy: 1.2811421954700777
Energy: 1.2843908110860518
Energy: 1.285758509378454
Energy: 1.7138091215626416
Energy: 1.285758509378454
Energy: 1.62185963220405
Energy: 1.3671857180899496
Energy: 1.6760526553557495
Energy: 1.3671857180921665
Energy: 1.5467470186743975
Energy: 1.2857469342396002
Energy: 1.285881433854607
Energy: 1.2857469342384915
Energy: 1.6241208333937924
Energy: 1.2822568973981494
Energy: 1.2807086308309317
Energy: 1.2822568973981494
Energy: 1.7128649073249682
Energy: 1.2841800414051303
Energy: 1.2835275609253403
Energy: 1.2841800414051303
Energy: 1.7842111307277975
Energy: 1.283286028668451
Energy: 1.2962061241216127
Energy: 1.283286028668451
Energy: 1.6199388811166744
Energy: 1.2825641278423439
Energy: 1.520570549195887
Energy: 1.2825641278412352
Energy: 1.3040077772296401
Energy: 1.4162722997268158
Energy: 1.5251002944932828
Energy: 1.4162722997257071
Energy: 1.3033235988298657
Energy: 1.283300848711225
Energy: 1.6688984487923182
Energy: 1.283300848711225
Energy: 1.541791657381664
Energy: 1.284437650648336
Energy: 1.7114863709025887
Energy: 1.2844376506472275
Energy: 1.31932667604798
Energy: 1.286596636634769
Energy: 1.666240559584913
Energy: 1.286596636634769
Energy: 1.3064949441512212
Energy: 1.2834089045307282
Energy: 1.6757828440358773
Energy: 1.2834089045307282
Energy: 1.2852985844142975
Energy: 1.3545935427766354
Energy: 1.7901165986375092
Energy: 1.3545935427766354
Energy: 1.5183619980958916
Energy: 1.3693910714224722
Energy: 1.6210889247408655
Energy: 1.3693910714235804
Energy: 1.5478550192449556
Energy: 1.2842611565004645
Energy: 1.2848031977849306
Energy: 1.2842611565004645
Energy: 1.6202035218279551
Energy: 1.282136923222366
Energy: 1.2842797339178968
Energy: 1.2821369232212576
Energy: 1.7845068623175662
Energy: 1.2831730597083186
Energy: 1.2823096097331743
Energy: 1.2831730597072102

minimum gb energy = 1.278221828392501 eV
minimum distance =  2.20361825579522 Angstroms
sigma value = 17


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

Energy: 1.9756006918361633
Energy: 1.2749860012596819
Energy: 1.563928546892723
Energy: 1.2672184243467262
Energy: 1.5816731378124207
Energy: 1.2735062775288037
Energy: 1.4318879461843572
Energy: 1.2735062775288037
Energy: 1.5704256813042985
Energy: 1.5226991271716652
Energy: 1.4311161991079733
Energy: 1.52269912716961
Energy: 1.5719009500989045
Energy: 1.3452440367603797
Energy: 1.64580913073192
Energy: 1.3452440367610647
Energy: 1.600227874935732
Energy: 1.2533522544472033
Energy: 1.697690811353837
Energy: 1.2533522544437776
Energy: 1.2552217870972135
Energy: 1.278382227415118
Energy: 1.7519321861005277
Energy: 1.278382227415118
Energy: 1.2556154519158296
Energy: 1.2533946329016623
Energy: 1.6987795435445625
Energy: 1.2533946329016623
Energy: 1.2649721525985358
Energy: 1.2548626533002007
Energy: 1.8381248879199084
Energy: 1.2548626533015714
Energy: 1.6044159891892396
Energy: 1.2560503001277519
Energy: 1.7102763338341593
Energy: 1.2560503001263814
Energy: 1.4355440059071238
Energy: 1.5222544631963366
Energy: 1.4389965732018237
Energy: 1.5222544631963366
Energy: 1.6711737206826236
Energy: 1.2701712692577236
Energy: 1.2835217470933238
Energy: 1.270171269259094
Energy: 1.7841309530666962
Energy: 1.2735365038207305
Energy: 1.4394398165617774
Energy: 1.2735365038207305
Energy: 1.973326351676487
Energy: 1.2705829220871756
Energy: 1.2714732753401055
Energy: 1.270582922088546
Energy: 1.7437341635896983
Energy: 1.2702552095486999
Energy: 1.2740054596668535
Energy: 1.2702552095493846
Energy: 1.5666738901500905
Energy: 1.2727265852273695
Energy: 1.2788478198478532
Energy: 1.2727265852273695
Energy: 1.782760918314167
Energy: 1.3224724547266002
Energy: 1.7068634374211191
Energy: 1.32247245472523
Energy: 1.2739589945179022
Energy: 1.3855690263791824
Energy: 1.738127769248796
Energy: 1.385569026381923
Energy: 1.2690182234462621
Energy: 1.2707343876025599
Energy: 1.74508880165935
Energy: 1.27073438760393
Energy: 1.3415325167803978
Energy: 1.2730705451292523
Energy: 1.70555234338983
Energy: 1.2730705451285673
Energy: 1.5679121115696475
Energy: 1.4712680512113356
Energy: 1.8866820624505691
Energy: 1.4712680512195568
Energy: 1.433394243582876
Energy: 1.2725178445374297
Energy: 1.652545629618248
Energy: 1.2725178445388
Energy: 1.4334265039205516
Energy: 1.5235875258022868
Energy: 1.5667433087256297
Energy: 1.5235875258009164
Energy: 1.6958108596846337
Energy: 1.3430467885171196
Energy: 1.5675875260021934
Energy: 1.3430467885171196
Energy: 1.7023484211162296
Energy: 1.2545198430092437
Energy: 1.3967385893599409
Energy: 1.2545198430099285
Energy: 1.7455789574011191
Energy: 1.276221756508454
Energy: 1.2532553982565773
Energy: 1.2762217565070835
Energy: 1.6418527101782159
Energy: 1.2538584957567256
Energy: 1.2559794440399785
Energy: 1.2538584957567256
Energy: 1.889768514161571
Energy: 1.2558043555343523
Energy: 1.254018302853848
Energy: 1.2558043555357223
Energy: 1.7035550681368312
Energy: 1.2551844765527536
Energy: 1.6371462815288134
Energy: 1.2551844765513835
Energy: 1.435935443541389
Energy: 1.5193088625982436
Energy: 1.4355071958293013
Energy: 1.5193088625975584
Energy: 1.2855159012134276
Energy: 1.2701240015974864
Energy: 1.7389687370038245
Energy: 1.270124001592691
Energy: 1.440270782427736
Energy: 1.2848827679856185
Energy: 1.9491858689168853
Energy: 1.2848827679773975
Energy: 1.3221393253570062
Energy: 1.3202316460567698
Energy: 1.9371314145331202
Energy: 1.3202316460567698
Energy: 1.2703755247887591
Energy: 1.2693779444550823
Energy: 1.7395890553633673
Energy: 1.2693779444550823
Energy: 1.2732225267821256
Energy: 1.2731965243564285
Energy: 1.5831715484714097
Energy: 1.2731965243557435
Energy: 1.709700048155384
Energy: 1.3202691225793848
Energy: 1.7500586619455465
Energy: 1.3202691225793848
Energy: 1.798413819467339
Energy: 1.2740495916913674
Energy: 1.2730144747605094
Energy: 1.274049591685887
Energy: 1.74178376290572
Energy: 1.2700399817249373
Energy: 1.2706764927153762
Energy: 1.2700399817249373
Energy: 1.7083067951445805
Energy: 1.2740524450784343
Energy: 1.3443683421580181
Energy: 1.2740524450791193

minimum gb energy = 1.2532553982565773 eV
minimum distance =  2.1915960724876 Angstroms
sigma value = 89


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

Energy: 2.0787304620991267
Energy: 1.2436419930083
Energy: 1.499555172929914
Energy: 1.2238814657790216
Energy: 1.7625967324406595
Energy: 1.1618682645844631
Energy: 1.4622521090294411
Energy: 1.1618682645844631
Energy: 1.1496399599223304
Energy: 1.278209402626969
Energy: 1.484236804361834
Energy: 1.278209402626969
Energy: 1.1511538147964264
Energy: 1.279628017541153
Energy: 1.4617943272743268
Energy: 1.279628017541153
Energy: 1.196754647891246
Energy: 1.25977464686414
Energy: 1.539970925977971
Energy: 1.25977464686414
Energy: 1.16230569557957
Energy: 1.1603836707902064
Energy: 1.475411379819745
Energy: 1.1603836707902064
Energy: 1.159769906969386
Energy: 1.1591906607388565
Energy: 1.766072779542526
Energy: 1.1591906607388565
Energy: 1.1605507701173632
Energy: 1.1625112491812346
Energy: 1.7650055509236424
Energy: 1.1625112491812346
Energy: 1.462278948159611
Energy: 1.1618440233302023
Energy: 1.75958058462143
Energy: 1.1618440233302023
Energy: 1.4830310616747644
Energy: 1.2804420149834697
Energy: 1.485717573720541
Energy: 1.2804420149834697
Energy: 1.4616799694407672
Energy: 1.27740692027507
Energy: 1.1483413518812562
Energy: 1.27740692027507
Energy: 1.5424056418576042
Energy: 1.2600640411083444
Energy: 1.4607810880812564
Energy: 1.2600640411083444
Energy: 1.5393052734217072
Energy: 1.1614639293572129
Energy: 1.1610211675292068
Energy: 1.1614639293572129
Energy: 1.7638539356730398
Energy: 1.1586182259641633
Energy: 1.1582238276966015
Energy: 1.1586182259641633
Energy: 1.759570425244591
Energy: 1.1616053201701388
Energy: 1.1610090171811598
Energy: 1.1616053201701388

minimum gb energy = 1.1483413518812562 eV
minimum distance =  2.22565518320885 Angstroms
sigma value = 13


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

Energy: 1.8541460667108776
Energy: 1.1520916751509227
Energy: 1.4959940821865496
Energy: 1.152091675144912
Energy: 1.7853987835457161
Energy: 1.1241325376473046
Energy: 1.3078298077278843
Energy: 1.124132537643548
Energy: 1.6947664570975698
Energy: 1.121353780980306
Energy: 1.2829470940052983
Energy: 1.121353780978052
Energy: 1.4269143583899075
Energy: 1.1230497423159156
Energy: 1.3072005681858214
Energy: 1.1230497423151642
Energy: 1.580917779559867
Energy: 1.2033767519813305
Energy: 1.572551129943913
Energy: 1.2033767519798282
Energy: 1.2849292842168614
Energy: 1.122673177250969
Energy: 1.5696807892189233
Energy: 1.1226731772502176
Energy: 1.286433725155637
Energy: 1.1219440353435486
Energy: 1.8207606011771778
Energy: 1.121944035342797
Energy: 1.4949179952698477
Energy: 1.1237421267436227
Energy: 1.850740340373925
Energy: 1.1237421267428713
Energy: 1.1522541997511984
Energy: 1.1501774306762216
Energy: 1.7827320251325358
Energy: 1.1501774306747188
Energy: 1.1273473005762338
Energy: 1.1222697958294705
Energy: 1.822908850386794
Energy: 1.1222697958339103
Energy: 1.1216684098582532
Energy: 1.127865487160611
Energy: 1.8545780704727721
Energy: 1.1278654871628648
Energy: 1.5615356686215895
Energy: 1.122569358449251
Energy: 1.822073309581908
Energy: 1.1225693584485
Energy: 1.575429734488249
Energy: 1.190313842272679
Energy: 1.5613691748495087
Energy: 1.190313842270425
Energy: 1.5828228816678958
Energy: 1.1919146830563139
Energy: 1.4281642277113398
Energy: 1.1919146830548115
Energy: 1.8326638228698378
Energy: 1.1246962837487122
Energy: 1.544325216314102
Energy: 1.124696283747961
Energy: 1.7876210859697497
Energy: 1.1228864274127528
Energy: 1.1281888532484199
Energy: 1.122886427410499
Energy: 1.8216641753312937
Energy: 1.1227341310523193
Energy: 1.128762052325024
Energy: 1.122734131053822
Energy: 1.7549399176996678
Energy: 1.124292808890619
Energy: 1.491326233792248
Energy: 1.1242928088951272
Energy: 1.8603237131863404
Energy: 1.1283440411135628
Energy: 1.3138230172562442
Energy: 1.128344041115817
Energy: 1.785999421554321
Energy: 1.1203279733062461
Energy: 1.2785960838937587
Energy: 1.1203279733054947
Energy: 1.4613463866980259
Energy: 1.1250331802005167
Energy: 1.3073896887985441
Energy: 1.1250331802042735
Energy: 1.7701771006628229
Energy: 1.1993157117550568
Energy: 1.569417488959454
Energy: 1.1993157117550568
Energy: 1.2920162446070238
Energy: 1.1242032725633868
Energy: 1.5739214214259658
Energy: 1.1242032725611328
Energy: 1.126945010886488
Energy: 1.1202987423250093
Energy: 1.7745217054738378
Energy: 1.1202987423272635
Energy: 1.2989666685982564
Energy: 1.1229095434144232
Energy: 1.8319068767689901
Energy: 1.1229095434084126
Energy: 1.154782816012861
Energy: 1.1220088258255974
Energy: 1.787457605691216
Energy: 1.1220088258263483
Energy: 1.1221020150217267
Energy: 1.1209734597607073
Energy: 1.8167216550705645
Energy: 1.1209734597592045
Energy: 1.1222946730423888
Energy: 1.1248031128999425
Energy: 1.756125157358506
Energy: 1.1248031128976888
Energy: 1.5378053649449204
Energy: 1.1233544461270606
Energy: 1.8608583452532548
Energy: 1.123354446125558
Energy: 1.2771215711568655
Energy: 1.1916195024782157
Energy: 1.5650129544194935
Energy: 1.1916195024729563
Energy: 1.5841558059894885
Energy: 1.1950864939939927
Energy: 1.4633048934569328
Energy: 1.1950864939917387
Energy: 1.8177092975395248
Energy: 1.123800811163413
Energy: 1.539219978070674
Energy: 1.1238008111656672
Energy: 1.833160682097718
Energy: 1.1239159629101807
Energy: 1.1227459639876989
Energy: 1.1239159629116835
Energy: 1.81696527003501
Energy: 1.1213980019396914
Energy: 1.1224517283446862
Energy: 1.1213980019419454
Energy: 1.9526723871142697
Energy: 1.1230484099217564
Energy: 1.1314572968731322
Energy: 1.1230484099195024

minimum gb energy = 1.1202987423250093 eV
minimum distance =  2.22249793847085 Angstroms
sigma value = 37


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

Energy: 1.819376796620272
Energy: 1.143466392219162
Energy: 1.4552809171497583
Energy: 1.1434663922204547
Energy: 1.8466797790093452
Energy: 1.060839222554855
Energy: 1.3328460391620378
Energy: 1.060839222554855
Energy: 1.6235079303476319
Energy: 1.061021770690949
Energy: 1.3250466046363316
Energy: 1.0610217706896563
Energy: 1.6638662071203707
Energy: 1.4045052147639765
Energy: 1.3345890595084702
Energy: 1.4045052147639765
Energy: 1.5749715181961148
Energy: 1.1829878945936714
Energy: 1.4238771247387396
Energy: 1.182987894594964
Energy: 1.163044618168756
Energy: 1.044645669150941
Energy: 1.593328938215668
Energy: 1.0446456691522334
Energy: 1.1632221302226509
Energy: 1.0452955834025894
Energy: 1.7654293252955244
Energy: 1.0452955834025894
Energy: 1.593511975076121
Energy: 1.0259587828297
Energy: 1.8107053979913554
Energy: 1.0259587828297
Energy: 1.183012490341239
Energy: 1.0249397106912768
Energy: 1.7807866838604376
Energy: 1.024939710693862
Energy: 1.1573063884331385
Energy: 1.0254101451232769
Energy: 1.8490792276602186
Energy: 1.0254101451232769
Energy: 1.2851221539307536
Energy: 1.2865194351114912
Energy: 1.6201923685821742
Energy: 1.2865194351101985
Energy: 1.4092600789227152
Energy: 1.0255490444269713
Energy: 1.8493214623444616
Energy: 1.0255490444269713
Energy: 1.4470348326500628
Energy: 1.0248926801183869
Energy: 1.6234799956694284
Energy: 1.0248926801196796
Energy: 1.4562491559933797
Energy: 1.1434781932799456
Energy: 1.663739685045523
Energy: 1.1434781933548892
Energy: 1.4238771247400321
Energy: 1.335070836724294
Energy: 1.609364644469449
Energy: 1.335070836724294
Energy: 1.593328938215668
Energy: 1.3352178245834099
Energy: 1.3232243364678455
Energy: 1.3352178245821171
Energy: 1.7109487201505245
Energy: 1.1768270664352196
Energy: 1.1673277084261082
Energy: 1.1768270664352196
Energy: 1.8107053979913554
Energy: 1.0630652392349547
Energy: 1.4671828837975387
Energy: 1.0630652392349547
Energy: 1.7807866838617303
Energy: 1.0602884580895253
Energy: 1.0609203136539858
Energy: 1.0602884580895253
Energy: 1.8467173597358022
Energy: 1.0613014357846824
Energy: 1.0793498604373146
Energy: 1.0613014357846824

minimum gb energy = 1.0248926801183869 eV
minimum distance =  2.21729367993238 Angstroms
sigma value = 25


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

Energy: 1.9483874775516674
Energy: 1.0170458519935623
Energy: 1.3457957822380098
Energy: 0.9998351976290607
Energy: 1.912741077798752
Energy: 0.9269304215936296
Energy: 1.145339750610429
Energy: 0.9269304215936296
Energy: 1.6272729078925756
Energy: 0.9260765962800026
Energy: 1.1325794605991983
Energy: 0.9260765962800026
Energy: 1.3260812850759258
Energy: 0.9279246003340228
Energy: 1.1296704307742167
Energy: 0.9279246003340228
Energy: 1.640673643942737
Energy: 1.2485448853735377
Energy: 1.491205423755127
Energy: 1.2485448853735377
Energy: 1.3458980180545883
Energy: 1.0234132426574996
Energy: 1.4940274341672402
Energy: 1.0234132426574996
Energy: 1.3299685872159948
Energy: 1.485515778418547
Energy: 1.64098049283808
Energy: 1.4855157784195565
Energy: 1.1438580644594716
Energy: 0.9288419357508035
Energy: 1.4854132131061035
Energy: 0.928841935749794
Energy: 1.1425796403248714
Energy: 0.9263661111066772
Energy: 1.7747075083554193
Energy: 0.9263661111066772
Energy: 1.1457379067194788
Energy: 0.9269362569849394
Energy: 1.6430236502019349
Energy: 0.9269362569849394
Energy: 1.3440093806844846
Energy: 1.3479519451871635
Energy: 1.6610137224635433
Energy: 1.3479519451861541
Energy: 0.9331605957490845
Energy: 0.9268752248573398
Energy: 1.7730248394328134
Energy: 0.9268752248573398
Energy: 0.9290704045084963
Energy: 0.9268362855038772
Energy: 1.9094304587015725
Energy: 0.9268362855038772
Energy: 1.343444743227726
Energy: 0.9308278045957263
Energy: 1.636248453787146
Energy: 0.9308278045926982
Energy: 1.1302867767115214
Energy: 0.927650464344924
Energy: 1.6409089573709943
Energy: 0.927650464344924
Energy: 1.129777315980009
Energy: 0.9263085023929254
Energy: 1.6311309847519715
Energy: 0.9263085023929254
Energy: 1.4926551808621467
Energy: 1.2498562453140811
Energy: 1.627854454357135
Energy: 1.2498562453140811
Energy: 1.1265301164431372
Energy: 1.4904851808191621
Energy: 1.4873704237995689
Energy: 1.4904851808181525
Energy: 1.4932457084694983
Energy: 1.0228883866307887
Energy: 1.341832809497423
Energy: 1.0228883866307887
Energy: 1.772711776404243
Energy: 1.247643549647933
Energy: 1.342182633749629
Energy: 1.247643549647933
Energy: 1.5160755016663414
Energy: 0.9283421022722773
Energy: 1.143613999372381
Energy: 0.9283421022722773
Energy: 1.7740300330610035
Energy: 0.9278442257158257
Energy: 0.927955125531403
Energy: 0.9278442257158257
Energy: 1.7728023890574132
Energy: 0.9264771340179327
Energy: 1.1449525616456273
Energy: 0.9264771340169232
Energy: 1.5369169430879037
Energy: 0.9311156629613606
Energy: 1.3490103720018596
Energy: 0.93111566296237
Energy: 1.9140263182129311
Energy: 0.9258164421156365
Energy: 0.927209948934215
Energy: 0.9258164421156365
Energy: 1.630534280571333
Energy: 0.9276487598841366
Energy: 0.9275567465450902
Energy: 0.9276487598841366

minimum gb energy = 0.9258164421156365 eV
minimum distance =  2.23997878203175 Angstroms
sigma value = 41


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

Energy: 1.7391735513641193
Energy: 0.9197481363998741
Energy: 1.287140795002145
Energy: 0.9184560568758856
Energy: 1.9482829235073584
Energy: 0.8473514508946609
Energy: 1.0311482466242505
Energy: 0.8473514508954885
Energy: 1.7015882249526537
Energy: 0.8463200964059523
Energy: 1.0173451908343814
Energy: 0.8463200964084348
Energy: 1.5172594969599067
Energy: 0.846058142408103
Energy: 1.0086826006345444
Energy: 0.846058142408103
Energy: 1.7082515984653615
Energy: 1.34045507131468
Energy: 1.3315265665500426
Energy: 1.3404550713130252
Energy: 1.4468627241564826
Energy: 1.1414728046968856
Energy: 1.3280688968306693
Energy: 1.1414728046960583
Energy: 1.4553999453144641
Energy: 1.3986386105852875
Energy: 1.5826684472246688
Energy: 1.39863861058446
Energy: 1.3175113571013186
Energy: 1.1494636204262985
Energy: 1.3451420920803214
Energy: 1.1494636204751223
Energy: 1.1905801285751865
Energy: 1.1422205191012456
Energy: 1.5755053215526158
Energy: 1.1422205191012456
Energy: 1.1930787090233006
Energy: 1.1306498626095083
Energy: 1.8253279737963244
Energy: 1.1306498626095083
Energy: 1.0292225087567919
Energy: 0.8470219283056096
Energy: 1.610881013634224
Energy: 0.8470219283072647
Energy: 1.0087160021080182
Energy: 0.8439494469664832
Energy: 1.8249068452221653
Energy: 0.8439494469664832
Energy: 1.037563917541421
Energy: 0.8467031620874713
Energy: 1.8260479110826444
Energy: 0.8467031620874713
Energy: 1.2867859141825035
Energy: 0.8497147656393588
Energy: 1.6134759796107636
Energy: 0.8497147656401861
Energy: 0.8489509983484339
Energy: 0.8463318744475471
Energy: 1.8328386282808447
Energy: 0.8463318744467194
Energy: 0.8546370216126957
Energy: 0.8463266764146911
Energy: 1.707486907059574
Energy: 0.8463266764163462
Energy: 1.0265032549176034
Energy: 0.8482936049067556
Energy: 1.698153519331649
Energy: 0.8482936049059281
Energy: 1.008324179690822
Energy: 0.84574039219459
Energy: 1.7064570942655635
Energy: 0.8457403921962452
Energy: 1.009130215131665
Energy: 0.8452875267482194
Energy: 1.4817702954178833
Energy: 0.8452875267457367
Energy: 1.3336585792548288
Energy: 1.1325035443448757
Energy: 1.4479502778047535
Energy: 1.132503544344048
Energy: 1.347644631081645
Energy: 1.1323487476558387
Energy: 1.5810146116974455
Energy: 1.132348747656666
Energy: 1.3354567599991887
Energy: 1.149800895240558
Energy: 1.4567546929546211
Energy: 1.149800895240558
Energy: 1.5757830834557152
Energy: 1.392018304434509
Energy: 1.4467378000454354
Energy: 1.392018304434509
Energy: 1.3442109475125852
Energy: 1.1495555183265684
Energy: 1.3173065369337142
Energy: 1.1495555183265684
Energy: 1.5799309540214133
Energy: 1.1324025143816854
Energy: 1.1720827036721893
Energy: 1.1324025143899608
Energy: 1.5793275872863697
Energy: 1.132252635206099
Energy: 1.3317788021079797
Energy: 1.132252635206099
Energy: 1.582824793553837
Energy: 0.8469991596242351
Energy: 1.0319269567709861
Energy: 0.8469991596242351
Energy: 1.8278972728180696
Energy: 1.0672952646239704
Energy: 1.0073362487787931
Energy: 1.0672952646256255
Energy: 1.5829969830523611
Energy: 0.8478991925607362
Energy: 1.0266746353945722
Energy: 0.8478991925615637
Energy: 1.578422284288652
Energy: 0.8467759909260576
Energy: 0.8453580950067916
Energy: 0.8467759909260576
Energy: 1.8237751913934828
Energy: 0.8461609999256344
Energy: 0.8477275300580428
Energy: 0.8461609999264619
Energy: 1.6978854569159068
Energy: 0.8495122239704451
Energy: 0.8456979779217737
Energy: 0.8495122239712727

minimum gb energy = 0.8439494469664832 eV
minimum distance =  2.24433213114455 Angstroms
sigma value = 15


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

Energy: 1.5528441624856173
Energy: 0.8511745650279017
Energy: 1.239257008468007
Energy: 0.8449717013571953
Energy: 1.8666359272525082
Energy: 0.7827561770479045
Energy: 0.9445856430714299
Energy: 0.7827561770486053
Energy: 1.7537302549024287
Energy: 0.7837151871996386
Energy: 0.9269881416589548
Energy: 0.7837151872017418
Energy: 1.5423177843628042
Energy: 0.7812532500741077
Energy: 0.9173413751245993
Energy: 0.7812532500755098
Energy: 1.758691999252692
Energy: 1.2189590594140747
Energy: 1.1990025221481273
Energy: 1.2189590593951474
Energy: 1.528588839819997
Energy: 1.0469212916897765
Energy: 1.1996237266698428
Energy: 1.0469212916918798
Energy: 1.325170785125342
Energy: 1.2982489569501356
Energy: 1.4274973972395781
Energy: 1.2982489569494347
Energy: 1.4173067670010242
Energy: 1.2897929496463278
Energy: 1.2004872718441069
Energy: 1.2897929496449259
Energy: 1.303214648315326
Energy: 1.3008665538575004
Energy: 1.4172020469682172
Energy: 1.3008665538575004
Energy: 1.3014780912872956
Energy: 1.2920649136688132
Energy: 1.6403206003802007
Energy: 1.2920649136674107
Energy: 1.18457758025638
Energy: 1.0474069796060657
Energy: 1.4510394552821575
Energy: 1.0474069796025605
Energy: 1.054922531097372
Energy: 0.9757092542401014
Energy: 1.640294542053739
Energy: 0.9757092542443073
Energy: 1.2041550266418521
Energy: 1.0360777450904184
Energy: 1.6402584977812125
Energy: 1.0360777450911194
Energy: 0.9406297022539658
Energy: 0.7820866343756563
Energy: 1.4448243770905718
Energy: 0.7820866343777594
Energy: 0.9206389245428553
Energy: 0.7832497088141965
Energy: 1.856447504899617
Energy: 0.7832497087924647
Energy: 0.9539740431594077
Energy: 0.7825760082442889
Energy: 1.6451381057169323
Energy: 0.7825760082449897
Energy: 0.7804140244570517
Energy: 0.7839106538966906
Energy: 1.6507875619368175
Energy: 0.7839106538973917
Energy: 0.7806689957426551
Energy: 0.7810363366335475
Energy: 1.758205533628596
Energy: 0.7810363366335475
Energy: 0.7810912236858156
Energy: 0.783973683429438
Energy: 1.5364130628842216
Energy: 0.783973683429438
Energy: 0.9467578395384323
Energy: 0.7826489878151178
Energy: 1.7650832723207157
Energy: 0.7826489878151178
Energy: 0.9170562082523414
Energy: 0.7812911905853683
Energy: 1.758252101028037
Energy: 0.7812911905972859
Energy: 0.9190013942918193
Energy: 0.7816681656049662
Energy: 1.5396820643883267
Energy: 0.7816681656035641
Energy: 1.2035854869095495
Energy: 1.0363782412678226
Energy: 1.5267097990750225
Energy: 1.0363782412671214
Energy: 1.2004166602765904
Energy: 1.0368839134495949
Energy: 1.6433822693610316
Energy: 1.0368839134741308
Energy: 1.2185564748735733
Energy: 1.0481815742271572
Energy: 1.3486787347032685
Energy: 1.0481815742229508
Energy: 1.4164610248813736
Energy: 1.2914942020266176
Energy: 1.642716137481104
Energy: 1.2914942020259164
Energy: 1.1814402547926985
Energy: 1.2946764115065612
Energy: 1.4206293663056284
Energy: 1.2946764115065612
Energy: 1.432226526996145
Energy: 1.3080249363063696
Energy: 1.3487189043615748
Energy: 1.3080249363063696
Energy: 1.4203331502377452
Energy: 1.2961646898672252
Energy: 1.4221160565685125
Energy: 1.2961646898672252
Energy: 1.416021490757764
Energy: 1.0528873456561465
Energy: 1.189909265831756
Energy: 1.0528873456589505
Energy: 1.6532598350965253
Energy: 1.0349716818853465
Energy: 1.054690245499225
Energy: 1.0349716818748314
Energy: 1.4443807724155475
Energy: 1.036995832934068
Energy: 1.2000882022566712
Energy: 1.0369958329333668
Energy: 1.641328312226386
Energy: 0.783114185991216
Energy: 0.9484119863743252
Energy: 0.783114185991216
Energy: 1.7640510452823541
Energy: 0.7819243542497696
Energy: 0.9439872723906126
Energy: 0.7819243542497696
Energy: 1.639321319117107
Energy: 0.7882645216989185
Energy: 1.2373638353248184
Energy: 0.7882645216961143
Energy: 1.8597094161057215
Energy: 0.7828895554956506
Energy: 0.787854458528174
Energy: 0.7828895554956506
Energy: 1.7508045568448376
Energy: 0.7833802022195562
Energy: 0.7893245769926535
Energy: 0.7833802022195562

minimum gb energy = 0.7804140244570517 eV
minimum distance =  2.2464277755532 Angstroms
sigma value = 85


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

Energy: 1.6171971777344663
Energy: 0.819535053214735
Energy: 1.1721216087662079
Energy: 0.8087205592360499
Energy: 1.861290772414101
Energy: 0.7083440176148221
Energy: 0.846752915278938
Energy: 0.7083440176148221
Energy: 1.570471005297784
Energy: 0.7087324904605447
Energy: 0.8271602283616142
Energy: 0.7087324904617607
Energy: 1.369557151550646
Energy: 0.707590933852616
Energy: 0.8272753340469937
Energy: 0.707590933852008
Energy: 1.6719789444333644
Energy: 0.707651165757945
Energy: 1.0590980883521304
Energy: 0.7076511658247977
Energy: 1.3665022288676199
Energy: 0.7077690576530834
Energy: 1.0785861133006795
Energy: 0.7077690576530834
Energy: 1.3671605157865527
Energy: 1.1745987164831622
Energy: 1.269465846168857
Energy: 1.1745987164825542
Energy: 1.4717709671584553
Energy: 1.1743845609001535
Energy: 1.0712685320024642
Energy: 1.1743845609007617
Energy: 1.3704946169380672
Energy: 1.1841127704598744
Energy: 1.2726102719249195
Energy: 1.1841127704598744
Energy: 1.3702495983085505
Energy: 1.1988997203436043
Energy: 1.473306769665871
Energy: 1.1988997203436043
Energy: 1.2705822423646882
Energy: 1.1900125645416113
Energy: 1.283494061006143
Energy: 1.1900125645403956
Energy: 1.196673726324831
Energy: 1.1733401641686745
Energy: 1.4749916733360384
Energy: 1.1733401641686745
Energy: 1.2691803699711468
Energy: 1.1732873836985946
Energy: 1.4701873875152094
Energy: 1.1732873836979865
Energy: 1.0609176900005846
Energy: 0.7073655378401111
Energy: 1.2826961868444962
Energy: 0.7073655378401111
Energy: 0.9451538516172333
Energy: 0.7076219639518033
Energy: 1.673109092421459
Energy: 0.7076219639323472
Energy: 1.0754851902500053
Energy: 0.7084318903443634
Energy: 1.4709250933690243
Energy: 0.7084318903480115
Energy: 0.8468363588207419
Energy: 0.7075498696512192
Energy: 1.4687100271762203
Energy: 0.7075498696506113
Energy: 0.8264654471431444
Energy: 0.7080009629104453
Energy: 1.7730586729751778
Energy: 0.7080009629110534
Energy: 0.8483327235494607
Energy: 0.7103754665048975
Energy: 1.66929220063772
Energy: 0.7103754665048975
Energy: 0.707409484462831
Energy: 0.7094056743756372
Energy: 1.6686662789028242
Energy: 0.7094056743756372
Energy: 0.7080544875925139
Energy: 0.7078635382092107
Energy: 1.860460320598465
Energy: 0.7078635382086025
Energy: 0.7073947394195779
Energy: 0.7078818035882579
Energy: 1.5692595968252623
Energy: 0.707881803588866
Energy: 0.8469887636524792
Energy: 0.7091325695259392
Energy: 1.7655319875213558
Energy: 0.7091325695259392
Energy: 0.8291276680412619
Energy: 0.7083466603775367
Energy: 1.8621631299154597
Energy: 0.7083466603769286
Energy: 0.8265347608664335
Energy: 0.707605750662532
Energy: 1.3690085797686045
Energy: 0.707605750662532
Energy: 1.0779067676909586
Energy: 0.7082278036745705
Energy: 1.7701908281511094
Energy: 0.7082278036745705
Energy: 1.0604604510039821
Energy: 0.7068499908016221
Energy: 1.5716231011499049
Energy: 0.7068499907967581
Energy: 1.0606088609394255
Energy: 0.7082920479783276
Energy: 1.3665974534631453
Energy: 0.7082920483247515
Energy: 1.270978893380442
Energy: 1.1733877317679218
Energy: 1.5898463267016776
Energy: 1.1733877317679218
Energy: 1.2695448514530825
Energy: 1.1948120568422438
Energy: 1.3684324862641506
Energy: 1.1948120568416358
Energy: 1.471217112536565
Energy: 1.1965708954448415
Energy: 1.1941170937328183
Energy: 1.1965708954454495
Energy: 1.2854635558342955
Energy: 1.1965801382466366
Energy: 1.3986815366482097
Energy: 1.1965801382460282
Energy: 1.4718554300849913
Energy: 1.173102524342914
Energy: 1.1669888336631988
Energy: 1.173102524342914
Energy: 1.6709302869657883
Energy: 1.17374569095876
Energy: 1.1667258286901367
Energy: 1.173745690958152
Energy: 1.2842550893689573
Energy: 0.7079368493229355
Energy: 1.0623717030529563
Energy: 0.7079368493125994
Energy: 1.6720416916596204
Energy: 0.7072444252711523
Energy: 1.0591995232676883
Energy: 0.7072444252699362
Energy: 1.6707723581840122
Energy: 0.7077771624331927
Energy: 1.077906412780513
Energy: 0.7077771624331927
Energy: 1.4688015109847345
Energy: 0.7084516635869813
Energy: 0.8471405885900513
Energy: 0.7084516635839414
Energy: 1.8608921792963395
Energy: 0.707940197627522
Energy: 0.8272142213980114
Energy: 0.7079401976281301
Energy: 1.668735658353751
Energy: 0.7089833219825807
Energy: 0.8464109944818856
Energy: 0.7089833219831888
Energy: 1.4676719036047805
Energy: 0.7077425394408396
Energy: 0.7075591017076531
Energy: 0.7077425394414475
Energy: 1.773109874361371
Energy: 0.7070596886886751
Energy: 0.7075227866731595
Energy: 0.707059688688067
Energy: 1.5686574105897575
Energy: 0.7106182576040215
Energy: 0.7076133274355992
Energy: 0.7106182576040215

minimum gb energy = 0.7068499907967581 eV
minimum distance =  2.24640090732772 Angstroms
sigma value = 113


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

Energy: 0.0204660309381427
Energy: 0.022615603236657345
Energy: 1.3663867096501783
Energy: 0.02261560323712474
Energy: 0.02168443750435952
Energy: 0.1582889312646529
Energy: 0.8840921689477382
Energy: 0.15828893126423743
Energy: 0.02125680487860222
Energy: 0.15650367423456782
Energy: 0.8820221285950786
Energy: 0.15650367423456782
Energy: 0.023223436437180636
Energy: 0.15599524318466546
Energy: 1.3676323169026963
Energy: 0.15599524318419808
Energy: 0.8828967150841759
Energy: 0.15606460929189425
Energy: 0.8824592671865713
Energy: 0.15606460929236166
Energy: 0.02106826950112799
Energy: 0.15612265420587915
Energy: 0.8815257425595023
Energy: 0.15612265420587915

minimum gb energy = 0.0204660309381427 eV
minimum distance =  2.45953496184842 Angstroms
sigma value = 1