Model name: model_name=MEAM_LAMMPS_AlmyrasSangiovanniSarakinos_2019_NAlTi__MO_958395190627_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0469995588064185
cohesive_energy=3.357264043064316
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.1664952880274798e-19, 2.7606144274473597e-19, 3.1818426862922997e-19, 3.5114104199061e-19, 3.7820180533887e-19, 4.01053650669612e-19, 4.20693131849184e-19, 4.37769130414356e-19, 4.527254492927459e-19, 4.65882523811154e-19, 4.774806804646799e-19, 4.87704169566234e-19, 4.967019935427779e-19, 5.0458950911196e-19, 5.11466051225088e-19, 5.17410126537228e-19, 5.22489026467008e-19, 5.26762031549886e-19, 5.30278809261516e-19, 5.3308261837101595e-19, 5.35208706764334e-19, 5.36693924504052e-19, 5.375655085929479e-19, 5.378506960338e-19, 5.375430781200719e-19, 5.365513307836259e-19, 5.34755290776912e-19, 5.32012364379504e-19, 5.28154323044832e-19, 5.22977690340378e-19, 5.16238935417774e-19, 5.076400534230959e-19, 4.96823758966962e-19, 4.83347851298388e-19, 4.6666598818518e-19, 4.46100448911156e-19, 4.2079887550702795e-19, 3.89687809628016e-19, 3.51382970662344e-19, 3.0410594254627197e-19, 2.45515945217526e-19, 1.7250956253604797e-19, 8.089117455038218e-20, -3.5102248091969396e-20, -1.8356137695737998e-19, -3.7625676290519395e-19, -6.31078150012992e-19, -9.762558905718538e-19, -1.4583043766200678e-18, -2.15750707711074e-18, -3.2201827731439197e-18, -4.93041019934088e-18, -7.883029474606799e-18, -1.345033692949536e-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: 0.012654004177965979
Energy: 0.01308603483332766
Energy: 0.12583792773564786
Energy: 0.5582592294578324
Energy: 0.3591581198502245
Energy: 0.3034289378955635
Energy: 0.013097638181159839
Energy: 0.027937274135508963
Energy: 0.35589431797506416
Energy: 0.035205238837151626
Energy: 0.419883822042663
Energy: 0.3555045931235663
Energy: 0.013238630678276972
Energy: 0.20927400443282182
Energy: 0.013082894474185622
Energy: 0.44620025638197924
Energy: 0.11276974488847594
Energy: 0.41819306468369216
Energy: 0.33857053365475603
Energy: 0.30099712599840717
Energy: 0.20861332447518224
Energy: 0.014404552570917802
Energy: 0.45289740326628014
Energy: 0.12627803292549925
Energy: 0.5579009726224178
Energy: 0.35986880901948687
Energy: 0.30381826713345766
Energy: 0.013053452555789916
Energy: 0.24250140055327887
Energy: 0.35561573675116326
Energy: 0.03560389747901264
Energy: 0.4226787262176952
Energy: 0.43557650519654995
Energy: 0.016033934009236885
Energy: 0.21140766030390618
Energy: 0.012933510641751331
Energy: 0.4468463970602967
Energy: 0.11277321057686956
Energy: 0.4181230428025923
Energy: 0.35455790017599675
Energy: 0.30092389568607164
Energy: 0.20814509022774846

minimum gb energy = 0.012654004177965979 eV
minimum distance =  2.63530495752569 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

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Energy: 0.5028965924585428
Energy: 0.46856822909851176
Energy: 0.47974741693053685
Energy: 0.5150397578597606
Energy: 0.4799809776943885
Energy: 0.46959553805822235
Energy: 0.4367253541994137
Energy: 0.46639949384863544
Energy: 0.45963068135786994
Energy: 0.5007553285820663
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Energy: 0.4535072930901606
Energy: 0.48419576815602366
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Energy: 0.4818367520941756
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Energy: 0.5049514061797108
Energy: 0.47708106670975325
Energy: 0.49713600811140635
Energy: 0.4595795975279921
Energy: 0.499824261131629
Energy: 0.46690587478548695
Energy: 0.4787744755422263
Energy: 0.46556152765422626
Energy: 0.48315655967836263
Energy: 0.499365841000955
Energy: 0.474738389869271
Energy: 0.5068352469582242
Energy: 0.4547436722036294
Energy: 0.49916603070451304
Energy: 0.46254306571740433
Energy: 0.4767683810739496
Energy: 0.5217601906832363
Energy: 0.5022182855910743
Energy: 0.4655598348315782
Energy: 0.5328859869969524
Energy: 0.5014555356356344
Energy: 0.5045823347311283
Energy: 0.49551157837807863
Energy: 0.417170024575454
Energy: 0.45696136495763645
Energy: 0.50005315433734
Energy: 0.4995641702256184
Energy: 0.5127250763031298
Energy: 0.47768537637395514
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Energy: 0.4700375922577578
Energy: 0.4778376542182507
Energy: 0.46156528134564767
Energy: 0.46130238398056206

minimum gb energy = 0.401294416781289 eV
minimum distance =  2.43373448789877 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.4348363833190505
Energy: 0.4415057951096148
Energy: 0.4964288350839949
Energy: 0.48962677190334797
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Energy: 0.45165212508601027
Energy: 0.46965105574809807
Energy: 0.4722718114023343
Energy: 0.47259082092306365
Energy: 0.5007716929812049
Energy: 0.4628043987206622
Energy: 0.41729207289073894
Energy: 0.4790622174953585
Energy: 0.4920715916804834
Energy: 0.45798460224243437
Energy: 0.48350274789519637
Energy: 0.4980664613494058
Energy: 0.4767210403895667
Energy: 0.45915128934547994
Energy: 0.4301257401162732
Energy: 0.4942732634062894
Energy: 0.49134404920842567
Energy: 0.4717109556186503
Energy: 0.4381820858994118
Energy: 0.49691862725243036
Energy: 0.4492294671977893
Energy: 0.4381496774905379
Energy: 0.5060873290081319
Energy: 0.5197292607880429
Energy: 0.45559920510900725
Energy: 0.4422065365353052
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Energy: 0.4665867958004839
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Energy: 0.4865202345558704
Energy: 0.4376438763356957
Energy: 0.43356866352775963
Energy: 0.4457651004970088
Energy: 0.5084515284201273
Energy: 0.5246877762217516
Energy: 0.4707640544153693
Energy: 0.47728428651055915
Energy: 0.4717278427464255
Energy: 0.44330961890397363
Energy: 0.4457350049264365
Energy: 0.49353761979505334
Energy: 0.4215517780745137
Energy: 0.5312532747887165
Energy: 0.4286103225233687
Energy: 0.4108601603235945
Energy: 0.4515591378059836
Energy: 0.4371667425495423
Energy: 0.5007310335593316
Energy: 0.5068544222745768
Energy: 0.5025302727612435
Energy: 0.5062476512896361
Energy: 0.39994796781450015
Energy: 0.4371747509491039
Energy: 0.5031478433832831
Energy: 0.45590012094055143
Energy: 0.49645159819284596
Energy: 0.4770907317695895
Energy: 0.4715556178355277
Energy: 0.4372410165901202
Energy: 0.47525504498673027
Energy: 0.45107119891945097
Energy: 0.4533847698445594
Energy: 0.48584777809085467
Energy: 0.47465378615949405
Energy: 0.491569199371999
Energy: 0.4738190704936814
Energy: 0.4677953923122452
Energy: 0.5207701029858973
Energy: 0.4609185735742635
Energy: 0.4011547334206178
Energy: 0.42426935419668615
Energy: 0.49336218773873847
Energy: 0.5506623326231138
Energy: 0.47055815630212905
Energy: 0.5004997455429598
Energy: 0.46067662312108687
Energy: 0.43406038163336963
Energy: 0.479306991068119
Energy: 0.502331113445922
Energy: 0.47177411601850106
Energy: 0.4830343683106405
Energy: 0.5037966765849868
Energy: 0.4651439075924702
Energy: 0.40711684118289654
Energy: 0.4318632869126474
Energy: 0.49348045752273295
Energy: 0.49783794960099986
Energy: 0.47949723261818916
Energy: 0.4741799090430331
Energy: 0.46810508595620304
Energy: 0.4696564935609858
Energy: 0.44255941904965795
Energy: 0.4870690517623553
Energy: 0.49873158119373884
Energy: 0.46956806875604634
Energy: 0.4564663820318544
Energy: 0.46387275387941057
Energy: 0.44470073456789055
Energy: 0.5158358524858943
Energy: 0.5053819607278462
Energy: 0.4425784802005936
Energy: 0.44888058639156275
Energy: 0.45009686396634296
Energy: 0.4776959828619753
Energy: 0.4983361512858651
Energy: 0.4465668104451039
Energy: 0.47276269695603446
Energy: 0.4239579575319377
Energy: 0.44225827280276514
Energy: 0.5338564685600643
Energy: 0.4630940854524356
Energy: 0.4274375862466021
Energy: 0.5058549512515871
Energy: 0.43547993983015987
Energy: 0.4048983354309858

minimum gb energy = 0.39874965290366304 eV
minimum distance =  2.48581934444023 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 0.43930337619282434
Energy: 0.43327960332714854
Energy: 0.4190854662557663
Energy: 0.4496897599865171
Energy: 0.39362798997714216
Energy: 0.4671769372584572
Energy: 0.4393734893548453
Energy: 0.4582351252454932
Energy: 0.517180754964492
Energy: 0.4559774638594483
Energy: 0.4333810194848527
Energy: 0.4164110642617456
Energy: 0.4191816415193884
Energy: 0.45663029123454174
Energy: 0.49620952042450245
Energy: 0.46489062400652
Energy: 0.4523656862595278
Energy: 0.4408543149293398
Energy: 0.4085560314291549
Energy: 0.42787382854594236
Energy: 0.4385016124884836
Energy: 0.4559084156809675
Energy: 0.44867578853981627
Energy: 0.4632055959255577
Energy: 0.4607825906578081
Energy: 0.4584333474423277
Energy: 0.45191911268495116
Energy: 0.47428111342989465
Energy: 0.4547679337217324
Energy: 0.4655989830142431
Energy: 0.44201756305563034
Energy: 0.437251008903215
Energy: 0.45661887816683006
Energy: 0.43835272747511783
Energy: 0.46263899955949916
Energy: 0.45639017875146715
Energy: 0.4655894070566171
Energy: 0.4347017085099114
Energy: 0.420135760215613
Energy: 0.44540903342163735
Energy: 0.4601561258788165
Energy: 0.4550734055758372
Energy: 0.4721270040929869
Energy: 0.46276478475659855
Energy: 0.4055203374351841
Energy: 0.4603599634540836
Energy: 0.45699694100693367
Energy: 0.4430194739600965
Energy: 0.4602767766895519
Energy: 0.4440502248687569
Energy: 0.4600648220106649
Energy: 0.4439984852982237
Energy: 0.43338091961603314
Energy: 0.4356764582192781
Energy: 0.4835244084321556
Energy: 0.44726296916389136
Energy: 0.4520689525419398
Energy: 0.4680050871607801
Energy: 0.47234361258388696
Energy: 0.4560929482744884
Energy: 0.4408836732786
Energy: 0.4757597142260869
Energy: 0.41595939324603065
Energy: 0.45843130524738895
Energy: 0.45741168764013646
Energy: 0.4573870491535479
Energy: 0.4005792873467546
Energy: 0.4507754507522328
Energy: 0.4409947726305599
Energy: 0.4607743231105256
Energy: 0.4513227868248115
Energy: 0.45915995476416127
Energy: 0.45267521445714387
Energy: 0.4732899534975751
Energy: 0.44295551894996144
Energy: 0.4605312579358919
Energy: 0.4646252128797055
Energy: 0.4417983752215942
Energy: 0.46677366896841627
Energy: 0.442256520185957
Energy: 0.4198787008505574
Energy: 0.4731168436328636
Energy: 0.4393781611782633
Energy: 0.4927622357736939
Energy: 0.44287304871088384
Energy: 0.442020956420798
Energy: 0.42700761080481575
Energy: 0.4475379829681746
Energy: 0.46407064518168906
Energy: 0.4578781268402754
Energy: 0.4518556299634777
Energy: 0.44513540514981753
Energy: 0.4521665498995291
Energy: 0.40212219766019036
Energy: 0.4262412080295492
Energy: 0.43909123520136084
Energy: 0.4353303020090832
Energy: 0.45245551950342805
Energy: 0.45503295799302423
Energy: 0.44382966271060226
Energy: 0.417698220436755
Energy: 0.47672422363553363
Energy: 0.43946236656132454
Energy: 0.4540677390552691
Energy: 0.4477735229439109
Energy: 0.4292932039661019
Energy: 0.4468551352711807
Energy: 0.46267509632252585
Energy: 0.4023546801573639
Energy: 0.4773478955261288
Energy: 0.45393342209621296
Energy: 0.4787261534009851
Energy: 0.47077509399113665
Energy: 0.4664667380048883
Energy: 0.4642452510648727
Energy: 0.45113399670458887
Energy: 0.42895652504613097
Energy: 0.4437118808501533
Energy: 0.4634703108775292
Energy: 0.43170061224422823
Energy: 0.4535479274701388
Energy: 0.4691364216461447
Energy: 0.3825232446562698
Energy: 0.4647193480054816
Energy: 0.4587007969924389
Energy: 0.4378505495056231
Energy: 0.449685529025617
Energy: 0.4789548239070073
Energy: 0.43705067462458136
Energy: 0.4397252849180534
Energy: 0.4590525707995869
Energy: 0.4555551084597463
Energy: 0.4300388849457505
Energy: 0.45266856300369773
Energy: 0.5085062703862528
Energy: 0.45294028347896403
Energy: 0.429909509435484
Energy: 0.41525542800752824
Energy: 0.43648629757732976
Energy: 0.44511382253870924
Energy: 0.4432081367999103
Energy: 0.474631808536788
Energy: 0.4445945100697116
Energy: 0.48009656304948817
Energy: 0.4277275388573318
Energy: 0.4392454464563336
Energy: 0.42178012384458874
Energy: 0.4564241603383168
Energy: 0.4208499709841408
Energy: 0.4630737342374584
Energy: 0.4096008707113124
Energy: 0.4551161709838965
Energy: 0.42213118185621223
Energy: 0.44867303714768375
Energy: 0.44819487042974765
Energy: 0.4689967633335548
Energy: 0.44250127992383415
Energy: 0.4681480454533541
Energy: 0.47091407471291985
Energy: 0.4476092998469432
Energy: 0.44304835722003394
Energy: 0.4582883074967414
Energy: 0.4163085090496613
Energy: 0.4645155975732208
Energy: 0.3984033266132511
Energy: 0.4259317122187922
Energy: 0.44840634241961075
Energy: 0.4586815462971549
Energy: 0.45151121018226253
Energy: 0.44890813358017034
Energy: 0.4423187488729729
Energy: 0.4593664760425737
Energy: 0.43158904665175674
Energy: 0.4349688576712306
Energy: 0.4206019922207626
Energy: 0.43423820046590794
Energy: 0.49288178509231256
Energy: 0.42121842055762027
Energy: 0.44150913695559785
Energy: 0.43165728924715163
Energy: 0.47183567470964144
Energy: 0.4465087852032058
Energy: 0.45075427614791247
Energy: 0.4392162134956268
Energy: 0.433668300522883
Energy: 0.4533733380078115
Energy: 0.4809318575044728
Energy: 0.42419292194287506
Energy: 0.4424773677163327
Energy: 0.4540800516484397
Energy: 0.4247092663586111
Energy: 0.4303212174123034
Energy: 0.3995833965869124
Energy: 0.45808769587511206
Energy: 0.4409515367842251
Energy: 0.4417966095696077
Energy: 0.4484229512146127
Energy: 0.4779215290936407
Energy: 0.4648552227545656
Energy: 0.45652602250561836
Energy: 0.4328442514313232
Energy: 0.43676519091515487
Energy: 0.4625769165433951
Energy: 0.4418533006751032
Energy: 0.46323246127958834
Energy: 0.45884522672070727
Energy: 0.4060485206082693
Energy: 0.4474632209926751
Energy: 0.4499768171035563
Energy: 0.4430587503433904
Energy: 0.450046756109789
Energy: 0.45722588424648974
Energy: 0.4680190967115667
Energy: 0.44695969309243594
Energy: 0.4369171965247629
Energy: 0.42563334566150385
Energy: 0.4388163032816537
Energy: 0.46039306638355026
Energy: 0.46159224308051666
Energy: 0.4288841073051662
Energy: 0.438944050380944
Energy: 0.4442306460213264
Energy: 0.46521015864814175
Energy: 0.43585444808041507
Energy: 0.4428076291731544
Energy: 0.4185117643137151
Energy: 0.43308478304641757
Energy: 0.4715873991841746
Energy: 0.46382118309284875
Energy: 0.45801038785545667
Energy: 0.4660046258319431
Energy: 0.440000520422975
Energy: 0.4737131681906752
Energy: 0.4618539849535597
Energy: 0.37906791103934245
Energy: 0.434162160124141
Energy: 0.4416241883941804
Energy: 0.4356901508035543
Energy: 0.4501676880751193
Energy: 0.4459521403828295
Energy: 0.43176967550002976
Energy: 0.44316265054674786
Energy: 0.429609412355364
Energy: 0.43354177018825324
Energy: 0.447123392832804
Energy: 0.4385990825831418
Energy: 0.4795526856610032
Energy: 0.44157095296459625
Energy: 0.4192070212847099
Energy: 0.46929128002224996
Energy: 0.4610777054725232
Energy: 0.44590240447401996

minimum gb energy = 0.37906791103934245 eV
minimum distance =  2.39606006421163 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.34093628635191275
Energy: 0.3090280777582344
Energy: 0.5315531685468059
Energy: 0.4458487471651544
Energy: 0.4874945556865574
Energy: 0.5051918123090134
Energy: 0.30861028672591523
Energy: 0.31388065776321555
Energy: 0.45232948963304487
Energy: 0.47559958812091047
Energy: 0.4736371987785212
Energy: 0.39878038695942486
Energy: 0.39024689371821775
Energy: 0.34300088082095465
Energy: 0.5262010164435508
Energy: 0.42243124674455623
Energy: 0.48845767454131056
Energy: 0.4485779859425046
Energy: 0.426109254145881
Energy: 0.42388622352304406
Energy: 0.3696997056223179
Energy: 0.39640375159087654
Energy: 0.49425578091534783
Energy: 0.48155044694070875
Energy: 0.4247801096153007
Energy: 0.4785456492528068
Energy: 0.4861799646832222
Energy: 0.4313331374182351
Energy: 0.4345128770846146
Energy: 0.41817478855774015
Energy: 0.4844994415355715
Energy: 0.42907600320294076
Energy: 0.5256900792899819
Energy: 0.4576210033257696
Energy: 0.3261610580599674
Energy: 0.32839354021846867
Energy: 0.40734031598395076
Energy: 0.48305405918976596
Energy: 0.4639174067333258
Energy: 0.43332185148124086
Energy: 0.39054906109394066
Energy: 0.42921376908947656
Energy: 0.3966383278593408
Energy: 0.4099980913671823
Energy: 0.4847652563015672
Energy: 0.521184908325133
Energy: 0.3070223061264229
Energy: 0.32791793660407537
Energy: 0.3845753010368553
Energy: 0.34135247991528295
Energy: 0.4670346295610988
Energy: 0.51474699650396
Energy: 0.4581766921468951
Energy: 0.48498084684864495
Energy: 0.49157556894020044
Energy: 0.3250991832551073
Energy: 0.34117986547290874
Energy: 0.4669254868533249
Energy: 0.511871845208398
Energy: 0.4840235880989973
Energy: 0.45316550283857365
Energy: 0.5138942161832243
Energy: 0.413403837598372
Energy: 0.3934836693244147
Energy: 0.4480270972620966
Energy: 0.4682533927371789
Energy: 0.48447814114854293
Energy: 0.4255326077285543
Energy: 0.3878534266910563
Energy: 0.3218379762239388
Energy: 0.40742622966739916
Energy: 0.481015816672483
Energy: 0.4963007938994601
Energy: 0.46332413298393005
Energy: 0.40970552683372485
Energy: 0.3980283881404585
Energy: 0.5198484671830171
Energy: 0.43920411270776155
Energy: 0.369069911900041
Energy: 0.5092934473576146
Energy: 0.42184771775114605
Energy: 0.48733080732761674
Energy: 0.4478356462591166
Energy: 0.32653065913159446
Energy: 0.3408123080181362
Energy: 0.4161293807902238
Energy: 0.5062873091965239
Energy: 0.4648502179213782
Energy: 0.4901317657446222
Energy: 0.501487666752749
Energy: 0.4112128296137169
Energy: 0.5580237124904912
Energy: 0.45790569816133403
Energy: 0.5158227410009744
Energy: 0.5196959613710804
Energy: 0.30938557413135936
Energy: 0.31249035931506985
Energy: 0.3587840922789798
Energy: 0.31395039692541693
Energy: 0.4918014964037833
Energy: 0.4831244018919733
Energy: 0.4901465019842859
Energy: 0.32689418782494534
Energy: 0.32923954669940564
Energy: 0.3809698055284394
Energy: 0.3408940054201551
Energy: 0.4439168661255707
Energy: 0.5313295187086301
Energy: 0.4459732507714021
Energy: 0.48246358565187153
Energy: 0.525602174973619
Energy: 0.3086080231617382
Energy: 0.4416505069269172
Energy: 0.4663683261773903
Energy: 0.47526104661211394
Energy: 0.47356528277075477
Energy: 0.4185492153348373
Energy: 0.3903106603415541
Energy: 0.3594465513584984
Energy: 0.5265070987172926
Energy: 0.42208822649225664
Energy: 0.48799256477139924
Energy: 0.4486993761591723
Energy: 0.42629492108941436
Energy: 0.4235507408449289
Energy: 0.36983761665067405
Energy: 0.3963500217764166
Energy: 0.49398601073073817
Energy: 0.4819878364458462
Energy: 0.42385495838894804
Energy: 0.47821191871116464
Energy: 0.4859376924673717
Energy: 0.43150355341547086
Energy: 0.43449774874349656
Energy: 0.4179637471475939
Energy: 0.48465594761628294
Energy: 0.4293805702591182
Energy: 0.525377481970693
Energy: 0.4566000003426698
Energy: 0.4311148212977058
Energy: 0.34213513319882827
Energy: 0.42907202866657695
Energy: 0.5201348555215612
Energy: 0.45881476637929036
Energy: 0.4347980939153334
Energy: 0.32688884613887836
Energy: 0.4284221646733985
Energy: 0.3930099004646338
Energy: 0.4101902345251211
Energy: 0.48516518507840994
Energy: 0.5179840098375323
Energy: 0.30759551258573437
Energy: 0.3278922902184648
Energy: 0.38444332034184603
Energy: 0.34154341601551863
Energy: 0.4292075745270371
Energy: 0.514394296830593
Energy: 0.4402331698385043
Energy: 0.48443479836721065
Energy: 0.49195333522560486
Energy: 0.325034777809763
Energy: 0.3410894978563334
Energy: 0.46686911123562663
Energy: 0.5149021584974764
Energy: 0.48377330960794185
Energy: 0.3993383577280755
Energy: 0.5126245616765118
Energy: 0.41199273112195645
Energy: 0.39322437530064214
Energy: 0.5204329475017279
Energy: 0.46680283159560426
Energy: 0.48060504053939684
Energy: 0.42517681016585007
Energy: 0.38798204044264584
Energy: 0.32185686288201604
Energy: 0.3971617966478368
Energy: 0.4902900484318553
Energy: 0.48566609137413186
Energy: 0.4636096097278011
Energy: 0.4086692198439201
Energy: 0.4724494722850769
Energy: 0.5210166009056046
Energy: 0.4388623855532845
Energy: 0.3673327074797524
Energy: 0.4320021123885597
Energy: 0.4217173663003005
Energy: 0.48972946042650634
Energy: 0.4474758531304104
Energy: 0.3263198529659703
Energy: 0.34081355058425744
Energy: 0.416292305714759
Energy: 0.5040053295247527
Energy: 0.47270892022127614
Energy: 0.4900300439470668
Energy: 0.5010900815091184
Energy: 0.41134889012497067
Energy: 0.5424583639838273
Energy: 0.4569206986957899
Energy: 0.5160513368572568
Energy: 0.519865174597106
Energy: 0.3085462995315056
Energy: 0.3123176942493572
Energy: 0.3588723381225032
Energy: 0.3142914322114815
Energy: 0.49168434423622304
Energy: 0.4827429887301182
Energy: 0.455792220573334
Energy: 0.32700306420513486
Energy: 0.3291588005408318
Energy: 0.3803883014625635

minimum gb energy = 0.3070223061264229 eV
minimum distance =  2.45588759622197 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 0.42793620403933313
Energy: 0.36822828924804046
Energy: 0.5075590174981325
Energy: 0.45889636954175755
Energy: 0.45563128669695596
Energy: 0.47891419297291193
Energy: 0.39250552519629917
Energy: 0.47875832812541563
Energy: 0.40175833614674167
Energy: 0.4578542495382113
Energy: 0.4242857322806733
Energy: 0.4868336637560545
Energy: 0.44823670081066724
Energy: 0.4107088332531466
Energy: 0.5129734029871326
Energy: 0.4561302525039451
Energy: 0.4671446537669041
Energy: 0.47683511848223026
Energy: 0.47996925409024466
Energy: 0.43895887005178336
Energy: 0.4375259824121143
Energy: 0.4812488680149129
Energy: 0.45864888330494086
Energy: 0.3978587350242117
Energy: 0.4767711396457448
Energy: 0.4257996648766866
Energy: 0.4156810734803732
Energy: 0.4406008841699946
Energy: 0.3418588167189046
Energy: 0.36975769654180385
Energy: 0.4047933255563083
Energy: 0.4163629531688505
Energy: 0.4581470253672573
Energy: 0.36679722575016505
Energy: 0.36080358029448256
Energy: 0.3594994124475073
Energy: 0.3642918242112785
Energy: 0.34947402448645565
Energy: 0.42649514172942277
Energy: 0.43023305336294476
Energy: 0.3814048159951524
Energy: 0.45428658959972457
Energy: 0.4514302338380803
Energy: 0.42718519935584154
Energy: 0.4251123127944308
Energy: 0.3868891653932061
Energy: 0.35155326847038026
Energy: 0.3666488498484651
Energy: 0.43808497592014306
Energy: 0.45066701304335266
Energy: 0.3832470069242549
Energy: 0.3694209284490249
Energy: 0.41778769000545274
Energy: 0.43727336915328907
Energy: 0.4506136065455678
Energy: 0.3816038411274268
Energy: 0.41615986693275925
Energy: 0.4463326312101096
Energy: 0.409483717737502
Energy: 0.4639996576474719
Energy: 0.4591488759957931
Energy: 0.5314703602452515
Energy: 0.4189329682303288
Energy: 0.47319681963224847
Energy: 0.3470853822970869
Energy: 0.4539065426525618
Energy: 0.3900862737253487
Energy: 0.430350504654285
Energy: 0.49051996288151634
Energy: 0.43164025219749624
Energy: 0.43296428737051307
Energy: 0.45430950696637634
Energy: 0.44562617404496524
Energy: 0.5078009676093427
Energy: 0.41064008659507356
Energy: 0.39441276726275876
Energy: 0.4461660788151472
Energy: 0.48003067758623646
Energy: 0.45993171124583454
Energy: 0.5334710576726946
Energy: 0.565260728631418
Energy: 0.40222575061216326
Energy: 0.4214289761476161
Energy: 0.396605095815472
Energy: 0.46010853293619186
Energy: 0.44250526824184
Energy: 0.5148156063005974
Energy: 0.418171791280005
Energy: 0.47464381787183746
Energy: 0.46313389855432185
Energy: 0.38693062936190864
Energy: 0.38800487846274734
Energy: 0.4072794168479085
Energy: 0.5221719125382505
Energy: 0.4607186282941199
Energy: 0.455888291144888
Energy: 0.5547102165906731
Energy: 0.4486192114391059
Energy: 0.4993637692285503
Energy: 0.49722081009913643
Energy: 0.4496348537711223
Energy: 0.43744533869902663
Energy: 0.45454900286738903
Energy: 0.45315665423630824
Energy: 0.44268577377909174
Energy: 0.5016220582082986
Energy: 0.502855831294529
Energy: 0.3654184652188235
Energy: 0.4328160421900661
Energy: 0.37747499392071676
Energy: 0.3430003075666504
Energy: 0.4750424938584253
Energy: 0.3812634570376267
Energy: 0.35049788004098736
Energy: 0.4134927240554081
Energy: 0.4276921825468895
Energy: 0.44459371742623394
Energy: 0.42099524835939367
Energy: 0.396215328456952
Energy: 0.353506808148708
Energy: 0.36801528340385736
Energy: 0.4018970012894227
Energy: 0.42285440122438744
Energy: 0.3907039090361011
Energy: 0.5003480348641419
Energy: 0.4596052725541003
Energy: 0.43377466657129593
Energy: 0.4880954693208252
Energy: 0.4208878744877338
Energy: 0.4360102438678634
Energy: 0.36254747458658065
Energy: 0.3593453006515838
Energy: 0.44546726728239266
Energy: 0.47872439793661553
Energy: 0.49931144886407935
Energy: 0.3468116705342614
Energy: 0.45653495340438127
Energy: 0.40944011215525206
Energy: 0.3526676889905764
Energy: 0.4387800773992605
Energy: 0.4133523916949085
Energy: 0.42098079277209743
Energy: 0.47902754221122146
Energy: 0.4234707607630606
Energy: 0.5018911035614202
Energy: 0.4359954569535391
Energy: 0.4217558587235527
Energy: 0.3942223840155721
Energy: 0.3500253325368135
Energy: 0.45121214672498144
Energy: 0.3910308688404324
Energy: 0.4829008430445127
Energy: 0.46530417036233074
Energy: 0.44059803053605673
Energy: 0.4297777346151376
Energy: 0.4367252554935198
Energy: 0.423170160845023
Energy: 0.4287775272558758
Energy: 0.4502647186889899
Energy: 0.413437909927255
Energy: 0.4551927120018833
Energy: 0.49753731414586716
Energy: 0.49377327407402066
Energy: 0.4406988175755072
Energy: 0.5535068658454935
Energy: 0.4082455851674531
Energy: 0.4378768026629597
Energy: 0.44533464874053175
Energy: 0.38811120524098386
Energy: 0.4111317752278517
Energy: 0.5269249813370385
Energy: 0.454904653014562
Energy: 0.47771503930325837
Energy: 0.4848175680432841
Energy: 0.4271457510923118

minimum gb energy = 0.3418588167189046 eV
minimum distance =  2.44019407254699 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.48946081005358383
Energy: 0.4464784833942972
Energy: 0.46357431078962563
Energy: 0.463071923371097
Energy: 0.45860332839935164
Energy: 0.4686753411780243
Energy: 0.47190243817694805
Energy: 0.4882733049489972
Energy: 0.46985483494680663
Energy: 0.4963889376862925
Energy: 0.4857559950307784
Energy: 0.4900464566907713
Energy: 0.49165047677819546
Energy: 0.48910524571175495
Energy: 0.49173336458651007
Energy: 0.4449874513192521
Energy: 0.45781631866889505
Energy: 0.4618533419558216
Energy: 0.44679549735307683
Energy: 0.48332828844428205
Energy: 0.4740413506177417
Energy: 0.4906213567078652
Energy: 0.458340978745549
Energy: 0.4366930977008423
Energy: 0.4301408055050747
Energy: 0.4672545712769161
Energy: 0.45000254022668357
Energy: 0.44606927378183797
Energy: 0.39580487422720373
Energy: 0.5183637224753831
Energy: 0.4750831456045487
Energy: 0.516523749588486
Energy: 0.47682375335562405
Energy: 0.45851004291460434
Energy: 0.49380212881559316
Energy: 0.484413572914095
Energy: 0.42203070088644307
Energy: 0.4481494344404982
Energy: 0.43397222630599824
Energy: 0.4159219956602399
Energy: 0.4394653199498263
Energy: 0.4423210734611157
Energy: 0.4716134276794621
Energy: 0.43805338894308116
Energy: 0.49130887714309857
Energy: 0.4393975229943191
Energy: 0.47214689405326327
Energy: 0.4726616506420624
Energy: 0.437250668146966
Energy: 0.45771680826039257
Energy: 0.4291384032018972
Energy: 0.46449330139105993
Energy: 0.47861170215592125
Energy: 0.4574375768485549
Energy: 0.4849386221883433
Energy: 0.44948093344533624
Energy: 0.4106963260035165
Energy: 0.4184969030720192
Energy: 0.4379022865801784
Energy: 0.45405239617117976
Energy: 0.4101072094253047
Energy: 0.42317726028913333
Energy: 0.4161590880541653
Energy: 0.45770302514679023
Energy: 0.44548293201998995
Energy: 0.45097942888135495
Energy: 0.44813094381551605
Energy: 0.4659708577506784
Energy: 0.4565170478715858
Energy: 0.459808020220841
Energy: 0.43818651061374864
Energy: 0.43758949877851866
Energy: 0.4764210231498453
Energy: 0.45696922318681676
Energy: 0.47084340914427864
Energy: 0.4697898643496987
Energy: 0.4466612477506144
Energy: 0.42247465201846435
Energy: 0.4031902192118413
Energy: 0.41435056672603066
Energy: 0.45715475444430265
Energy: 0.4492422491696796
Energy: 0.41523284067826244
Energy: 0.4200846218597023
Energy: 0.5230181576631437
Energy: 0.42090209408046114
Energy: 0.4416164784222389
Energy: 0.45325364367230664
Energy: 0.42997001959902853
Energy: 0.4567149910764331
Energy: 0.4311507124780443
Energy: 0.4805572642197204
Energy: 0.45718034133706936
Energy: 0.47807212483598466
Energy: 0.4397107536356588
Energy: 0.43364023825631687
Energy: 0.49161226100668554
Energy: 0.44073951273706713
Energy: 0.4329879103340941
Energy: 0.41767003712124495
Energy: 0.45621093067112883
Energy: 0.4092392991296093
Energy: 0.4073628889498725
Energy: 0.47145323442192244
Energy: 0.43229951950452083
Energy: 0.42036698205839423
Energy: 0.48171289866689243
Energy: 0.49905631356725044
Energy: 0.47085751547882027
Energy: 0.4795986227792826
Energy: 0.45258619790960414
Energy: 0.44001773629728846
Energy: 0.45350437408857175
Energy: 0.46695369288015826
Energy: 0.45206165200779974
Energy: 0.4638261326453989
Energy: 0.46745467567055266
Energy: 0.45048400893930496
Energy: 0.4622364149103135
Energy: 0.49911824331114196
Energy: 0.44447823024289185
Energy: 0.48663984669706345
Energy: 0.40622184061561545
Energy: 0.41504905269582826
Energy: 0.48655778736467586
Energy: 0.4581130324526528
Energy: 0.4884273612076764
Energy: 0.44255737501492554
Energy: 0.48967921523131663
Energy: 0.5218132479901607
Energy: 0.5293587283941976
Energy: 0.5223949810270303
Energy: 0.4834178949411247
Energy: 0.4414452296642519
Energy: 0.4272721599635321
Energy: 0.4583423609868965
Energy: 0.47557338068792226
Energy: 0.5118885437580944
Energy: 0.46803593328387344
Energy: 0.4659180955032445
Energy: 0.5167368407737696
Energy: 0.44302752370330456
Energy: 0.45189468355434753
Energy: 0.5154646495853045
Energy: 0.48226797460595994
Energy: 0.41456588746109724
Energy: 0.45651086256454526
Energy: 0.4756819087239667
Energy: 0.4799260248253331
Energy: 0.47816978101621005
Energy: 0.5308093884301589
Energy: 0.5007080499635036
Energy: 0.4459756009369766
Energy: 0.4662728519403571
Energy: 0.4682643637504275
Energy: 0.44858865005127607
Energy: 0.4377440000012505
Energy: 0.4697919318088192
Energy: 0.47186438197368696
Energy: 0.4641676517232866
Energy: 0.44960265789969256
Energy: 0.5046665022573068
Energy: 0.46004262523798495
Energy: 0.5116253812956602
Energy: 0.5395067045298113
Energy: 0.5404937683141301
Energy: 0.5199334690871565
Energy: 0.4924892827827848
Energy: 0.538701888676751
Energy: 0.44860525005879703
Energy: 0.4601646814599277
Energy: 0.4638629285639328
Energy: 0.4635381867940956
Energy: 0.4772594790287425
Energy: 0.4472949280557801
Energy: 0.47252658515765017
Energy: 0.46629431984353936
Energy: 0.456480212182311
Energy: 0.446748844060179
Energy: 0.481432616578018
Energy: 0.44903905888184614
Energy: 0.44645029216742693
Energy: 0.41435315718851046
Energy: 0.4934163793887317
Energy: 0.49433007903186055
Energy: 0.47953309817087947
Energy: 0.5083059114283301
Energy: 0.4834016933456182
Energy: 0.4429164663293272
Energy: 0.4844949471415786
Energy: 0.43180036339973416
Energy: 0.5001465148275256
Energy: 0.429570404432929
Energy: 0.40828654850095
Energy: 0.5085820542614391
Energy: 0.42668876740221545
Energy: 0.4863629716650833
Energy: 0.43180925417906435
Energy: 0.48497133742390003
Energy: 0.48634839831519316
Energy: 0.43619298032641707
Energy: 0.4897264745418097
Energy: 0.45006262876277753
Energy: 0.49359736302857893
Energy: 0.4167708778280523
Energy: 0.45346929368802985
Energy: 0.47067301104442777
Energy: 0.45778193693222424
Energy: 0.43894580527990323
Energy: 0.45228590445883127
Energy: 0.4180752485550762
Energy: 0.43891937645887963
Energy: 0.4321933453051789
Energy: 0.43049417794706973
Energy: 0.43650880277512993
Energy: 0.4336904717241633
Energy: 0.4171851313414301
Energy: 0.4599297816164951
Energy: 0.47967602753744526
Energy: 0.47134656353763227
Energy: 0.44016881719012146
Energy: 0.44941504408139116
Energy: 0.46495588981930497
Energy: 0.46102257129193686
Energy: 0.4541306164675233
Energy: 0.4566810296268167
Energy: 0.44629851767164086
Energy: 0.4448243678447992
Energy: 0.4477431104002122
Energy: 0.44759351249491763
Energy: 0.448729400786641
Energy: 0.44068953779161635
Energy: 0.42921294869974047
Energy: 0.40942344687061255
Energy: 0.4400693473655557
Energy: 0.4524490145929993
Energy: 0.4175917125181539
Energy: 0.41009599768454447
Energy: 0.48885242948923907
Energy: 0.4367369317896591
Energy: 0.4513874300932635
Energy: 0.46190462780387687
Energy: 0.4629561392085455
Energy: 0.4688577042958602
Energy: 0.4472129025596554
Energy: 0.4699506995984909
Energy: 0.43831324541942074
Energy: 0.48579395860678426
Energy: 0.42980509445107173
Energy: 0.4441429334664053
Energy: 0.49218224064676414
Energy: 0.4215710818447813
Energy: 0.4426957115543361
Energy: 0.4276999095299034
Energy: 0.4762355498362533
Energy: 0.40910769664703805
Energy: 0.4145211958434171
Energy: 0.4224074270836595
Energy: 0.4289962745345735
Energy: 0.4316893007285906
Energy: 0.4584706514850896
Energy: 0.49400167735445516
Energy: 0.4725097918510919
Energy: 0.49944665768409263
Energy: 0.4746813257735906
Energy: 0.45382309970305895
Energy: 0.4613851856856541
Energy: 0.46157480573328713
Energy: 0.44779122014798645
Energy: 0.4616215720050052
Energy: 0.47627361788782185
Energy: 0.45034520194383393
Energy: 0.4607789887745497
Energy: 0.5090332622363387
Energy: 0.4515560676234458
Energy: 0.45689028637536044
Energy: 0.43492618727035
Energy: 0.4531493976892188
Energy: 0.4783690131018971
Energy: 0.4352795849867534
Energy: 0.4985373016673387
Energy: 0.44266699570678375
Energy: 0.4869764400926777
Energy: 0.5139875387157161
Energy: 0.5297439915116812
Energy: 0.5055278489638202
Energy: 0.480992795521756
Energy: 0.48536841659270696
Energy: 0.4249582052308832
Energy: 0.4393769007399758
Energy: 0.4573020370926754
Energy: 0.505590697450924
Energy: 0.47495582581261786
Energy: 0.47102694419828167
Energy: 0.480481004278814
Energy: 0.48418459162345595
Energy: 0.4455177245044073
Energy: 0.5329987005789177
Energy: 0.4666740899134371
Energy: 0.44952116858133995
Energy: 0.49349060420311713
Energy: 0.5336967527305972
Energy: 0.4714170440702057
Energy: 0.4397290115307717
Energy: 0.49719427936806276
Energy: 0.4493357778472503
Energy: 0.42530549802943063
Energy: 0.48272177278690775
Energy: 0.4504610752459581
Energy: 0.4418508845025263
Energy: 0.4742417993230415
Energy: 0.46663069231415577
Energy: 0.48805668591134904
Energy: 0.4658319276591084
Energy: 0.4775166065363836

minimum gb energy = 0.39580487422720373 eV
minimum distance =  2.4294600808085 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.5753793956897129
Energy: 0.4876502411684769
Energy: 0.5050866501735553
Energy: 0.5091506759346497
Energy: 0.5098581518568206
Energy: 0.5066585822237734
Energy: 0.48854698006916136
Energy: 0.5522614177765043
Energy: 0.5421007256011021
Energy: 0.4436727382142767
Energy: 0.4426658002890498
Energy: 0.4423809460607818
Energy: 0.44327714232888504
Energy: 0.5086784653422765
Energy: 0.5372266410233204
Energy: 0.499391021279656
Energy: 0.4591393886429582
Energy: 0.4675869486691634
Energy: 0.46538309390937
Energy: 0.4423987803379347
Energy: 0.44249805499323974
Energy: 0.5175847262146133
Energy: 0.49940674634046883
Energy: 0.4571573526029645
Energy: 0.4675639548674723
Energy: 0.4656252820166563
Energy: 0.458698268064975
Energy: 0.4430090513383958
Energy: 0.5520062687372175
Energy: 0.4942990448859762
Energy: 0.4504515932625012
Energy: 0.49459918015344984
Energy: 0.43549789836293035
Energy: 0.4506736788107852
Energy: 0.4963825371531748
Energy: 0.48023128514943103
Energy: 0.48692154762213435
Energy: 0.4983022400193246
Energy: 0.45795942476177853
Energy: 0.4585120912516037
Energy: 0.5069906672372525
Energy: 0.4573404333538223
Energy: 0.5818528160760834
Energy: 0.5424268035273764
Energy: 0.4422699300919272
Energy: 0.4434738418617118
Energy: 0.44321374996520857
Energy: 0.4435198850591377
Energy: 0.5427787701808183
Energy: 0.5600143792382307
Energy: 0.5448047716606981
Energy: 0.4436461641983346
Energy: 0.44252910526414313
Energy: 0.44272980224547054
Energy: 0.4423960948178512
Energy: 0.5433115021153045
Energy: 0.4800679671267748
Energy: 0.4881394622326917
Energy: 0.5008026453730147
Energy: 0.45880908404102216
Energy: 0.4574443460941398
Energy: 0.5002355998634639
Energy: 0.46569557270309214
Energy: 0.558288598748483
Energy: 0.49338157358400475
Energy: 0.45065984073181903
Energy: 0.5245136017307607
Energy: 0.5230214421115045
Energy: 0.4504305703067779
Energy: 0.49794547925818117
Energy: 0.48045141395074276
Energy: 0.4997462695649048
Energy: 0.49800203038451196
Energy: 0.4593014881424005
Energy: 0.4574364649233389
Energy: 0.5005413456778505
Energy: 0.4654330418769835
Energy: 0.5374609879711646
Energy: 0.4916967514997638
Energy: 0.45746644162606087
Energy: 0.44247767090325246
Energy: 0.44231660760241853
Energy: 0.4442523644620195
Energy: 0.5442496999994834
Energy: 0.5363925300140859
Energy: 0.5421702329065995
Energy: 0.44336567177371966
Energy: 0.4432393300137342
Energy: 0.44232145208963786
Energy: 0.44232838259869023
Energy: 0.4971735500891331
Energy: 0.4802585211668201
Energy: 0.48577675817529753
Energy: 0.4899486467725754
Energy: 0.4575700054457808
Energy: 0.45749878731055743
Energy: 0.5068388009928498
Energy: 0.4438472068186114
Energy: 0.5521905836418132
Energy: 0.4993282913376755
Energy: 0.45063557512783065
Energy: 0.4414738337090718
Energy: 0.43525915040652147
Energy: 0.4437204928334261
Energy: 0.496493858403764
Energy: 0.5161426307066772
Energy: 0.49935465657537376
Energy: 0.45930823302855367
Energy: 0.4675988494707519
Energy: 0.46524089460063606
Energy: 0.4429380845474807
Energy: 0.4426164489133319
Energy: 0.5160704447169833
Energy: 0.4992228248478635
Energy: 0.4573157105221029
Energy: 0.467627055813776
Energy: 0.4654419435985681
Energy: 0.4439372515320091
Energy: 0.4426434009574322
Energy: 0.5522383444092005
Energy: 0.4994451021367201
Energy: 0.4404398090856079
Energy: 0.4346731118455865
Energy: 0.44370593863980146
Energy: 0.4425575629411213
Energy: 0.5045444931179767
Energy: 0.47896822648335474
Energy: 0.48688127303990464
Energy: 0.5050533040730805
Energy: 0.4599786367309758
Energy: 0.4588624309895077
Energy: 0.5065206087508586
Energy: 0.4435894629684497
Energy: 0.5360382757723505
Energy: 0.5420721655652223
Energy: 0.4433321641964941
Energy: 0.4422090651910343
Energy: 0.4424525021315178
Energy: 0.44342760282238025
Energy: 0.4978396544703641

minimum gb energy = 0.4346731118455865 eV
minimum distance =  2.47011883775726 Angstroms
sigma value = 23