Model name: model_name=MEAM_LAMMPS_KimJungLee_2015_NiAlCo__MO_876687166519_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=3.521391749382019
cohesive_energy=4.450350014499071
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=[2.44846235384514e-19, 3.22705611090378e-19, 3.8083898807843395e-19, 4.2789331364237998e-19, 4.67463872148912e-19, 5.0148609297190195e-19, 5.31123156347634e-19, 5.571569244734999e-19, 5.8014014828823e-19, 6.00481382833494e-19, 6.1849625690619e-19, 6.34434710061222e-19, 6.484954122012059e-19, 6.608449896960779e-19, 6.71621229736362e-19, 6.8094429556960795e-19, 6.889119199704899e-19, 6.95613824830512e-19, 7.01125312451472e-19, 7.05515276428632e-19, 7.08844599474084e-19, 7.1116455124011595e-19, 7.12524799202382e-19, 7.1296860213e-19, 7.124879491398e-19, 7.109322356281859e-19, 7.0809798516264e-19, 7.037464734246959e-19, 6.97590910796868e-19, 6.89283624949578e-19, 6.784032434280839e-19, 6.64435467532872e-19, 6.4675224402341395e-19, 6.245749150555859e-19, 5.969405724723539e-19, 5.626379707384139e-19, 5.20143439874832e-19, 4.67510335271298e-19, 4.02240863555406e-19, 3.21081003983502e-19, 2.1974653623626997e-19, 9.252169517191499e-20, -6.83413249762602e-20, -2.73526799309748e-19, -5.380541724663179e-19, -8.835058852295938e-19, -1.3417428221432999e-18, -1.9611763523803798e-18, -2.8180845033089394e-18, -4.03794974890386e-18, -5.8381714366325995e-18, -8.6213925763857e-18, -1.3199708438638738e-17, -2.14119691897662e-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: 0.018089586653086118
Energy: 0.018369700653524532
Energy: 1.1254326565738382
Energy: 0.1601088936923015
Energy: 0.018369700653524532
Energy: 2.2537815837847406
Energy: 0.16010889369358677
Energy: 2.25378158378665
Energy: 1.1254326565738382
Energy: 0.1601088936929625
Energy: 0.018089586653086118
Energy: 0.018369700653524532
Energy: 0.1601088936929625
Energy: 2.2537815837853645
Energy: 0.018369700654185542
Energy: 2.2537815837834185

minimum gb energy = 0.018089586653086118 eV
minimum distance =  2.44908372510602 Angstroms
sigma value = 1


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

Energy: 2.06535245516128
Energy: 1.317805019989111
Energy: 1.4323620808813855
Energy: 1.4313052084387934
Energy: 1.3617007929984142
Energy: 1.4451269998986993
Energy: 1.3372864612281379
Energy: 1.4451269998995009
Energy: 1.4318012347611035
Energy: 1.4313966214643004
Energy: 2.2401104630406934
Energy: 1.4313966214626972
Energy: 1.3432958945033553
Energy: 1.3374769178046861
Energy: 1.3377822640233679
Energy: 1.3374769178054877
Energy: 1.9198726431546036
Energy: 1.3391904291915748
Energy: 1.3366773070428422
Energy: 1.3391904291923766
Energy: 1.424692936361455
Energy: 1.482411374314965
Energy: 1.3514112282018067
Energy: 1.482411374314965
Energy: 1.45103870606975
Energy: 1.4519573386493014
Energy: 1.9208808927285357
Energy: 1.4519573386493014
Energy: 1.3947202085024533
Energy: 1.395764942264357
Energy: 1.4558844020935038
Energy: 1.3957649422619518
Energy: 1.6546835340513588
Energy: 1.5260161522453344
Energy: 1.4936699294876357
Energy: 1.5260161522445328
Energy: 1.4499399535665964
Energy: 1.5010371706704926
Energy: 1.40858569955099
Energy: 1.5010371706704926
Energy: 1.4043270733821935
Energy: 1.5263902219840777
Energy: 1.654753207272059
Energy: 1.5263902219848793
Energy: 1.39542441087108
Energy: 1.5278503396005962
Energy: 1.459940691573172
Energy: 1.5278503396005962
Energy: 1.448710624736439
Energy: 1.4516868661369737
Energy: 1.377768161531104
Energy: 1.4516868661361721
Energy: 1.4264057940730372
Energy: 1.4512635223369965
Energy: 1.4140454829054103
Energy: 1.4512635223369965
Energy: 1.377077720452475
Energy: 1.3390190866803666
Energy: 1.3379614482144104
Energy: 1.3390190866811682
Energy: 1.3874788461738565
Energy: 1.3378839640763849
Energy: 1.3386472049561808
Energy: 1.3378839640763849
Energy: 1.4336228820269417
Energy: 1.4311223440431216
Energy: 1.3109204805197174
Energy: 1.4311223440423197
Energy: 1.3381613910298462
Energy: 1.342934365740159
Energy: 1.3606311007433531
Energy: 1.342934365739357
Energy: 1.3488923485397861
Energy: 1.4311443392064187
Energy: 1.434989046303901
Energy: 1.4311443392064187
Energy: 1.4213768243899447
Energy: 1.445669968389058
Energy: 1.3437977238886172
Energy: 1.4456699683898595
Energy: 1.3373473158546474
Energy: 1.3445313915776465
Energy: 1.919546189597847
Energy: 1.344531391578448
Energy: 1.351515138466255
Energy: 1.34986598975968
Energy: 1.4252995021242176
Energy: 1.34986598975968
Energy: 1.9214085946836148
Energy: 1.4517571780633407
Energy: 1.3934397907248803
Energy: 1.4517571780649439
Energy: 1.4564757891900713
Energy: 1.4621263716476751
Energy: 1.3971481268475505
Energy: 1.4621263716468735
Energy: 1.40772158529443
Energy: 1.5274580008738647
Energy: 1.6539334305494615
Energy: 1.527458000873063
Energy: 1.4113442949302724
Energy: 1.526726967600494
Energy: 1.4522345565751866
Energy: 1.5267269675996926
Energy: 1.6557794127681809
Energy: 1.527531563052968
Energy: 1.4049830877360427
Energy: 1.5275315630521662
Energy: 1.457070829180477
Energy: 1.5235737401320097
Energy: 1.3959851436328514
Energy: 1.5235737401320097
Energy: 1.3782220283966644
Energy: 1.4516438450727698
Energy: 1.4488033962548035
Energy: 1.4516438450743732
Energy: 1.4140847079328507
Energy: 1.4514859367463344
Energy: 1.4234604754168447
Energy: 1.4514859367471362
Energy: 1.3368942214558093
Energy: 1.3395361353907207
Energy: 1.3776602937967897
Energy: 1.3395361353915223
Energy: 1.3383818337959676
Energy: 1.3377008371935932
Energy: 1.3874285081389277
Energy: 1.3377008371943948
Energy: 1.3106890234783792
Energy: 1.3424853962699117
Energy: 1.4321597950411677
Energy: 1.3424853962707135

minimum gb energy = 1.3106890234783792 eV
minimum distance =  2.23440304131575 Angstroms
sigma value = 1


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

Energy: 2.328924998974875
Energy: 1.374112048584694
Energy: 1.5043253018202425
Energy: 1.5048572144707668
Energy: 1.4376832502420875
Energy: 1.5120126310203594
Energy: 1.4020437123116127
Energy: 1.5120126310203594
Energy: 1.5053790682478632
Energy: 1.5057220678287657
Energy: 2.1407215348124162
Energy: 1.5057220678278518
Energy: 1.4083708749996862
Energy: 1.4015810494364103
Energy: 1.4012759342137335
Energy: 1.4015810494336682
Energy: 2.1414529536583102
Energy: 1.402591476159394
Energy: 1.4017926365935258
Energy: 1.402591476159394
Energy: 1.5028441892306161
Energy: 1.5611169895492172
Energy: 1.4159626491089976
Energy: 1.5611169895510453
Energy: 1.4742902845500347
Energy: 1.5364512569651092
Energy: 1.801339053980989
Energy: 1.5364512569678512
Energy: 1.4650265787163526
Energy: 1.4651295735371919
Energy: 1.5366966449472992
Energy: 1.4651295735399341
Energy: 1.8034182332771256
Energy: 1.6086068393296262
Energy: 1.654917632623134
Energy: 1.6086068393296262
Energy: 1.5387683011317985
Energy: 1.5791694181629239
Energy: 1.4657625249947226
Energy: 1.5791694181629239
Energy: 1.448651546503431
Energy: 1.536335434256638
Energy: 1.544021442837571
Energy: 1.536335434255724
Energy: 1.4907804333397423
Energy: 1.5362829207156068
Energy: 1.5038328571247956
Energy: 1.5362829207137787
Energy: 1.4031940623388404
Energy: 1.4025298877365666
Energy: 1.9510804931074857
Energy: 1.4025298877365666
Energy: 1.4016599281353048
Energy: 1.4016890213560411
Energy: 1.4560661793715892
Energy: 1.4016890213560411
Energy: 1.366778989009888
Energy: 1.505392786541832
Energy: 1.504331930452043
Energy: 1.505392786540918
Energy: 1.4329003173787256
Energy: 1.409117199637607
Energy: 1.4017247722572843
Energy: 1.409117199637607
Energy: 1.5048409899181527
Energy: 1.5052055702999378
Energy: 1.4133947660098591
Energy: 1.5052055702971958
Energy: 1.4088157074321461
Energy: 1.5142461728111787
Energy: 1.502326207979963
Energy: 1.5142461728139207
Energy: 1.4146154805743225
Energy: 1.4094088979609158
Energy: 1.4031058422640006
Energy: 1.4094088979609158
Energy: 1.5040848535915696
Energy: 1.4024042073539988
Energy: 1.4171927870767913
Energy: 1.4024042073549128
Energy: 1.470138241845242
Energy: 1.5369046951533916
Energy: 1.8012855794908573
Energy: 1.5369046951533916
Energy: 1.4644196612717761
Energy: 1.5368476343819508
Energy: 1.5375208875981716
Energy: 1.5368476343810369
Energy: 1.8027160352145861
Energy: 1.6084319930897584
Energy: 1.4725263522313539
Energy: 1.6084319930897584
Energy: 1.5379850386165705
Energy: 1.608195343130563
Energy: 1.466188551747222
Energy: 1.6081953431314768
Energy: 1.4493123100566319
Energy: 1.5365120078658003
Energy: 1.5428288000606318
Energy: 1.5365120078648864
Energy: 1.4912075616298022
Energy: 1.5399359317808585
Energy: 1.5030285466580928
Energy: 1.5399359317790304
Energy: 1.401600771398401
Energy: 1.4024348699929863
Energy: 1.447941429913574
Energy: 1.4024348699939004
Energy: 1.4027161344413002
Energy: 1.4025789938291384
Energy: 1.4555629862502886
Energy: 1.4025789938309665
Energy: 1.3667341666246309
Energy: 1.4089833285925106
Energy: 1.5040306184452836
Energy: 1.4089833285961668

minimum gb energy = 1.3667341666246309 eV
minimum distance =  2.23241349032885 Angstroms
sigma value = 25


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

Energy: 2.2067523587091578
Energy: 1.4334612244086322
Energy: 1.5845442544733905
Energy: 1.584313044697387
Energy: 1.5170453592371127
Energy: 1.5814253801902034
Energy: 1.4715391315907516
Energy: 1.5814253801902034
Energy: 1.5838612273328112
Energy: 1.5852061357484106
Energy: 2.005736430475009
Energy: 1.5852061357484106
Energy: 1.4821414308842793
Energy: 1.4727800776058746
Energy: 1.4721639370479522
Energy: 1.4727800776048123
Energy: 2.0066244452571294
Energy: 1.472299217560915
Energy: 1.4723156963265596
Energy: 1.472299217560915
Energy: 1.5864292269822522
Energy: 1.6442110706864264
Energy: 1.4838976184467845
Energy: 1.6442110706853637
Energy: 1.5524379969759996
Energy: 1.6371796263578318
Energy: 1.6609439716106043
Energy: 1.6371796263578318
Energy: 1.5306388879129447
Energy: 1.6448295031905196
Energy: 1.6308335523480135
Energy: 1.6448295031905196
Energy: 1.6615199772457958
Energy: 1.6366650838021863
Energy: 1.8120006038138607
Energy: 1.6366650838032486
Energy: 1.6088943903405273
Energy: 1.637022052185855
Energy: 1.4839063602120688
Energy: 1.6370220521869174
Energy: 1.423229266626556
Energy: 1.4721791443243994
Energy: 1.4707080896181204
Energy: 1.4721791443243994
Energy: 1.528288775099903
Energy: 1.4720360466792617
Energy: 1.4712415857936412
Energy: 1.4720360466792617
Energy: 1.5837970120452718
Energy: 1.5846783202136667
Energy: 1.4215397471969806
Energy: 1.5846783202126045
Energy: 1.49450689457498
Energy: 1.4824363010849242
Energy: 1.5185542103351788
Energy: 1.4824363010849242
Energy: 2.003709477172188
Energy: 1.5852487766074206
Energy: 1.5859069736380536
Energy: 1.5852487766074206
Energy: 1.5976921280009933
Energy: 1.5821104259636856
Energy: 1.481948444395621
Energy: 1.5821104259636856
Energy: 1.472119463094896
Energy: 1.4821575970391092
Energy: 2.0057335047508773
Energy: 1.482157597040172
Energy: 1.4861135360166966
Energy: 1.4716571188041239
Energy: 1.5859512439175731
Energy: 1.4716571188030614
Energy: 1.6612869588801507
Energy: 1.6369390640602641
Energy: 1.5980448469802688
Energy: 1.6369390640602641
Energy: 1.6325973486780014
Energy: 1.6369633887688113
Energy: 1.5330263204359171
Energy: 1.6369633887688113
Energy: 1.5243616319560553
Energy: 1.6367116937677253
Energy: 1.6610907525480945
Energy: 1.636711693768788
Energy: 1.5784154671345907
Energy: 1.6423041424638538
Energy: 1.5991880745483311
Energy: 1.642304142462791
Energy: 1.4720350402415647
Energy: 1.47261765687019
Energy: 1.425005417745041
Energy: 1.47261765687019
Energy: 1.4719717557003522
Energy: 1.4720093026498586
Energy: 1.5285386831175338
Energy: 1.4720093026487964
Energy: 1.423912889011273
Energy: 1.4825672485635621
Energy: 1.584000586463062
Energy: 1.4825672485635621

minimum gb energy = 1.4215397471969806 eV
minimum distance =  2.23660719581827 Angstroms
sigma value = 9


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

Energy: 2.022734310742961
Energy: 1.486705981910775
Energy: 1.6681683433379075
Energy: 1.667103942230242
Energy: 1.617925869522574
Energy: 1.6436952135786425
Energy: 1.5473709680831245
Energy: 1.6436952135774034
Energy: 1.667673231347874
Energy: 1.6678136830101238
Energy: 2.3690833737374506
Energy: 1.6678136830101238
Energy: 1.5322811948963675
Energy: 1.546311185354507
Energy: 1.5467694881771388
Energy: 1.5463111853532683
Energy: 1.8199962543499597
Energy: 1.547160315909501
Energy: 1.545933601515314
Energy: 1.5471603159082334
Energy: 1.7615380589803864
Energy: 1.7993449326400228
Energy: 1.5485029280999019
Energy: 1.7993449326400228
Energy: 1.6185168421362681
Energy: 1.7501371354469812
Energy: 1.8245943553966166
Energy: 1.7501371354469812
Energy: 1.5490011004101847
Energy: 1.7617691812143736
Energy: 1.7613697147623424
Energy: 1.7617691812143736
Energy: 1.5457446658954679
Energy: 1.5476214676687512
Energy: 1.4704891752397664
Energy: 1.5476214676700188
Energy: 1.5463693549003312
Energy: 1.5461774938353974
Energy: 1.6044578642635297
Energy: 1.5461774938341297
Energy: 2.0267926316525227
Energy: 1.6665727152666157
Energy: 1.6668572195396816
Energy: 1.6665727152666157
Energy: 1.584591664766222
Energy: 1.564025929973887
Energy: 1.5471542931194784
Energy: 1.564025929973887
Energy: 1.6686585988296208
Energy: 1.6677058685235673
Energy: 1.5270049006725266
Energy: 1.6677058685248347
Energy: 1.565202913141652
Energy: 1.6436333578932774
Energy: 1.6640752602054882
Energy: 1.6436333578932774
Energy: 1.8206757203557737
Energy: 1.5640663976355904
Energy: 1.5506680038702567
Energy: 1.5640663976355904
Energy: 1.7608298710115207
Energy: 1.5467460943022513
Energy: 1.5467054923583035
Energy: 1.5467460943022513
Energy: 1.6639880350908107
Energy: 1.7502753323619775
Energy: 1.8242081158451384
Energy: 1.750275332363245
Energy: 1.5851619698624348
Energy: 1.749652999456803
Energy: 1.7595896281110248
Energy: 1.749652999456803
Energy: 1.5443655496389845
Energy: 1.5489863991987225
Energy: 1.470048314679058
Energy: 1.5489863991987225
Energy: 1.5468622631918245
Energy: 1.5472574260913512
Energy: 1.4701121572580131
Energy: 1.5472574260850136
Energy: 1.4680101530417486
Energy: 1.5639203831817288
Energy: 1.6673483797219368
Energy: 1.5639203831829962

minimum gb energy = 1.4680101530417486 eV
minimum distance =  2.22949068357663 Angstroms
sigma value = 25


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

Energy: 1.754562985385726
Energy: 1.5155766699002522
Energy: 1.7444537373061255
Energy: 1.7439469988795042
Energy: 1.494254457931214
Energy: 1.6266787753443646
Energy: 1.5453966521208093
Energy: 1.6266787753443646
Energy: 1.7437750193210733
Energy: 1.7448393560070512
Energy: 2.1465035864363378
Energy: 1.7448393560070512
Energy: 1.7013741263721935
Energy: 1.6281070873016044
Energy: 1.5460677774793135
Energy: 1.6281070873016044
Energy: 1.6246209223134556
Energy: 1.6325492655813516
Energy: 1.5468423694328526
Energy: 1.632549265582919
Energy: 1.9066591269227506
Energy: 1.6314725613746452
Energy: 1.5448410052746016
Energy: 1.6314725614154015
Energy: 1.7605011080331565
Energy: 1.6330556283268094
Energy: 1.6289599652271083
Energy: 1.6330556283252418
Energy: 1.4944588385882185
Energy: 1.7295676616698312
Energy: 1.6527791708612982
Energy: 1.729567661671399
Energy: 1.742765133199114
Energy: 1.742879893285988
Energy: 1.8949030325755756
Energy: 1.742879893285988
Energy: 1.5455239210694978
Energy: 1.502508441672777
Energy: 1.8945863743969795
Energy: 1.502508441672777
Energy: 2.1461313841935286
Energy: 1.7446604608230987
Energy: 1.7471936744392562
Energy: 1.7446604608230987
Energy: 1.6935706157349486
Energy: 1.6269665084338047
Energy: 1.6998203477369944
Energy: 1.6269665084338047
Energy: 1.5479366091747524
Energy: 1.501745002808489
Energy: 1.6247686951637186
Energy: 1.501745002808489
Energy: 1.547381854785889
Energy: 1.6335045719742824
Energy: 1.9081468814867824
Energy: 1.6335045719742824
Energy: 1.6271639932248798
Energy: 1.6312043156299947
Energy: 1.4939761368224096
Energy: 1.6312043156112197
Energy: 1.5449153213401245
Energy: 1.6529808697026618
Energy: 1.494375164018732
Energy: 1.6529808697042294
Energy: 1.4941157103137792
Energy: 1.5028369893363536
Energy: 1.7440881849458805
Energy: 1.5028369893363536

minimum gb energy = 1.4939761368224096 eV
minimum distance =  2.30994857769751 Angstroms
sigma value = 17


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

Energy: 2.4267864622651785
Energy: 1.7971550414907242
Energy: 1.934418885162757
Energy: 1.9348790917484395
Energy: 1.7925464101334028
Energy: 1.6293780686044976
Energy: 1.9158373064167162
Energy: 1.6293780686044976
Energy: 1.660942430588397
Energy: 1.661242960029771
Energy: 2.2062492193394814
Energy: 1.661242960029771
Energy: 1.6250492882958507
Energy: 1.6272601353371317
Energy: 1.9165928553296503
Energy: 1.6272601353371317
Energy: 1.8263979844933145
Energy: 1.762394657665773
Energy: 1.6673008589778113
Energy: 1.762394657666661
Energy: 1.9140506079031554
Energy: 1.764790508423046
Energy: 1.7164914629489976
Energy: 1.7647905084239337
Energy: 1.9882209272658098
Energy: 1.6604842461975622
Energy: 1.6583151344473839
Energy: 1.6604842461966747
Energy: 2.0418927926659904
Energy: 1.625541081885461
Energy: 1.6763752042302393
Energy: 1.6255410818863485
Energy: 1.9360355723932867
Energy: 1.9353420241159278
Energy: 2.209706582858157
Energy: 1.9353420241150399
Energy: 1.883628587059632
Energy: 1.7301040982387277
Energy: 1.9136336289660978
Energy: 1.7301040982387277
Energy: 1.8262409491156497
Energy: 1.5997708653576563
Energy: 1.6170458419651799
Energy: 1.5997708653487788
Energy: 1.8836060748055952
Energy: 1.6001027672479664
Energy: 1.5980446980438552
Energy: 1.6001027672461907
Energy: 1.7209124369375808
Energy: 1.599557378530343
Energy: 1.5977972805268739
Energy: 1.599557378530343
Energy: 1.72120146168812
Energy: 1.6269401184136827
Energy: 1.6149090892786864
Energy: 1.626940118412795
Energy: 1.9358671696161787
Energy: 1.8837236284787895
Energy: 2.037236405836792
Energy: 1.8837236284779018
Energy: 1.9366120608487962
Energy: 1.918069594936325
Energy: 2.0370542068119977
Energy: 1.918069594936325
Energy: 1.8800253274892471
Energy: 1.6247396785832522
Energy: 1.6625312112451385
Energy: 1.6247396785832522
Energy: 1.8794531713513911
Energy: 1.624739600484004
Energy: 1.6591347671659982
Energy: 1.6247396004831163
Energy: 1.7138956955058993
Energy: 1.8165028420023732
Energy: 1.7328206805641662
Energy: 1.8165028420023732
Energy: 1.6646110239838583
Energy: 1.7657458522789506
Energy: 1.7165714865282953
Energy: 1.7657458522789506
Energy: 1.624461455038604
Energy: 1.6248710768118357
Energy: 1.8904454300129796
Energy: 1.624871076810948
Energy: 1.6606596432929484
Energy: 1.6731415499669915
Energy: 1.981873176895007
Energy: 1.6731415499669915
Energy: 1.9138804932439974
Energy: 1.7292146033347564
Energy: 1.7889542749107175
Energy: 1.7292146033338684
Energy: 2.2073418482554796
Energy: 1.9349986987354664
Energy: 1.9359209823304833
Energy: 1.934998698736354
Energy: 1.5631373081274418
Energy: 1.5986741526060033
Energy: 1.8841510066574196
Energy: 1.5986741526051156
Energy: 1.597960622894098
Energy: 1.600055218732009
Energy: 1.8276069939019473
Energy: 1.600055218732009
Energy: 1.6162816856686668
Energy: 1.702509864216275
Energy: 2.0476143908088336
Energy: 1.702509864216275
Energy: 1.5982196802789248
Energy: 1.5996694571516106
Energy: 1.988141122353399
Energy: 1.5996694571516106
Energy: 1.7409435651534595
Energy: 1.6287256215911747
Energy: 1.7205267917259948
Energy: 1.6287256215885113
Energy: 2.4283885116728032
Energy: 1.9355725514251902
Energy: 1.9341058469412955
Energy: 1.9355725514251902

minimum gb energy = 1.5631373081274418 eV
minimum distance =  2.23574379137953 Angstroms
sigma value = 53


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

Energy: 2.1601102262826677
Energy: 1.4607627511756476
Energy: 1.7766212830126258
Energy: 1.775389223649242
Energy: 2.0921846224179435
Energy: 1.545198091010746
Energy: 1.7660722314615334
Energy: 1.545198091010746
Energy: 1.7756977040157205
Energy: 1.7780740151250711
Energy: 1.7904739310552222
Energy: 1.7780740151250711
Energy: 1.7660324245161059
Energy: 1.5467266536234279
Energy: 1.7983024761323163
Energy: 1.5467266536234279
Energy: 1.8011953418085445
Energy: 1.5451804900902748
Energy: 1.4291297566530425
Energy: 1.5451804900902748
Energy: 1.7629458823378639
Energy: 1.54717143689205
Energy: 1.429536185584443
Energy: 1.5471714368940939
Energy: 2.1437614016891944
Energy: 1.775117476423398
Energy: 1.7740756328005869
Energy: 1.7751174764213538
Energy: 2.117394809035615
Energy: 1.5470748783053117
Energy: 1.7766548818410586
Energy: 1.5470748783053117
Energy: 1.77726293956602
Energy: 1.7770886412728453
Energy: 1.7930839838786954
Energy: 1.7770886412708014
Energy: 1.7647632227752408
Energy: 1.5469140267142063
Energy: 1.7664178193572981
Energy: 1.5469140267142063
Energy: 1.7986270011243743
Energy: 1.5476171963258192
Energy: 1.4298118289295096
Energy: 1.5476171963258192
Energy: 1.7679689664285207
Energy: 1.545282159605823
Energy: 1.4289489664968835
Energy: 1.5452821596078667
Energy: 2.1387300004199807
Energy: 1.5472494052243806
Energy: 1.7766889965308494
Energy: 1.5472494052243806

minimum gb energy = 1.4289489664968835 eV
minimum distance =  2.29567338083383 Angstroms
sigma value = 9


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

Energy: 2.2227593212753005
Energy: 1.9971794576871198
Energy: 2.0617052570753875
Energy: 2.060459381586726
Energy: 1.6690376538770328
Energy: 1.6035973875918188
Energy: 2.1146222228995546
Energy: 1.6035973875933316
Energy: 1.6009086388450366
Energy: 1.6030596235579337
Energy: 2.0152258049493663
Energy: 1.6030596235624723
Energy: 1.6023378469078255
Energy: 1.603084195398428
Energy: 2.157776958214679
Energy: 1.6030841953976716
Energy: 1.6060238258009707
Energy: 1.600833992455006
Energy: 2.1482815631272456
Energy: 1.600833992455006
Energy: 1.6789099162966787
Energy: 1.6023460361960804
Energy: 2.144245218526742
Energy: 1.6023460361945676
Energy: 1.9843066002924739
Energy: 2.0532881673660195
Energy: 2.0453395543732626
Energy: 2.0532881673667758
Energy: 1.9801455653412416
Energy: 1.8033816449026527
Energy: 2.0458640775391688
Energy: 1.8033816449034092
Energy: 1.7196883327878552
Energy: 1.7337061534702969
Energy: 1.7384134118233867
Energy: 1.733706153474079
Energy: 1.6133961463847029
Energy: 1.6873917197699513
Energy: 2.010270428435092
Energy: 1.6873917197722206
Energy: 1.7743099906555817
Energy: 1.760183513838047
Energy: 2.003733379619434
Energy: 1.7601835138395598
Energy: 1.7941705096184628
Energy: 1.8912097201682228
Energy: 2.20566429457728
Energy: 1.8912097201689793
Energy: 2.0994894142116416
Energy: 1.7926356777055281
Energy: 1.8525697494887186
Energy: 1.7926356777040149
Energy: 2.1058477456717624
Energy: 1.800081265353799
Energy: 1.8424267168293904
Energy: 1.8000812653492604
Energy: 1.954107340640579
Energy: 1.7625946733232651
Energy: 1.771807407355375
Energy: 1.762594673361088
Energy: 1.875316883902736
Energy: 1.8433246892500752
Energy: 1.7596990429514463
Energy: 1.843324689251588
Energy: 1.945973060427469
Energy: 1.8099382124041377
Energy: 1.8967775743850501
Energy: 1.8099382124041377
Energy: 1.9448386163965012
Energy: 1.9407079129392544
Energy: 2.084812332417816
Energy: 1.9407079129384979
Energy: 1.9084304536389112
Energy: 1.8366533053308596
Energy: 1.6510827872168394
Energy: 1.836653305330103
Energy: 2.0143234818102536
Energy: 1.687116893737584
Energy: 1.6799892146549156
Energy: 1.6871168937413663
Energy: 2.094518118787871
Energy: 1.680182384670159
Energy: 1.682306300469548
Energy: 1.6801823846716717
Energy: 2.1406675183971475
Energy: 1.6335098915199535
Energy: 1.6355194723818784
Energy: 1.6335098915191968
Energy: 2.1443873161541744
Energy: 1.635594975441685
Energy: 1.7089626562086082
Energy: 1.635594975443198
Energy: 2.0614900047966596
Energy: 2.0450340160953813
Energy: 2.1038040774697193
Energy: 2.0450340160953813
Energy: 2.085541818997085
Energy: 1.800539644558599
Energy: 2.1017659658994075
Energy: 1.8005396445601118
Energy: 1.7422797888416905
Energy: 1.7768760646958208
Energy: 1.724703464206234
Energy: 1.7768760646965773
Energy: 2.0100894985391893
Energy: 1.6461529620584407
Energy: 1.6123799781913195
Energy: 1.6461529620584407
Energy: 2.0772237005125156
Energy: 1.7607890160835482
Energy: 1.767036787082765
Energy: 1.7607890160835482
Energy: 2.2248390537411065
Energy: 1.8170159207760073
Energy: 1.7765687100592369
Energy: 1.817015920776764
Energy: 1.8344429401786817
Energy: 1.7599451197247802
Energy: 1.9867143909945502
Energy: 1.7599451197247802
Energy: 1.794501271097054
Energy: 1.7688074473044377
Energy: 2.019560642939186
Energy: 1.768807447306707
Energy: 1.756160255472714
Energy: 1.743556345811324
Energy: 2.026675449105195
Energy: 1.743556345815106
Energy: 1.6888709106815047
Energy: 1.7677236392926512
Energy: 1.8801131416818708
Energy: 1.7677236392896252
Energy: 1.7722487589151001
Energy: 1.781323653304596
Energy: 1.9205912571017916
Energy: 1.7813236533068653
Energy: 2.2237736001246344
Energy: 2.0550270104561386
Energy: 2.0595320258740513
Energy: 2.055027010453113

minimum gb energy = 1.600833992455006 eV
minimum distance =  2.22121111107397 Angstroms
sigma value = 73


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

Energy: 2.185515453223789
Energy: 1.698130582222551
Energy: 1.9647693519841765
Energy: 1.8884864617685777
Energy: 1.7258623747889263
Energy: 1.6473066838095813
Energy: 1.6985485120076005
Energy: 1.6473066838083812
Energy: 1.6475537612345936
Energy: 1.6478726788008022
Energy: 1.8691998188752672
Energy: 1.6478726787996023
Energy: 1.6382399116336384
Energy: 1.6058349619131023
Energy: 2.0702960050909245
Energy: 1.6058349619131023
Energy: 1.6390621778742562
Energy: 1.653803849338703
Energy: 2.086122209351884
Energy: 1.6538038493399032
Energy: 1.8155371980116695
Energy: 1.6384496136184346
Energy: 2.0914562832352557
Energy: 1.6384496136184346
Energy: 1.8416632787395593
Energy: 2.004827518382781
Energy: 2.012965064202156
Energy: 2.004827518382781
Energy: 1.8403069889598416
Energy: 1.9312908343286734
Energy: 1.937449706352948
Energy: 1.9312908343286734
Energy: 1.755879409812216
Energy: 1.9035654119189465
Energy: 1.903768738010342
Energy: 1.9035654118781404
Energy: 1.6583042256348781
Energy: 1.8633130054037688
Energy: 1.938865151287104
Energy: 1.8633130054037688
Energy: 1.7826131307514967
Energy: 1.6943919667121756
Energy: 1.9556623145312866
Energy: 1.6943919667109755
Energy: 1.7051463318834597
Energy: 1.6907297782237831
Energy: 1.9756400929518212
Energy: 1.6907297782237831
Energy: 1.9189952833032657
Energy: 1.8060626624795006
Energy: 1.6894957256080865
Energy: 1.8060626624807004
Energy: 1.8685614693508747
Energy: 1.7612722359532713
Energy: 1.7603538024251983
Energy: 1.7612722359520712
Energy: 1.9763340499452702
Energy: 1.6865975448367458
Energy: 1.6825668822814912
Energy: 1.6865975448355457
Energy: 2.087189106468514
Energy: 1.6916189810922695
Energy: 1.6924485541994188
Energy: 1.6916189810934696
Energy: 2.0894477011344814
Energy: 1.8458358587788208
Energy: 1.8011937102460893
Energy: 1.8458358587800212
Energy: 1.9324318725594156
Energy: 1.931716140813071
Energy: 2.627687284471421
Energy: 1.9317161408118708
Energy: 1.8754908068970328
Energy: 1.8595025465564434
Energy: 1.840842573234267
Energy: 1.8595025465576438
Energy: 1.7869583161877343
Energy: 1.7077552889213141
Energy: 1.6889812149378018
Energy: 1.7077552889225143
Energy: 1.8811395958617216
Energy: 1.7134292490382557
Energy: 1.6592385657296618
Energy: 1.7134292490382557
Energy: 2.080494854843321
Energy: 1.8900726229593272
Energy: 1.9563200581414248
Energy: 1.8900726229593272

minimum gb energy = 1.6058349619131023 eV
minimum distance =  2.18366294624147 Angstroms
sigma value = 7


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

Energy: 2.4945221574668572
Energy: 1.584851088911752
Energy: 1.8851199157991925
Energy: 1.8855255889749403
Energy: 1.7954929546663763
Energy: 1.7312644983124972
Energy: 1.9969297280103224
Energy: 1.7312644983124972
Energy: 1.6028357780984785
Energy: 1.601958186107275
Energy: 1.7268171085791355
Energy: 1.6019581861055776
Energy: 1.5985511646532162
Energy: 1.6035993406701392
Energy: 2.0336992934111287
Energy: 1.6035993406760796
Energy: 1.6322786049690807
Energy: 1.6309110563580138
Energy: 1.8738485326503302
Energy: 1.6309110563563167
Energy: 1.6063852954383915
Energy: 1.6345951352654562
Energy: 1.874816179700157
Energy: 1.6345951352620613
Energy: 1.9923833451663584
Energy: 1.629928004093011
Energy: 1.6026880418912857
Energy: 1.6299280040964057
Energy: 1.9859254655500496
Energy: 1.6308807603816133
Energy: 1.6335760612139947
Energy: 1.630880760384159
Energy: 2.104306316462511
Energy: 1.6133582457726792
Energy: 1.6134274074803276
Energy: 1.6133582457726792
Energy: 1.8752526115838615
Energy: 1.8356049543082062
Energy: 1.6065546700603681
Energy: 1.8356049543107524
Energy: 2.098625916833477
Energy: 1.7388386885700224
Energy: 1.8454235597847095
Energy: 1.738838688569174
Energy: 1.8880357550308753
Energy: 1.8076892046048039
Energy: 2.109461783729916
Energy: 1.8076892048457447
Energy: 1.732514117366509
Energy: 1.7319043616221086
Energy: 1.8344669536293334
Energy: 1.7319043616229572
Energy: 1.7316452057719303
Energy: 1.671933332790346
Energy: 1.5771803499464432
Energy: 1.6719333327886488
Energy: 1.8004785733997122
Energy: 1.7319210039917363
Energy: 1.5793341160746015
Energy: 1.7319210039942825
Energy: 2.048026007230939
Energy: 1.8149600491336069
Energy: 1.8878203233286917
Energy: 1.814960049135304
Energy: 2.04158095543895
Energy: 1.7388895542147085
Energy: 1.8453321744828326
Energy: 1.7388895542147085
Energy: 1.6077286797640797
Energy: 1.8352394321866543
Energy: 1.7251171648119759
Energy: 1.8352394321858059
Energy: 1.610049580448997
Energy: 1.6141100194529772
Energy: 1.8418778654276318
Energy: 1.6141100194521287
Energy: 1.72128381133993
Energy: 1.6354625196392227
Energy: 2.0424300588462185
Energy: 1.6354625196375252
Energy: 1.6024432461038385
Energy: 1.6305538271893967
Energy: 1.8803722259652893
Energy: 1.6305538271893967
Energy: 1.9849283621425253
Energy: 1.6365452128470452
Energy: 1.6116788372396036
Energy: 1.6365452128461961
Energy: 1.9860641846466283
Energy: 1.633390542326606
Energy: 1.6326997309790359
Energy: 1.6333905423249089
Energy: 2.003377497248231
Energy: 1.614751989107688
Energy: 1.613606485354222
Energy: 1.6147519891093856
Energy: 1.877749130788631
Energy: 1.6022978203477398
Energy: 1.600453756261108
Energy: 1.6022978203485885
Energy: 1.8804831894409155
Energy: 1.7314880663098788
Energy: 1.6369448571380658
Energy: 1.7314880663098788
Energy: 1.8852283176181912
Energy: 1.8856476103737112
Energy: 2.1803588830751788
Energy: 1.8856476103745599
Energy: 1.7368554158697567
Energy: 1.736911001301366
Energy: 1.8240996831759264
Energy: 1.7369110013030635
Energy: 1.730663603968691
Energy: 1.6749782004277964
Energy: 1.7344478357993045
Energy: 1.6749782004260994
Energy: 1.8379179240525247
Energy: 1.731157879358466
Energy: 1.5770303390685563
Energy: 1.731157879361861
Energy: 2.041445795252974
Energy: 1.7395148681053827
Energy: 1.8081304914482175
Energy: 1.7395148675701126

minimum gb energy = 1.5770303390685563 eV
minimum distance =  2.19336014369657 Angstroms
sigma value = 29


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

Energy: 1.4117820770750573
Energy: 1.4139881616737056
Energy: 1.7553309534810433
Energy: 1.8520778585382462
Energy: 1.4155427579468196
Energy: 1.5921507626109663
Energy: 1.552756118296737
Energy: 1.5921507626109663
Energy: 1.7540779940827649
Energy: 1.5425715973809535
Energy: 1.4235247842848697
Energy: 1.5425715973812488
Energy: 1.4155737116554852
Energy: 1.442238149765049
Energy: 1.4445186661318024
Energy: 1.442238149765049
Energy: 1.4403726770369825
Energy: 1.4419260512542627
Energy: 1.4162937806188851
Energy: 1.4419260512536713
Energy: 1.444627096318253
Energy: 1.5393955828069834
Energy: 1.416097603280592
Energy: 1.5393955828075416
Energy: 1.4240432209567606
Energy: 1.543014162272653
Energy: 1.7547010198908706
Energy: 1.5430141622715032
Energy: 1.554656248970224
Energy: 1.442339299320996
Energy: 1.4155767903896412
Energy: 1.4423392993207005
Energy: 1.4164561444713821
Energy: 1.4416643602193921
Energy: 1.4426819392977648
Energy: 1.4416643602193921

minimum gb energy = 1.4117820770750573 eV
minimum distance =  2.26641397423772 Angstroms
sigma value = 5


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

Energy: 1.93143763211097
Energy: 1.4675005699256092
Energy: 1.8309289460399112
Energy: 1.82885538684088
Energy: 1.8189589106723099
Energy: 1.4776186765797994
Energy: 1.7387028949113976
Energy: 1.4776186765797994
Energy: 1.7386640810934646
Energy: 1.5885726235375563
Energy: 1.7354431674457322
Energy: 1.5885726235375563
Energy: 1.496020987943285
Energy: 1.4762083693860795
Energy: 1.8856117393237375
Energy: 1.4762083693876826
Energy: 1.7431292182754854
Energy: 1.603913123356202
Energy: 1.7294413514319713
Energy: 1.6039131233554005
Energy: 1.5579816109809512
Energy: 1.4955634463955672
Energy: 1.7309915043794766
Energy: 1.4955634463939638
Energy: 1.476974531841555
Energy: 1.475666230947899
Energy: 1.883951183443897
Energy: 1.475666230947899
Energy: 1.4783279772283713
Energy: 1.4785680064511042
Energy: 1.9409591931423453
Energy: 1.4785680064511042
Energy: 1.8190467624382294
Energy: 1.5538204311433232
Energy: 1.9589302624821348
Energy: 1.5538204311425214
Energy: 1.7102574862550817
Energy: 1.4597492205585794
Energy: 1.459370404636567
Energy: 1.4597492205577778
Energy: 1.6861815959255375
Energy: 1.4587120805119966
Energy: 1.4587935329809614
Energy: 1.458712080511195
Energy: 1.9569794233550486
Energy: 1.4665637433598973
Energy: 1.4576045946800267
Energy: 1.4665637433606988
Energy: 1.9625570124878913
Energy: 1.464133901561833
Energy: 1.6507334781165355
Energy: 1.464133901561833
Energy: 1.817535750491278
Energy: 1.5602031978533273
Energy: 1.7303815229405888
Energy: 1.5602031978541289
Energy: 1.4780902049858342
Energy: 1.4771396038986229
Energy: 1.7322016589053522
Energy: 1.4771396038986229
Energy: 1.4780352719108112
Energy: 1.476821314248257
Energy: 1.7502873032888533
Energy: 1.4768213142570752
Energy: 1.828855384982638
Energy: 1.4768782563784633
Energy: 1.4954045591090912
Energy: 1.4768782563792648
Energy: 1.806434346839062
Energy: 1.4790094115120012
Energy: 1.8222966388477773
Energy: 1.4790094115103978
Energy: 1.7176040419781924
Energy: 1.5904440749880597
Energy: 1.7388417382834827
Energy: 1.590444074987258
Energy: 1.882644405927701
Energy: 1.4759721040455585
Energy: 1.4915316394729283
Energy: 1.4759721040447569
Energy: 1.7319751819859985
Energy: 1.4836111332869917
Energy: 1.7428624361291596
Energy: 1.4836111332869917
Energy: 1.7291279023509238
Energy: 1.557916144067125
Energy: 1.5601008398460472
Energy: 1.557916144067125
Energy: 1.8884953960012645
Energy: 1.4763638969312727
Energy: 1.478352492928687
Energy: 1.4763638969320743
Energy: 1.9634408008902846
Energy: 1.4772658324007142
Energy: 1.4780791255640748
Energy: 1.4772658324007142
Energy: 1.960561624673126
Energy: 1.5534481080646878
Energy: 1.8165395585420174
Energy: 1.5534481080638862
Energy: 1.4641293539450935
Energy: 1.4609481241765168
Energy: 1.7100719749675566
Energy: 1.4609481241773186
Energy: 1.4634992484792755
Energy: 1.4583726996545787
Energy: 1.6833975708573885
Energy: 1.4583726996521735
Energy: 1.5001854498788336
Energy: 1.4600185709971654
Energy: 1.4916466103565529
Energy: 1.4600185709963638
Energy: 1.4623221356958653
Energy: 1.4581134008779837
Energy: 1.9377079530358714
Energy: 1.4581134008779837
Energy: 1.7296531304628315
Energy: 1.5534069533126234
Energy: 1.8159237173699956
Energy: 1.5534069533126234
Energy: 1.729214131102915
Energy: 1.4772166995031861
Energy: 1.4803786403400194
Energy: 1.4772166995031861
Energy: 1.7381970695028885
Energy: 1.4772284490877943
Energy: 1.4793584562015119
Energy: 1.4772284490869927
Energy: 1.4963675593936365
Energy: 1.4759788434349523
Energy: 1.560378504965509
Energy: 1.4759788434341505

minimum gb energy = 1.4576045946800267 eV
minimum distance =  2.22415810194408 Angstroms
sigma value = 1


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

Energy: 2.254212157350037
Energy: 1.4941536928534953
Energy: 1.8176427959396815
Energy: 1.8171939573726008
Energy: 1.6976047389297277
Energy: 1.4428368399148594
Energy: 1.778488582426368
Energy: 1.4428368399148594
Energy: 1.77496029531595
Energy: 1.5904535284176664
Energy: 1.776009957381132
Energy: 1.5904535284165584
Energy: 1.595768226932624
Energy: 1.7455484528892855
Energy: 1.7781080423037956
Energy: 1.7455484528881773
Energy: 1.782112153185686
Energy: 1.5607278648171723
Energy: 1.6261510985313796
Energy: 1.5607278648171723
Energy: 1.5590647976095222
Energy: 1.4792549133516806
Energy: 1.6248918877056542
Energy: 1.4792549133527888
Energy: 1.4475110769846444
Energy: 1.4477139063360496
Energy: 1.7788810572772018
Energy: 1.4477139063371578
Energy: 1.4493059672232385
Energy: 1.4521998458687162
Energy: 1.9371618089122806
Energy: 1.4521998458676078
Energy: 1.499033281377925
Energy: 1.5552895470979589
Energy: 1.9358780176234267
Energy: 1.5552895470979589
Energy: 1.9005545561586208
Energy: 1.3993535130535437
Energy: 1.567630270881191
Energy: 1.3993535130546522
Energy: 1.4992134421836951
Energy: 1.4128777721746908
Energy: 1.5695709626061156
Energy: 1.4128777721746908
Energy: 2.04908429471108
Energy: 1.3981702439683583
Energy: 1.5293130423275065
Energy: 1.3981702439672496
Energy: 2.0781203157226877
Energy: 1.3975763777091528
Energy: 1.5560071162502738
Energy: 1.3975763777102614
Energy: 1.914315169393796
Energy: 1.3961307983648241
Energy: 1.8946265317126703
Energy: 1.3961307983648241
Energy: 1.5952769070580586
Energy: 1.708358010830068
Energy: 1.8945034241048098
Energy: 1.708358010830068
Energy: 1.6156394110245933
Energy: 1.4484952618005233
Energy: 1.8651608570140934
Energy: 1.448495261799415
Energy: 1.6563754885757969
Energy: 1.540909753242564
Energy: 1.623360141435175
Energy: 1.5409097532414557
Energy: 1.4743133287505248
Energy: 1.451783749228485
Energy: 1.6234316139391332
Energy: 1.451783749226268
Energy: 1.4506634155313984
Energy: 1.4487642959902685
Energy: 1.9344483173389468
Energy: 1.4487642959891602
Energy: 1.4488633836444957
Energy: 1.7312263079558334
Energy: 1.9499657848683187
Energy: 1.7312263079547252
Energy: 1.9174029991007218
Energy: 1.5573659090252774
Energy: 1.7870577407867219
Energy: 1.5573659090263858
Energy: 1.9073125560915658
Energy: 1.4423326595981532
Energy: 1.4427844938409282
Energy: 1.4423326595981532
Energy: 1.986833291940218
Energy: 1.4409871065105373
Energy: 1.441563479622272
Energy: 1.4409871065094286
Energy: 1.933998982708929
Energy: 1.4961764945781875
Energy: 1.4956288641548092
Energy: 1.496176494577079

minimum gb energy = 1.3961307983648241 eV
minimum distance =  2.22224558721471 Angstroms
sigma value = 17


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

Energy: 2.181640958436537
Energy: 1.4085434910846535
Energy: 1.7990836924305857
Energy: 1.7980593926455442
Energy: 1.4186046962679995
Energy: 1.4088688281448494
Energy: 1.6368569069441594
Energy: 1.4088688281448494
Energy: 1.8306744318635795
Energy: 1.7122215638435492
Energy: 1.627592432194803
Energy: 1.7122215638435492
Energy: 1.7976251054730445
Energy: 1.4940482107790585
Energy: 1.7976054341521859
Energy: 1.4940482107783737
Energy: 1.572411252260852
Energy: 1.4246330961325886
Energy: 1.9980409795662508
Energy: 1.4246330961332734
Energy: 1.4314301687148223
Energy: 1.4225449744052272
Energy: 1.9801696938197244
Energy: 1.422544974404542
Energy: 1.3944398173806172
Energy: 1.3928281230166093
Energy: 1.4926486596818311
Energy: 1.3928281230166093
Energy: 1.4014740108578265
Energy: 1.3955556920900603
Energy: 2.1894626216532087
Energy: 1.3955556920907455
Energy: 1.977051233666973
Energy: 1.3956810234307517
Energy: 1.8183127046211962
Energy: 1.3956810234348624
Energy: 1.60404229433893
Energy: 1.4936361946139132
Energy: 1.6351344863628474
Energy: 1.4936361946159686
Energy: 2.079056366920267
Energy: 1.4070113581248505
Energy: 1.4168080671061791
Energy: 1.4070113581262207
Energy: 1.9765899723488138
Energy: 1.4108738352332284
Energy: 1.6404046723750592
Energy: 1.4108738352325436
Energy: 1.9885148988209893
Energy: 1.469624466133016
Energy: 1.4777824584825807
Energy: 1.4696244661337012
Energy: 1.8675864409864444
Energy: 1.4069318582406993
Energy: 1.4108225459806325
Energy: 1.4069318582420696
Energy: 1.8243430548306834
Energy: 1.409431862522402
Energy: 1.4158463417916411
Energy: 1.409431862522402
Energy: 2.1415268671768257
Energy: 1.4741891755325327
Energy: 1.81083127172098
Energy: 1.4741891755325327
Energy: 1.408079193167894
Energy: 1.5090919741569453
Energy: 1.988776748449391
Energy: 1.50909197415763
Energy: 1.412173263454635
Energy: 1.4075753481917301
Energy: 2.080790997441359
Energy: 1.4075753481917301
Energy: 1.477332048294122
Energy: 1.4095503930986486
Energy: 1.8177385720442025
Energy: 1.4095503930986486
Energy: 1.4880368923498568
Energy: 1.6274788597245582
Energy: 2.1830562018234616
Energy: 1.6274788595766398
Energy: 1.6322538142575078
Energy: 1.4093020137322283
Energy: 1.7262692205256063
Energy: 1.4093020137322283
Energy: 1.6304933667237127
Energy: 1.709907764204674
Energy: 1.8294490175655356
Energy: 1.7099077642060443
Energy: 1.5814886717913559
Energy: 1.3925660966005065
Energy: 1.827256856109497
Energy: 1.3925660965991362
Energy: 1.9846995589075132
Energy: 1.3942351122345875
Energy: 1.634459592713178
Energy: 1.3942351122352725
Energy: 1.976719886016565
Energy: 1.3981560030844098
Energy: 1.4251673103953506
Energy: 1.3981560030830396
Energy: 1.7442046343230262
Energy: 1.3936498080254267
Energy: 1.3975276154384397
Energy: 1.393649808026797
Energy: 2.1835977200931866
Energy: 1.396685486662037
Energy: 1.4056645609413216
Energy: 1.396685486662722
Energy: 2.0219597953201562
Energy: 1.3948395805136014
Energy: 1.977427868632882
Energy: 1.3948395805129161
Energy: 1.6301156112551687
Energy: 1.7088772626460145
Energy: 1.607743434361532
Energy: 1.7088772626460145
Energy: 1.4190349316354862
Energy: 1.4063007652826058
Energy: 2.082738191607638
Energy: 1.4063007652832913
Energy: 1.6358197240252412
Energy: 1.5030664140219512
Energy: 1.9796665447859092
Energy: 1.5030664140219512
Energy: 1.472352871380622
Energy: 1.4683060530028123
Energy: 1.9817816961759365
Energy: 1.4683060530028123
Energy: 1.4073452786444773
Energy: 1.4060899060209964
Energy: 1.8638176455317692
Energy: 1.4060899060196264
Energy: 1.421213834018643
Energy: 1.410019141725164
Energy: 1.7973732980046684
Energy: 1.4100191417258494
Energy: 2.0344621563847456
Energy: 1.4719029541521598
Energy: 2.135575372449735
Energy: 1.4719029541514748
Energy: 1.9876265075315065
Energy: 1.4117396031227385
Energy: 1.4086853732823834
Energy: 1.4117396031234235
Energy: 2.081392328465073
Energy: 1.4067248189909114
Energy: 1.4079604435840631
Energy: 1.406724818988856
Energy: 1.8235227092341169
Energy: 1.411085534666831
Energy: 1.4992506482434573
Energy: 1.4110855346661457

minimum gb energy = 1.3925660965991362 eV
minimum distance =  2.23111872810589 Angstroms
sigma value = 89


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

Energy: 2.296785805631107
Energy: 1.3545650001081377
Energy: 1.28953337953823
Energy: 1.2895018724329546
Energy: 2.140258798102819
Energy: 1.2892738708636673
Energy: 1.7203681016400758
Energy: 1.2892738708636673
Energy: 1.2778100984713108
Energy: 1.4257264337581281
Energy: 1.7388720352433884
Energy: 1.4257264337581281
Energy: 1.2792805431440597
Energy: 1.4277124949875386
Energy: 1.4034735027182237
Energy: 1.427712494985746
Energy: 1.3277012428505635
Energy: 1.2897261651534992
Energy: 1.7317019326565224
Energy: 1.2897261651534992
Energy: 1.2894736901511463
Energy: 1.289874594394611
Energy: 1.7295862272824525
Energy: 1.289874594394611
Energy: 1.2873967675485105
Energy: 1.2882041418959314
Energy: 1.4053082526800318
Energy: 1.2882041418959314
Energy: 1.290368429504813
Energy: 1.2904961790465497
Energy: 2.1407087778592637
Energy: 1.2904961790465497
Energy: 1.72026441021825
Energy: 1.4268180348015722
Energy: 2.1421727692839885
Energy: 1.4268180348015722
Energy: 1.794693069698105
Energy: 1.428721668900421
Energy: 1.7453723753400874
Energy: 1.428721668900421
Energy: 1.4041508981261823
Energy: 1.4260801481685776
Energy: 1.2768815156337805
Energy: 1.4260801481685776
Energy: 1.7293412049816053
Energy: 1.2907197179519996
Energy: 1.4053464434900753
Energy: 1.2907197179519996
Energy: 1.7313704492731683
Energy: 1.2911919658716475
Energy: 1.29049261509059
Energy: 1.2911919658716475
Energy: 1.4040388102249115
Energy: 1.2873277056953163
Energy: 1.285308405234938
Energy: 1.2873277056953163
Energy: 2.1416452332947054
Energy: 1.2903140711477512
Energy: 1.2903859512173361
Energy: 1.2903140711477512

minimum gb energy = 1.2768815156337805 eV
minimum distance =  2.25266236405063 Angstroms
sigma value = 13


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

Energy: 2.0464183729454497
Energy: 1.272788567916321
Energy: 1.699047541462764
Energy: 1.6938365768942527
Energy: 1.9775287227216205
Energy: 1.2415763291153286
Energy: 1.478422842360119
Energy: 1.2415763291160797
Energy: 1.9846297847911138
Energy: 1.2417706808171218
Energy: 1.439303683678693
Energy: 1.2417706808201272
Energy: 1.6246338645685954
Energy: 1.3386414202337718
Energy: 1.5052730335324453
Energy: 1.3386414202315178
Energy: 1.8371423620757303
Energy: 1.3338409464584313
Energy: 1.8733034667234856
Energy: 1.3338409464599341
Energy: 1.4741301535849105
Energy: 1.2429434386919154
Energy: 1.8719802095393363
Energy: 1.2429434386971752
Energy: 1.4742924985537784
Energy: 1.2425570771122014
Energy: 1.8443784631855562
Energy: 1.2425570771106986
Energy: 1.3167205276489986
Energy: 1.2808451382914963
Energy: 2.156914374070682
Energy: 1.2808451382937502
Energy: 1.2523554263343946
Energy: 1.2439667621668347
Energy: 2.1227016485795005
Energy: 1.2439667621683375
Energy: 1.246812010944031
Energy: 1.241565943421392
Energy: 2.121274469780297
Energy: 1.2415659434206407
Energy: 1.2420965701615607
Energy: 1.2490877135359728
Energy: 2.0476696380234425
Energy: 1.2490877135404808
Energy: 1.8638366350011284
Energy: 1.241535559842913
Energy: 1.838798530950479
Energy: 1.2415355598459183
Energy: 1.8766122900474722
Energy: 1.32295490541678
Energy: 1.8650121713633458
Energy: 1.322954905419034
Energy: 1.8282433113609065
Energy: 1.2402679693950853
Energy: 1.6267337991526476
Energy: 1.2402679693965881
Energy: 2.081800274688701
Energy: 1.2431329910446491
Energy: 1.7108211879024735
Energy: 1.2431329910438977
Energy: 2.090629589005791
Energy: 1.244217069503577
Energy: 1.2590143074204434
Energy: 1.2442170695028256
Energy: 1.8477309847778833
Energy: 1.2416716701747124
Energy: 1.2424992723343145
Energy: 1.2416716701829769
Energy: 2.049818863855212
Energy: 1.2435602561843118
Energy: 1.2533588964589166
Energy: 1.2435602561835604
Energy: 2.2208451195655585
Energy: 1.243759718216827
Energy: 1.5113500167647786
Energy: 1.2437597182198323
Energy: 2.1214754113080687
Energy: 1.2401022870268543
Energy: 1.4343517372983208
Energy: 1.2401022870306109
Energy: 1.6210859744135866
Energy: 1.2468081523026797
Energy: 1.505614945167662
Energy: 1.2468081523019283
Energy: 1.8333300056930681
Energy: 1.3288170146898002
Energy: 1.8706584859776214
Energy: 1.3288170146920542
Energy: 1.4823703031646405
Energy: 1.2428705175058776
Energy: 1.8410171740944272
Energy: 1.2428705175073804
Energy: 1.243758090339464
Energy: 1.2403577837003599
Energy: 1.8376065159150536
Energy: 1.2403577836988573
Energy: 1.463152886164042
Energy: 1.27908015196954
Energy: 2.1528571937978795
Energy: 1.2790801519710424
Energy: 1.2827233818577017
Energy: 1.2783718768043753
Energy: 2.1442664345771982
Energy: 1.2783718767976133
Energy: 1.2410871143118327
Energy: 1.240294852905045
Energy: 1.8402679137360147
Energy: 1.2402948529088018
Energy: 1.2414132149996029
Energy: 1.2455531826428863
Energy: 2.051908185497405
Energy: 1.2455531826458914
Energy: 1.7884212125553158
Energy: 1.2421541677986359
Energy: 2.2634296289908193
Energy: 1.242154167797133
Energy: 1.4331705610772005
Energy: 1.3284223776784512
Energy: 1.8427979119817264
Energy: 1.3284223776769484
Energy: 1.8475664752362793
Energy: 1.3349650630747356
Energy: 1.622965226436735
Energy: 1.3349650630754866
Energy: 2.0897109331581616
Energy: 1.2427225805582738
Energy: 1.8441277257429909
Energy: 1.2427225805597766
Energy: 2.0816531188730036
Energy: 1.244126067157213
Energy: 1.2571311581703284
Energy: 1.2441260671534562
Energy: 1.8537750932537453
Energy: 1.2402323637950903
Energy: 1.2411992586181582
Energy: 1.240232363796593
Energy: 2.224621266131818
Energy: 1.2417110034824548
Energy: 1.2498336903185954
Energy: 1.2417110034884653

minimum gb energy = 1.2401022870268543 eV
minimum distance =  2.2465499875484 Angstroms
sigma value = 37


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

Energy: 2.0019908812578127
Energy: 1.2565964102418055
Energy: 1.1723740553596582
Energy: 1.1693173853615964
Energy: 2.1695198407859735
Energy: 1.1707569394766484
Energy: 1.4979549678256445
Energy: 1.1707569394766484
Energy: 1.8994938917820996
Energy: 1.169081344883475
Energy: 1.5030358317122292
Energy: 1.1690813448821824
Energy: 1.960465871354867
Energy: 1.3141624033464707
Energy: 1.7533773797505678
Energy: 1.3141624033464707
Energy: 1.8298939923730855
Energy: 1.3137736626971361
Energy: 1.631998415831525
Energy: 1.3137736626971361
Energy: 1.3004428391509457
Energy: 1.15987112610777
Energy: 1.8960113209515732
Energy: 1.15987112610777
Energy: 1.3004360363655283
Energy: 1.1608004887075878
Energy: 1.761210137939113
Energy: 1.1608004887088803
Energy: 1.3881371475814388
Energy: 1.1366307294837614
Energy: 2.1500746482834825
Energy: 1.1366307294837614
Energy: 1.3094582739185496
Energy: 1.1630218836397166
Energy: 2.1500154681385593
Energy: 1.1630218836410091
Energy: 1.31832154427413
Energy: 1.133833150291618
Energy: 1.7606313302420404
Energy: 1.1338331502928813
Energy: 1.4407469409020401
Energy: 1.441187518186421
Energy: 1.7966492005748498
Energy: 1.4411875181851284
Energy: 1.6343925717188337
Energy: 1.1337660681090889
Energy: 1.7597125044236415
Energy: 1.1337660681090889
Energy: 1.6466317938327437
Energy: 1.1595683842585107
Energy: 1.8997176642736775
Energy: 1.1595683842598035
Energy: 1.6502080340361993
Energy: 1.2730547612342995
Energy: 1.9618805570291782
Energy: 1.273054761233007
Energy: 1.631998415831525
Energy: 1.3034164533574495
Energy: 1.7611626565431229
Energy: 1.3034164533574495
Energy: 1.8960113209502805
Energy: 1.3032579655993526
Energy: 1.527146764394346
Energy: 1.3032579655993526
Energy: 1.8311787242404862
Energy: 1.1690705365343133
Energy: 1.3004392838932841
Energy: 1.1690705365343133
Energy: 2.1500746482821897
Energy: 1.1699218142004641
Energy: 1.1605377886565726
Energy: 1.1699218141991714
Energy: 2.1500154681385593
Energy: 1.1738997226634684
Energy: 1.1699260085431986
Energy: 1.1738997226634684
Energy: 2.0738345850824356
Energy: 1.170880933736495
Energy: 1.170239852497861
Energy: 1.1708809337352022

minimum gb energy = 1.1337660681090889 eV
minimum distance =  2.23036490478648 Angstroms
sigma value = 25


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

Energy: 2.290173297799369
Energy: 1.112689571911071
Energy: 1.0399492533563002
Energy: 1.0353849665049006
Energy: 2.062741641354968
Energy: 1.0369483636003882
Energy: 1.2960413603346637
Energy: 1.0369483636003882
Energy: 2.0838465859513153
Energy: 1.0358490157786027
Energy: 1.2866482559181482
Energy: 1.0358490157775935
Energy: 1.6741661412518094
Energy: 1.0399561035881497
Energy: 1.5933193080212407
Energy: 1.0399561035881497
Energy: 1.9621094200064406
Energy: 1.14861594431472
Energy: 1.8056389176537437
Energy: 1.1486159443106823
Energy: 1.6736942535531665
Energy: 1.1476032716393516
Energy: 1.7899685254501607
Energy: 1.147603271640361
Energy: 1.6690484213813168
Energy: 1.0323053635987909
Energy: 1.9075064911176722
Energy: 1.0323053636007637
Energy: 1.3013556507996245
Energy: 1.0327022562627635
Energy: 1.87860083707925
Energy: 1.0327022562627635
Energy: 1.3021015978185622
Energy: 1.0350245107272291
Energy: 2.182154227549013
Energy: 1.0350245107272291
Energy: 1.3053697328859395
Energy: 1.0323248282405093
Energy: 1.9821770476135614
Energy: 1.0323248282405093
Energy: 1.1487100230855882
Energy: 1.0324234250922715
Energy: 1.9744179072813015
Energy: 1.0324234250902526
Energy: 1.1608275335742249
Energy: 1.0334604986177998
Energy: 1.9821501571266835
Energy: 1.0334604986188092
Energy: 1.1600220208535992
Energy: 1.0206133753603728
Energy: 1.9949120633613215
Energy: 1.0206133753593636
Energy: 1.2206597578212257
Energy: 1.0180132250018061
Energy: 1.9401075127475356
Energy: 1.0180132250028155
Energy: 1.4058682104233997
Energy: 1.0182307810801545
Energy: 1.9499917800964037
Energy: 1.0182307810801545
Energy: 1.4007999103397601
Energy: 1.0341228598295509
Energy: 2.0500515832821318
Energy: 1.0341228598305603
Energy: 1.7691647667720585
Energy: 1.0341778992296549
Energy: 2.079103307697213
Energy: 1.0341778992306643
Energy: 1.397246370134328
Energy: 1.1496551310041268
Energy: 1.7440695116280134
Energy: 1.1496551310031173
Energy: 1.7831366120930587
Energy: 1.1475147224604147
Energy: 1.6697710365701774
Energy: 1.1475147224624338
Energy: 1.9677111879432867
Energy: 1.1445277117738546
Energy: 1.6667404086700752
Energy: 1.1445277117738546
Energy: 1.9759777203147864
Energy: 1.039754189899861
Energy: 1.2971532455840435
Energy: 1.039754189899861
Energy: 2.1644017588140056
Energy: 1.0349171768602303
Energy: 1.148871866926241
Energy: 1.0349171768602303
Energy: 2.040068826282102
Energy: 1.0393253847473016
Energy: 1.298443488435883
Energy: 1.039325384746338
Energy: 1.9778416258752745
Energy: 1.036391424580912
Energy: 1.036642096600614
Energy: 1.0363914245799026
Energy: 1.9676155196821354
Energy: 1.0365908829460828
Energy: 1.0385873297986825
Energy: 1.0365908829460828
Energy: 2.0406892031275263
Energy: 1.051869552498276
Energy: 1.046895889023496
Energy: 1.051869552498276

minimum gb energy = 1.0180132250018061 eV
minimum distance =  2.23550597078621 Angstroms
sigma value = 41


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

Energy: 2.329431365848283
Energy: 0.9941377261654978
Energy: 0.9355164813947474
Energy: 0.9339613102208753
Energy: 2.2293090166058587
Energy: 0.9292937464579916
Energy: 1.1438508428986005
Energy: 0.9292937464563367
Energy: 2.084186508839638
Energy: 0.9289399264096962
Energy: 1.1394479623236764
Energy: 0.9289399264113513
Energy: 1.7177741583550643
Energy: 0.9348727519361445
Energy: 1.5365444039965608
Energy: 0.9348727519328344
Energy: 2.053592827388226
Energy: 0.9277132111823654
Energy: 1.555254342379469
Energy: 0.9277132111831929
Energy: 1.7502776956374688
Energy: 1.2937891369872845
Energy: 1.5489513993915385
Energy: 1.2937891369872845
Energy: 1.7618319294978684
Energy: 1.02464996257001
Energy: 1.8842921834939945
Energy: 1.024649962568355
Energy: 1.729785773674192
Energy: 1.023006943264713
Energy: 1.5783994183360537
Energy: 1.0230069432638855
Energy: 1.3421166100729747
Energy: 1.2930354704531286
Energy: 1.9173607458892399
Energy: 1.2930354704531286
Energy: 1.346616492500615
Energy: 0.927728480569858
Energy: 2.076265107710638
Energy: 0.927728480569858
Energy: 1.143745180640878
Energy: 0.9361373296768457
Energy: 2.0739006226927974
Energy: 0.9361373296776732
Energy: 1.1325437734882196
Energy: 0.9291508920757787
Energy: 2.239204526919719
Energy: 0.9291508920749512
Energy: 1.1497943040865946
Energy: 0.9316124308872294
Energy: 2.2378753081761484
Energy: 0.9316124308864018
Energy: 0.9295713148647509
Energy: 0.9357073317113475
Energy: 1.882304162892867
Energy: 0.9357073317038997
Energy: 0.9325824182072592
Energy: 0.9293617324773055
Energy: 2.053346770988099
Energy: 0.929361732478133
Energy: 0.9373288627833537
Energy: 0.9309693753560742
Energy: 2.0907846977717055
Energy: 0.9309693753585565
Energy: 1.1516600563076531
Energy: 0.9339235513470545
Energy: 2.0460544710953825
Energy: 0.9339235513470545
Energy: 1.1309545322782728
Energy: 0.9276785175835304
Energy: 2.051319135934779
Energy: 0.9276785175827029
Energy: 1.1296364153399574
Energy: 0.932301124060828
Energy: 1.7267237413203884
Energy: 0.9323011240583455
Energy: 1.5379763087053135
Energy: 0.9307821257966253
Energy: 1.7240727131973406
Energy: 0.9307821257949703
Energy: 1.575756380663958
Energy: 0.9312057471676186
Energy: 1.886215269332087
Energy: 0.9312057471659636
Energy: 1.5391849178515369
Energy: 0.9315342521189242
Energy: 1.7637301309112425
Energy: 0.9315342521271993
Energy: 1.9176828480575405
Energy: 1.01947346194549
Energy: 1.7480710572220763
Energy: 1.01947346194549
Energy: 1.5380976797712327
Energy: 1.020859255888979
Energy: 1.5404967637910887
Energy: 1.020859255890634
Energy: 1.8851948960997593
Energy: 0.9299283981423658
Energy: 1.3309807441031254
Energy: 0.9299283981407109
Energy: 1.9216977792611205
Energy: 0.930219194658112
Energy: 1.5525136472954577
Energy: 0.9302191946564569
Energy: 1.9260470559936893
Energy: 0.9327458308398483
Energy: 1.1474902625524281
Energy: 0.9327458308406757
Energy: 2.0526140054672934
Energy: 1.1315250975595523
Energy: 1.129100790885481
Energy: 1.131525097707679
Energy: 1.884948700046392
Energy: 0.9371278044856796
Energy: 1.1431080879050945
Energy: 0.9371278044856796
Energy: 1.891623459124707
Energy: 0.9346259450295803
Energy: 0.9292298772100429
Energy: 0.9346259450295803
Energy: 2.2195088096668725
Energy: 0.9292764639451851
Energy: 0.9314942189293108
Energy: 0.9292764639443577
Energy: 2.046575701428871
Energy: 0.936460572024182
Energy: 0.9295646040825262
Energy: 0.9364605720250097

minimum gb energy = 0.9276785175827029 eV
minimum distance =  2.24765821321724 Angstroms
sigma value = 15


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

Energy: 2.0232110269720125
Energy: 0.9160126686134069
Energy: 0.8602255985508899
Energy: 0.8629701935273321
Energy: 2.274066700522138
Energy: 0.8589882651782662
Energy: 1.034201123368508
Energy: 0.8589882651789672
Energy: 2.1509746578799516
Energy: 0.8569247946115971
Energy: 1.0333353911013272
Energy: 0.8569247946151023
Energy: 1.8814891280585129
Energy: 0.8618663445928773
Energy: 1.3930353429804783
Energy: 0.8618663445942794
Energy: 1.9888544568722617
Energy: 0.8536756388086718
Energy: 1.3878090009936943
Energy: 0.8536756388058677
Energy: 1.862572347781145
Energy: 0.8611545640188271
Energy: 1.375979663436584
Energy: 0.8611545640223323
Energy: 1.5496767487066332
Energy: 0.8559410259727277
Energy: 1.6929495584394687
Energy: 0.8559410259699237
Energy: 1.702572769593286
Energy: 0.9400797678803985
Energy: 1.3975334411326445
Energy: 0.9400797678796976
Energy: 1.56698246354195
Energy: 0.9322431337594181
Energy: 1.7106657232499909
Energy: 0.9322431337594181
Energy: 1.5647349367712153
Energy: 0.9331608204579219
Energy: 2.0008076405275217
Energy: 0.9331608204586229
Energy: 1.3794936569274063
Energy: 0.8568668331561937
Energy: 1.8121775992187372
Energy: 0.8568668331575957
Energy: 1.1973993732224104
Energy: 0.8544194667640876
Energy: 2.000978726209255
Energy: 0.8544194667640876
Energy: 1.3889934167562452
Energy: 0.8555745944501435
Energy: 2.0044237642821896
Energy: 0.8555745944501435
Energy: 1.0339770213764627
Energy: 0.862419149522524
Energy: 1.7001142659134314
Energy: 0.862419149521823
Energy: 1.026673882666022
Energy: 0.8546114331628151
Energy: 2.2634247691556766
Energy: 0.854611433161413
Energy: 1.0485157582069486
Energy: 0.8600547312423222
Energy: 2.009213311643921
Energy: 0.8600547312409201
Energy: 0.8558329059640853
Energy: 0.8628814035323811
Energy: 1.9843192013119222
Energy: 0.86288140353168
Energy: 0.8552257183025627
Energy: 0.8562191596650144
Energy: 2.117640978391017
Energy: 0.8562191596650144
Energy: 0.8560506398872353
Energy: 0.8598473157093196
Energy: 1.8653008365080503
Energy: 0.8598473157093196
Energy: 1.0336586575583107
Energy: 0.8583806005816279
Energy: 2.120953870471315
Energy: 0.8583806005795249
Energy: 1.0228818573883214
Energy: 0.8550979479583193
Energy: 2.1192535168647724
Energy: 0.8550979479583193
Energy: 1.0227817320360426
Energy: 0.8609850719944233
Energy: 1.8733706239198062
Energy: 0.8609850719958254
Energy: 1.3772496665134444
Energy: 0.8557860145917696
Energy: 1.8579615661932158
Energy: 0.8557860145938728
Energy: 1.383426221784253
Energy: 0.8583927336795634
Energy: 1.977274829081945
Energy: 0.8583927336830685
Energy: 1.393454403228874
Energy: 0.8624902150787982
Energy: 1.598497048298452
Energy: 0.8624902150794993
Energy: 1.7159770688391731
Energy: 0.932798028780378
Energy: 1.9888741362547468
Energy: 0.932798028779677
Energy: 1.3732719070236643
Energy: 0.9329550141198566
Energy: 1.7013236540093122
Energy: 0.9329550141191556
Energy: 1.7025468210692145
Energy: 0.9339361848088854
Energy: 1.6001961080800249
Energy: 0.9339361848081844
Energy: 1.7202037184203225
Energy: 0.8617910417749161
Energy: 1.6934604866523633
Energy: 0.8617910417749161
Energy: 1.7134502986579836
Energy: 0.8551972753414548
Energy: 1.3770063529892664
Energy: 0.8551972753428567
Energy: 1.9880948019568405
Energy: 0.8535119439321015
Energy: 1.1975529670252931
Energy: 0.8535119439299984
Energy: 1.7016745318334652
Energy: 0.8610281304409608
Energy: 1.39058717093321
Energy: 0.8610281304437011
Energy: 2.005421385541311
Energy: 0.8576140877324795
Energy: 1.0348440345627319
Energy: 0.8576140877324795
Energy: 2.122516754352574
Energy: 0.8583040899350155
Energy: 1.037823572678546
Energy: 0.8583040899364175
Energy: 2.2435059112151143
Energy: 0.8679260629211099
Energy: 0.9193526995441543
Energy: 0.8679260629225118
Energy: 2.2807282837816527
Energy: 0.8573943682623527
Energy: 0.8627589647075619
Energy: 0.8573943682616516
Energy: 2.144876004405226
Energy: 0.8579466548212865
Energy: 0.8644926937718911
Energy: 0.8579466548219876

minimum gb energy = 0.8535119439299984 eV
minimum distance =  2.24336634982779 Angstroms
sigma value = 85


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

Energy: 2.1568014899357073
Energy: 0.8730182975801959
Energy: 0.7786335478335978
Energy: 0.7754222144743353
Energy: 2.1484364155329265
Energy: 0.777159948728382
Energy: 0.9217969077958097
Energy: 0.7771599487277738
Energy: 1.9234878730710354
Energy: 0.7764050076342187
Energy: 0.9210119200718402
Energy: 0.7764050076342187
Energy: 1.6601988161347148
Energy: 0.7748753127114952
Energy: 1.234301736641924
Energy: 0.7748753127114952
Energy: 2.029146488322125
Energy: 0.77490779651618
Energy: 1.2412703018502096
Energy: 0.7749077965149639
Energy: 1.6625764750255332
Energy: 0.775171043532505
Energy: 1.2348211925821628
Energy: 0.775171043532505
Energy: 1.6608753542477905
Energy: 0.7752360075860194
Energy: 1.5197516609320723
Energy: 0.7752360075854116
Energy: 1.7807998047939482
Energy: 0.7750684117759084
Energy: 1.2439151732021003
Energy: 0.7750684117746923
Energy: 1.663696545365734
Energy: 0.7746363187054882
Energy: 1.5352027417994638
Energy: 0.7746363187060964
Energy: 1.6677033676384139
Energy: 1.1151936826724247
Energy: 1.795980439973505
Energy: 1.1151936826724247
Energy: 1.5187318156517957
Energy: 0.774575737916322
Energy: 1.6010937897620063
Energy: 0.774575737915714
Energy: 1.4054393670893217
Energy: 0.7753791391934416
Energy: 1.7965381473761293
Energy: 0.7753791391934416
Energy: 1.5314235251327928
Energy: 0.7748289043181077
Energy: 1.7942480338180797
Energy: 0.7748289043174998
Energy: 1.2339613090703336
Energy: 0.7753756752224824
Energy: 1.542418124776388
Energy: 0.7753756752224824
Energy: 1.0677402206282618
Energy: 0.7746061437587553
Energy: 2.027333714884218
Energy: 0.7746061437593632
Energy: 1.2372058919515863
Energy: 0.7771317400077887
Energy: 1.794068035434185
Energy: 0.7771317400090046
Energy: 0.9307294059530478
Energy: 0.7788656671272824
Energy: 1.7820777378593062
Energy: 0.7788656671266744
Energy: 0.9212727652226355
Energy: 0.7751220289972316
Energy: 2.1501781345400954
Energy: 0.7751220289978398
Energy: 0.9309151998017497
Energy: 0.7751378737300327
Energy: 2.0215091627474315
Energy: 0.7751378737294248
Energy: 0.7756869622808046
Energy: 0.7756472543594046
Energy: 2.0214115133750097
Energy: 0.7756472543594046
Energy: 0.77618146059987
Energy: 0.7753415209112815
Energy: 2.150946304621727
Energy: 0.7753415209112815
Energy: 0.7757278658024033
Energy: 0.775938448296759
Energy: 1.8993324162172425
Energy: 0.7759384482973671
Energy: 0.931564758218194
Energy: 0.7752301853222304
Energy: 2.1441996667481673
Energy: 0.7752301853216224
Energy: 0.9248645709922104
Energy: 0.7750321733983745
Energy: 2.151013268780124
Energy: 0.7750321733989827
Energy: 0.9221249718912983
Energy: 0.775002904766914
Energy: 1.7809693852383972
Energy: 0.775002904767522
Energy: 1.2430501065082127
Energy: 0.7753262603067309
Energy: 2.1785517354244557
Energy: 0.7753262603061231
Energy: 1.2413301808526704
Energy: 0.7749103308081338
Energy: 1.9245882641898209
Energy: 0.7749103308081338
Energy: 1.5180259777491396
Energy: 0.7758568337738883
Energy: 1.78534634947269
Energy: 0.7758568337732804
Energy: 1.5369451287682099
Energy: 0.7754439186751727
Energy: 1.9167417611424478
Energy: 0.7754439186739568
Energy: 1.5342984673833668
Energy: 0.7762564530812204
Energy: 1.6639684504138945
Energy: 0.7762564530787884
Energy: 1.7817112933538404
Energy: 1.1218194136096566
Energy: 1.4207969758070556
Energy: 1.1218194136096566
Energy: 1.5326190523035328
Energy: 0.7747651436401376
Energy: 1.6673604583115067
Energy: 0.7747651436389217
Energy: 1.7959095877031048
Energy: 0.776073972207762
Energy: 1.4003737239816625
Energy: 0.7760739720102436
Energy: 2.037243473929309
Energy: 0.7755605536368783
Energy: 1.4017410687165226
Energy: 0.7755605536708988
Energy: 1.5981342239084364
Energy: 0.7766033939950325
Energy: 1.2334097223616305
Energy: 0.7766033939944246
Energy: 2.0521983260941625
Energy: 0.7744691545948473
Energy: 1.2411364325899528
Energy: 0.7744691545942393
Energy: 2.050651790023399
Energy: 0.7753864919886524
Energy: 1.2403353867882567
Energy: 0.7753864919886524
Energy: 1.7920088269417678
Energy: 0.7748784938121059
Energy: 0.9220960554543599
Energy: 0.7748784938108899
Energy: 2.2915577614808225
Energy: 0.7747921860040756
Energy: 0.9234720198609102
Energy: 0.7747921860046836
Energy: 2.022971173595154
Energy: 0.7809384124128282
Energy: 0.9315079283901133
Energy: 0.7809384124128282
Energy: 1.7719780024310081
Energy: 0.7751927059285517
Energy: 0.7755622569379012
Energy: 0.7751927059285517
Energy: 2.1508686167339217
Energy: 0.7757357870846088
Energy: 0.7756113389103533
Energy: 0.7757357870840008
Energy: 1.9005298028855298
Energy: 0.7756075054317992
Energy: 0.7753618927104392
Energy: 0.7756075054317992

minimum gb energy = 0.7744691545942393 eV
minimum distance =  2.24924792681562 Angstroms
sigma value = 113


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

Energy: 0.020466031024695058
Energy: 0.021639880255962637
Energy: 1.7016339084537413
Energy: 0.7594247527546526
Energy: 0.021657146659984354
Energy: 0.17753375755543507
Energy: 1.1183086595679121
Energy: 0.17753375755543507
Energy: 0.021244220416456593
Energy: 0.1748846007733486
Energy: 1.1158278283299277
Energy: 0.1748846007733486
Energy: 0.023114916590586634
Energy: 0.17527485042505447
Energy: 1.112577522970797
Energy: 0.17527485042598925
Energy: 1.117405743964932
Energy: 0.17507086957543422
Energy: 1.1166319885949838
Energy: 0.17507086957636903
Energy: 0.02109849099852634
Energy: 0.17455626553750025
Energy: 1.1158046177782552
Energy: 0.17455626553791573

minimum gb energy = 0.020466031024695058 eV
minimum distance =  2.45865493132143 Angstroms
sigma value = 1