Model name: model_name=EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
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=3.9946166351437573
cohesive_energy=3.28511992291482
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=[2.58878098345086e-19, 3.1784781153608994e-19, 3.58698509173188e-19, 3.8887871042784596e-19, 4.11756190584732e-19, 4.30099510867398e-19, 4.45099088514906e-19, 4.575143552517719e-19, 4.6786762066068e-19, 4.76557826723496e-19, 4.83966291479112e-19, 4.90801176999756e-19, 4.981391459834759e-19, 5.053265103635999e-19, 5.10791534862174e-19, 5.14788965564004e-19, 5.1788757517416e-19, 5.20353325013886e-19, 5.223111848606339e-19, 5.23826843956398e-19, 5.24948367600198e-19, 5.25712605854616e-19, 5.26151602252332e-19, 5.2629259379612395e-19, 5.261548066056e-19, 5.257013906181779e-19, 5.2491311971425e-19, 5.238092200134239e-19, 5.22497037350178e-19, 5.211239719748399e-19, 5.19462514805382e-19, 5.16889419131178e-19, 5.131595519272259e-19, 5.08319376315912e-19, 5.0234646182436e-19, 4.95122247381654e-19, 4.86486515324394e-19, 4.76298274108788e-19, 4.64961272246604e-19, 4.53821338110402e-19, 4.40282945553102e-19, 4.21963657919946e-19, 3.9959086340277e-19, 3.73190196827718e-19, 3.43332033076494e-19, 3.0751537442342396e-19, 2.65628068504128e-19, 2.2974411843243e-19, 1.8321050027453399e-19, 1.3471597813428538e-19, 1.057688120171538e-19, 1.2599324788579918e-19, 2.92611927373956e-19, 9.455005079055898e-19]
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: -6.30324000329931e-20 eV

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

Energy: 0.012707622678483424
Energy: 0.013080959348421758
Energy: 0.17177075839935457
Energy: 0.40983934088205826
Energy: 0.4063963488698244
Energy: 0.15765105233706325
Energy: 0.01321306494809186
Energy: 0.013103688226561971
Energy: 0.40014824665001086
Energy: 0.1258210674389112
Energy: 0.17334408193696774
Energy: 0.2970585931658816
Energy: 0.013615255196663855
Energy: 0.04604556859716816
Energy: 0.013083514338273232
Energy: 0.30590352089559064
Energy: 0.26818156404060534
Energy: 0.1719936859799797
Energy: 0.29483096199944414
Energy: 0.04760423222451777
Energy: 0.04678756016027019
Energy: 0.014313770678809014
Energy: 0.3100090478165935
Energy: 0.1724134965511868
Energy: 0.40752444655487646
Energy: 0.4071221672156618
Energy: 0.04592739780785178
Energy: 0.01347504269856934
Energy: 0.04514145221208214
Energy: 0.40786923560906974
Energy: 0.12755828053865134
Energy: 0.17371451184338157
Energy: 0.3013091818543439
Energy: 0.01352803278419952
Energy: 0.045999868604229104
Energy: 0.013009299085416877
Energy: 0.3045515071466531
Energy: 0.17106187506125556
Energy: 0.17183308861111693
Energy: 0.3325194529604651
Energy: 0.044989535785827574
Energy: 0.04664176479843924

minimum gb energy = 0.012707622678483424 eV
minimum distance =  2.79609375579143 Angstroms
sigma value = 5


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

Energy: 0.5829196802378412
Energy: 0.6395297179699538
Energy: 0.5683693665681236
Energy: 0.5201043300121644
Energy: 0.56844738375436
Energy: 0.5264620479964679
Energy: 0.6495425237659065
Energy: 0.4931633122312088
Energy: 0.5121811602751372
Energy: 0.49876365422164304
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Energy: 0.4930633293754399
Energy: 0.49669125184045254
Energy: 0.5185545436769752
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Energy: 0.504733230253165
Energy: 0.5141628105757716
Energy: 0.5043040589344729
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Energy: 0.5051969354541496
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Energy: 0.5071215763689862
Energy: 0.5056307793681922
Energy: 0.5678377813649798
Energy: 0.4966720581925987
Energy: 0.535820910076759
Energy: 0.5379543771490338
Energy: 0.5334886333077707
Energy: 0.5194827616309903
Energy: 0.4933989366478293
Energy: 0.5029961563226468
Energy: 0.5207865757183889
Energy: 0.4932466354448798
Energy: 0.5151378697656533
Energy: 0.5277988200112251
Energy: 0.498386075119475
Energy: 0.5313568956454013
Energy: 0.5325228681267361
Energy: 0.519634006241385
Energy: 0.5384199281582481
Energy: 0.5297341594662378
Energy: 0.5044736677100591
Energy: 0.5087447359801642
Energy: 0.5145668346782803
Energy: 0.5082493460477193
Energy: 0.507589766370282
Energy: 0.4981969725659477
Energy: 0.5281743580673498
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Energy: 0.5365417681791033
Energy: 0.5120986455391391
Energy: 0.5343553473530628
Energy: 0.524622267233071
Energy: 0.5186326430903512

minimum gb energy = 0.48988687464247854 eV
minimum distance =  2.50031075116952 Angstroms
sigma value = 401


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

Energy: 0.588778730496163
Energy: 0.4938467754433212
Energy: 0.5178309390151661
Energy: 0.5051666170080149
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Energy: 0.5166438708675373
Energy: 0.5280679507645337
Energy: 0.5299740368885512
Energy: 0.5248039496945801
Energy: 0.5066954854470096
Energy: 0.49875002407260033
Energy: 0.4867336951668927
Energy: 0.5181410555271219
Energy: 0.5303677544540969
Energy: 0.5163287690932229
Energy: 0.5100640576549136
Energy: 0.5095748557676315
Energy: 0.50313633337181
Energy: 0.48889399084159735
Energy: 0.5287740000064739
Energy: 0.5286216519595254
Energy: 0.4989589109476717
Energy: 0.5083139882747539
Energy: 0.527478707167901
Energy: 0.5175242300967112
Energy: 0.49609725058124193
Energy: 0.5397656888974587
Energy: 0.5346964964892964
Energy: 0.5085386614902849
Energy: 0.5227850517137981
Energy: 0.5001999112210613
Energy: 0.5012477355617522
Energy: 0.5581570453568491
Energy: 0.5002424013250092
Energy: 0.5235394156360418
Energy: 0.5045557496943056
Energy: 0.5014841829789768
Energy: 0.5244056747235063
Energy: 0.49771041877468936
Energy: 0.5161776074372558
Energy: 0.5132197978960408
Energy: 0.516356727931111
Energy: 0.4941186450924737
Energy: 0.5018304005103995
Energy: 0.5203440219676303
Energy: 0.5081229390298746
Energy: 0.5548550067195857
Energy: 0.5132784418103181
Energy: 0.5202246219916611
Energy: 0.5069237594669258
Energy: 0.512450297278958
Energy: 0.5089489961223755
Energy: 0.5216369279945461
Energy: 0.5409985926339396
Energy: 0.5337940256955808
Energy: 0.5427815333352121
Energy: 0.507510597122183
Energy: 0.5081151714343816
Energy: 0.5015259859626348
Energy: 0.5031818516977637
Energy: 0.49239986342626757
Energy: 0.5180227489338975
Energy: 0.5336514413026788
Energy: 0.5136175156757992
Energy: 0.5268854319675138
Energy: 0.5048979121016994
Energy: 0.5091036892042907
Energy: 0.4953110000818591
Energy: 0.5113633518942478
Energy: 0.5359813314205663
Energy: 0.5783005348191866
Energy: 0.4982631502529896
Energy: 0.50699937398959
Energy: 0.5072539628084514
Energy: 0.48801371880426536
Energy: 0.48693006186220533
Energy: 0.5206935654998667
Energy: 0.5064808180435741
Energy: 0.5284869121719525
Energy: 0.510139102609418
Energy: 0.5060507000027087
Energy: 0.48729173211970944
Energy: 0.5091612982603715
Energy: 0.5399759647193136
Energy: 0.5114324334878113
Energy: 0.5096030029253996
Energy: 0.5499326233478915
Energy: 0.5070798715422279
Energy: 0.5218146630973864
Energy: 0.512404582944339
Energy: 0.5386651330613487
Energy: 0.5237412423756745
Energy: 0.5200157525206403
Energy: 0.5349004577731427
Energy: 0.5727237033102723
Energy: 0.4885356023087921
Energy: 0.5296162183198959
Energy: 0.5447191396004314
Energy: 0.5050438916167
Energy: 0.5071848384569206
Energy: 0.5136550373745645
Energy: 0.5011581280331759
Energy: 0.5554271700708001
Energy: 0.520980621863213
Energy: 0.5265760264522525
Energy: 0.5085512914648609
Energy: 0.4952962929702943
Energy: 0.5118665857140833
Energy: 0.51526293600584
Energy: 0.5146419683999476
Energy: 0.5018720453748962
Energy: 0.5177484269777534

minimum gb energy = 0.48655764642733557 eV
minimum distance =  2.52191885321969 Angstroms
sigma value = 311


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

Energy: 0.5250063542384777
Energy: 0.5202177260118492
Energy: 0.5368297232892871
Energy: 0.511668866835455
Energy: 0.5470505586224068
Energy: 0.5195747090140613
Energy: 0.5316958578384088
Energy: 0.5190977653413738
Energy: 0.5100071135340091
Energy: 0.5055273872271693
Energy: 0.510556257997344
Energy: 0.5639570756344909
Energy: 0.514478289468386
Energy: 0.5310303687122623
Energy: 0.5064759948297191
Energy: 0.5243441505376897
Energy: 0.5105529104098133
Energy: 0.5323462892578813
Energy: 0.5215156357671513
Energy: 0.5227489112789904
Energy: 0.5061039089147471
Energy: 0.5223311056805597
Energy: 0.5282930087828821
Energy: 0.5203676032113799
Energy: 0.5723228631792118
Energy: 0.5190035970581037
Energy: 0.5272551340638617
Energy: 0.52709048273571
Energy: 0.5102293288409819
Energy: 0.5222837293103942
Energy: 0.521342003387929
Energy: 0.4969044285173974
Energy: 0.5160477867047814
Energy: 0.512339840625547
Energy: 0.5328966220134245
Energy: 0.5043804732231387
Energy: 0.5128428491205358
Energy: 0.5113269602917969
Energy: 0.49871915898428926
Energy: 0.512040010461729
Energy: 0.5037183506602209
Energy: 0.5232165747956036
Energy: 0.5188974626875978
Energy: 0.5281294846109449
Energy: 0.5519710889866437
Energy: 0.5061443138562908
Energy: 0.5130341453263574
Energy: 0.5170177906588117
Energy: 0.531129631345059
Energy: 0.5136409200740536
Energy: 0.506809507922689
Energy: 0.5380581708925809
Energy: 0.5125769653339064
Energy: 0.523848991309658
Energy: 0.5179860161947797
Energy: 0.5086936251622967
Energy: 0.5229329176487216
Energy: 0.5034741725312679
Energy: 0.5063107175221786
Energy: 0.5034527776428442
Energy: 0.5110458752009803
Energy: 0.5195622463473791
Energy: 0.5301307932084907
Energy: 0.5259907769349844
Energy: 0.5487590772895758
Energy: 0.5095586724387319
Energy: 0.5035195854789394
Energy: 0.5179540141194874
Energy: 0.5189889175866153
Energy: 0.5251201796110704
Energy: 0.5097409877004451
Energy: 0.5146189356444179
Energy: 0.506595260724838
Energy: 0.5166564972936213
Energy: 0.5035132869257596
Energy: 0.5239992254219079
Energy: 0.5108596049993097
Energy: 0.5126271555353904
Energy: 0.5218199641811397
Energy: 0.5041793457256482
Energy: 0.5013652542038973
Energy: 0.5184572541025285
Energy: 0.5284946118213767
Energy: 0.5312893318124886
Energy: 0.530686923936837
Energy: 0.5480942093867641
Energy: 0.5298417457037169
Energy: 0.5197164723450559
Energy: 0.5114362993097349
Energy: 0.5198191844498216
Energy: 0.5331721696237661
Energy: 0.5233807796571113
Energy: 0.5331225483162904
Energy: 0.5252078469668834
Energy: 0.5283195247841384
Energy: 0.5650011196064428
Energy: 0.5239304331953939
Energy: 0.5479559087213828
Energy: 0.5108176911179848
Energy: 0.505028789296155
Energy: 0.5256073121278008
Energy: 0.518081593192883
Energy: 0.5118998097602198
Energy: 0.508877393681442
Energy: 0.503319061532826
Energy: 0.5165719635207656
Energy: 0.5100475008454278
Energy: 0.5141843253700786
Energy: 0.5035550846623936
Energy: 0.5204836432574426
Energy: 0.49856221558029673
Energy: 0.508614278085956
Energy: 0.5090130133231378
Energy: 0.5164150483678653
Energy: 0.504907382640578
Energy: 0.5411370334867176
Energy: 0.5080055216221671
Energy: 0.4949858116091948
Energy: 0.5092788921738007
Energy: 0.5019561953137823
Energy: 0.5084840125933003
Energy: 0.506158926501949
Energy: 0.5154448437863849
Energy: 0.5051867927567456
Energy: 0.49907286625905695
Energy: 0.5186270067300552
Energy: 0.5548208425085196
Energy: 0.5100685369314351
Energy: 0.5076366440155378
Energy: 0.5375703603865151
Energy: 0.513546855998156
Energy: 0.519577019506698
Energy: 0.5162566440603148
Energy: 0.5388399959594026
Energy: 0.5164628706473574
Energy: 0.5456272499151311
Energy: 0.5357696721588019
Energy: 0.5403259805455599
Energy: 0.5374273309645554
Energy: 0.5262725335800114
Energy: 0.5364694884662535
Energy: 0.5107112744445265
Energy: 0.519029255508119
Energy: 0.5300438210796744
Energy: 0.5192958427956905
Energy: 0.5079605409719101
Energy: 0.5039054203049015
Energy: 0.5199698471232077
Energy: 0.5504439625011408
Energy: 0.5105153984913027
Energy: 0.513529865463759
Energy: 0.5272250440465767
Energy: 0.5037046338929628
Energy: 0.5101036404930237
Energy: 0.5101312648636632
Energy: 0.5130546952164254
Energy: 0.5185932873019085
Energy: 0.5473248269589294
Energy: 0.5166030854006269
Energy: 0.5121385681477493
Energy: 0.5179896086534709
Energy: 0.5361054304534957
Energy: 0.5472181404951232
Energy: 0.5068787756009452
Energy: 0.5026315646790525
Energy: 0.5207970618730786
Energy: 0.49991679176787346
Energy: 0.5052607661871925
Energy: 0.5437509759514275
Energy: 0.5320517436017033
Energy: 0.5494191721688023
Energy: 0.5178014588063562
Energy: 0.5171291704939107
Energy: 0.5141985319678002
Energy: 0.5092748024207904
Energy: 0.5154119219773672
Energy: 0.5241389488277656
Energy: 0.5222847742302964
Energy: 0.5266240175470318
Energy: 0.5291495929463652
Energy: 0.5404122001115547
Energy: 0.5655526243485541
Energy: 0.5227459275494906
Energy: 0.5027416736503275
Energy: 0.5209685658297292
Energy: 0.5280334231037638
Energy: 0.5081996655919977
Energy: 0.5436332702893577
Energy: 0.5301281545829643
Energy: 0.5212812023637982
Energy: 0.5116629946529003
Energy: 0.5092580047705905
Energy: 0.518881806336963
Energy: 0.5294474137708629
Energy: 0.5171355211182866
Energy: 0.5170905991922301
Energy: 0.5103882612977828
Energy: 0.5342564986255784
Energy: 0.515432867980593
Energy: 0.5239977287614053
Energy: 0.5153900836898806
Energy: 0.5160324542631223
Energy: 0.5030208190443877
Energy: 0.5313097955211459
Energy: 0.5029007129071763
Energy: 0.52856749946068
Energy: 0.5110047996991085
Energy: 0.5120897076611312
Energy: 0.5270027007215897
Energy: 0.511350994724814
Energy: 0.5528183162575458
Energy: 0.5298375985024422
Energy: 0.5033141784611175
Energy: 0.5206022278827501
Energy: 0.5153004609187625
Energy: 0.5082348720565618
Energy: 0.5215251958854396
Energy: 0.521228084137505
Energy: 0.5203408802609134
Energy: 0.5130081808289222
Energy: 0.5480756327787655
Energy: 0.5672617397660766
Energy: 0.5081876775830262
Energy: 0.5351563268911705
Energy: 0.5379905418845766
Energy: 0.5146570979798981
Energy: 0.5061813682021213
Energy: 0.5283973805033336
Energy: 0.5157415768740459
Energy: 0.5212048920940797
Energy: 0.5104982193752737
Energy: 0.5184101916299685
Energy: 0.5084965081825082
Energy: 0.5062494576612067
Energy: 0.5092552810930631
Energy: 0.5330108646281776
Energy: 0.5195118595251661
Energy: 0.5075433304305836
Energy: 0.515966374235888
Energy: 0.526448388272248
Energy: 0.5080722524048985
Energy: 0.524032555346457
Energy: 0.5200057767644054
Energy: 0.5246218602814889
Energy: 0.5305573209630693
Energy: 0.5190330611522644
Energy: 0.5400007133786647
Energy: 0.5353075753379839
Energy: 0.4963642552639744
Energy: 0.5117694502161484
Energy: 0.5130817630969527
Energy: 0.5067311445080868

minimum gb energy = 0.4949858116091948 eV
minimum distance =  2.51405102531068 Angstroms
sigma value = 39


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

Energy: 0.4777123476561056
Energy: 0.49197826568302294
Energy: 0.6603547694393563
Energy: 0.5827332502303292
Energy: 0.5060818155247521
Energy: 0.5294845176393735
Energy: 0.47254558045436884
Energy: 0.47253988344026826
Energy: 0.5337991311496723
Energy: 0.5294146844872785
Energy: 0.5243703106984152
Energy: 0.5049988177224911
Energy: 0.5054260866829392
Energy: 0.5282585274052843
Energy: 0.5050217649612203
Energy: 0.47341252102152215
Energy: 0.4883616788282127
Energy: 0.5395617853467077
Energy: 0.5151897572531386
Energy: 0.5039220036239717
Energy: 0.5310651489527585
Energy: 0.5000981286000288
Energy: 0.4900893011924446
Energy: 0.5253556515087707
Energy: 0.4933060545791087
Energy: 0.510919970538444
Energy: 0.545848053808562
Energy: 0.5599799276347605
Energy: 0.5207564848355478
Energy: 0.5056151582807544
Energy: 0.5428118399428536
Energy: 0.4898483078904577
Energy: 0.5284976972017393
Energy: 0.4894042873343242
Energy: 0.5063547471946696
Energy: 0.47267972403955427
Energy: 0.5052098606180055
Energy: 0.48803974320861027
Energy: 0.491313552684434
Energy: 0.5197155708842032
Energy: 0.5038100715218596
Energy: 0.5282758985034611
Energy: 0.4990560805350408
Energy: 0.5020789418292939
Energy: 0.4882974807842989
Energy: 0.5105519538576375
Energy: 0.4756302700870612
Energy: 0.47380460174045086
Energy: 0.507168609720019
Energy: 0.4747472995017543
Energy: 0.520297885047848
Energy: 0.5267703350174194
Energy: 0.49128124736324535
Energy: 0.5379516837411454
Energy: 0.4885871977728195
Energy: 0.5430420300996657
Energy: 0.4734711200587753
Energy: 0.52099709435845
Energy: 0.5419470247471428
Energy: 0.4914936726347123
Energy: 0.5037141038535349
Energy: 0.49357279135744636
Energy: 0.5430124310364167
Energy: 0.49916418436483845
Energy: 0.5026435306981099
Energy: 0.5457327780077914
Energy: 0.5260510989660597
Energy: 0.513748994047654
Energy: 0.503943326245416
Energy: 0.5044929878630817
Energy: 0.4998669722329627
Energy: 0.4887236210737931
Energy: 0.4854479268073249
Energy: 0.4892389446463618
Energy: 0.5197332868975775
Energy: 0.5103283994702871
Energy: 0.5605433617504932
Energy: 0.5224843194767825
Energy: 0.5048683678526065
Energy: 0.5489003733471906
Energy: 0.49053506850244266
Energy: 0.5089442366938116
Energy: 0.4897948915601981
Energy: 0.508288424968953
Energy: 0.4728191646381437
Energy: 0.5049891177695811
Energy: 0.5398189217682814
Energy: 0.49135123996387836
Energy: 0.5406044724013142
Energy: 0.5456678297083334
Energy: 0.5060119891736674
Energy: 0.5269589763113595
Energy: 0.4740195087970639
Energy: 0.48795866958755396
Energy: 0.5501439370161527
Energy: 0.47250149391668805
Energy: 0.47568601193475796
Energy: 0.5189549054824157
Energy: 0.47261296691685856
Energy: 0.5017024087765644
Energy: 0.4874711095163404
Energy: 0.5319674915069101
Energy: 0.4721626042508149
Energy: 0.47209921966045876
Energy: 0.5076361585334451
Energy: 0.47773681184361816
Energy: 0.5431264284047896
Energy: 0.5127213604551417
Energy: 0.49051950072633715
Energy: 0.5176941231780385
Energy: 0.5294544600756853
Energy: 0.4720296045824756
Energy: 0.505442417706688
Energy: 0.5342212636138325
Energy: 0.5293453422547864
Energy: 0.5248895020981647
Energy: 0.5046299072591149
Energy: 0.5052965073131322
Energy: 0.5070537321467545
Energy: 0.5045547008856786
Energy: 0.49066246620994325
Energy: 0.4889216880540567
Energy: 0.5396636849851884
Energy: 0.5156716862300501
Energy: 0.503992874330561
Energy: 0.5312399142493603
Energy: 0.4989148873149532
Energy: 0.49044903666536355
Energy: 0.525095238881966
Energy: 0.49798701454337324
Energy: 0.5103734605712668
Energy: 0.5323912030318515
Energy: 0.5596194033437424
Energy: 0.5169782938230849
Energy: 0.5053720992221811
Energy: 0.5427915041950927
Energy: 0.48981152653205967
Energy: 0.5291283995874764
Energy: 0.5313047128377144
Energy: 0.5061987760049769
Energy: 0.4720649485251468
Energy: 0.5048017918926667
Energy: 0.48760837032265286
Energy: 0.4913733112016807
Energy: 0.5195771817764335
Energy: 0.4722011642454156
Energy: 0.5245221821886504
Energy: 0.49896367224390425
Energy: 0.5020037939196335
Energy: 0.4883352221266353
Energy: 0.5104018808253891
Energy: 0.47573578079177475
Energy: 0.4740857801415489
Energy: 0.5071361917575333
Energy: 0.4741751750373845
Energy: 0.5205668066440281
Energy: 0.5257828005806552
Energy: 0.4911037211074618
Energy: 0.5376922042446417
Energy: 0.4885266986068757
Energy: 0.5428337266458583
Energy: 0.4725747256511247
Energy: 0.5208117628442825
Energy: 0.5418782528615935
Energy: 0.4912451052063565
Energy: 0.503795262199802
Energy: 0.4897159396282978
Energy: 0.5287830467189268
Energy: 0.4991414590599816
Energy: 0.5058741964884526
Energy: 0.4898333966501909
Energy: 0.5263621991646276
Energy: 0.5134633990053719
Energy: 0.5040286038618966
Energy: 0.5043169432246248
Energy: 0.49958601686337767
Energy: 0.488514005206315
Energy: 0.4853463081175499
Energy: 0.4895127183703852
Energy: 0.5201663050762616
Energy: 0.4877974179116991
Energy: 0.5288490248465239
Energy: 0.5224611558976069
Energy: 0.5056434899093237
Energy: 0.4890888944004674
Energy: 0.4907600246901331
Energy: 0.5293811343961602
Energy: 0.4900231790807504
Energy: 0.510646345806223
Energy: 0.47309699824410517
Energy: 0.5048995817020375
Energy: 0.5397221026028801
Energy: 0.4900816408559025
Energy: 0.5404078127713814
Energy: 0.5451370557336789
Energy: 0.5063732820132643
Energy: 0.49957624884607976
Energy: 0.47425047120570124
Energy: 0.4880290058228449
Energy: 0.5505076630203053
Energy: 0.4723450382924159
Energy: 0.47533970219754146
Energy: 0.5742848733717693
Energy: 0.4726152784708101
Energy: 0.5015499561624014
Energy: 0.4880957304357378
Energy: 0.4935197113352112
Energy: 0.4721036003333864
Energy: 0.4721487855711043
Energy: 0.507491735789043

minimum gb energy = 0.4720296045824756 eV
minimum distance =  2.53194873896257 Angstroms
sigma value = 21


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

Energy: 0.5961092222691377
Energy: 0.5704606766666447
Energy: 0.5131581037796077
Energy: 0.6601583604744717
Energy: 0.4909078313265808
Energy: 0.534180120033142
Energy: 0.5749252038063204
Energy: 0.5060583116427309
Energy: 0.5414984395583319
Energy: 0.5624589907462709
Energy: 0.500308303016474
Energy: 0.45939672826681877
Energy: 0.5488483310908507
Energy: 0.49643247407833707
Energy: 0.48901497225727986
Energy: 0.5017839108211736
Energy: 0.49838871195122303
Energy: 0.5623742939476936
Energy: 0.5379712322829274
Energy: 0.5369367449342562
Energy: 0.5042007711852771
Energy: 0.6040130330050439
Energy: 0.4647269626066218
Energy: 0.5030003538953434
Energy: 0.5050322401254941
Energy: 0.5019607360196967
Energy: 0.48986621460521146
Energy: 0.5535397142485351
Energy: 0.4844313765568889
Energy: 0.4883934478466856
Energy: 0.5013002932690374
Energy: 0.4718038664114108
Energy: 0.4718227738629442
Energy: 0.4906618278576113
Energy: 0.4923088957593076
Energy: 0.4725221388299732
Energy: 0.4618220146816607
Energy: 0.5150810392402778
Energy: 0.4691324331842088
Energy: 0.45586073018916595
Energy: 0.48857879839044027
Energy: 0.4871412816404296
Energy: 0.5596017532138732
Energy: 0.4708951330337951
Energy: 0.49019832164099103
Energy: 0.4929946261290528
Energy: 0.47488932973809755
Energy: 0.47371811587177953
Energy: 0.48701339240386765
Energy: 0.4893573140263781
Energy: 0.4717727100674568
Energy: 0.4980138188111933
Energy: 0.5354042487779296
Energy: 0.5027892587332671
Energy: 0.4842028899713761
Energy: 0.49013916510422567
Energy: 0.49923239847775247
Energy: 0.47099533890156553
Energy: 0.49690554688254013
Energy: 0.5168885730135497
Energy: 0.45834456665173373
Energy: 0.5736572172166146
Energy: 0.49309208853361836
Energy: 0.6034523601101475
Energy: 0.5159739331919965
Energy: 0.564485901832243
Energy: 0.5646217166450684
Energy: 0.49198375153881907
Energy: 0.49071297691892435
Energy: 0.6051008338378133
Energy: 0.535295865459939
Energy: 0.5110057656491793
Energy: 0.5017273454451536
Energy: 0.5352876422939425
Energy: 0.47251608343649154
Energy: 0.47213344427522574
Energy: 0.49619165827311457
Energy: 0.4929945579159002
Energy: 0.5210232993961812
Energy: 0.564063803430895
Energy: 0.5075720626914534
Energy: 0.5737990890206935
Energy: 0.5767692551868493
Energy: 0.5546227320327328
Energy: 0.5780337266817096
Energy: 0.49191097571765746
Energy: 0.5363685738112995
Energy: 0.5627230309785793
Energy: 0.5074893686906171
Energy: 0.5189661235871534
Energy: 0.4733711911515336
Energy: 0.5738389513971703
Energy: 0.5352501505130995
Energy: 0.5111691754255703
Energy: 0.4774269836574664
Energy: 0.5026700282947933
Energy: 0.49642557750706373
Energy: 0.48990576620392806
Energy: 0.4897523723050022
Energy: 0.4887430097865919
Energy: 0.5618832885332397
Energy: 0.6230563566093091
Energy: 0.6177366855901664
Energy: 0.603812621771211
Energy: 0.5726108420303799
Energy: 0.5987387772083543
Energy: 0.5256466492819224
Energy: 0.5178635003500919
Energy: 0.4689475849557077
Energy: 0.5154559746462009
Energy: 0.4913756873826066
Energy: 0.49737265831922345
Energy: 0.483908114601159
Energy: 0.5111663789510847
Energy: 0.4959037506333244
Energy: 0.4719742647834226
Energy: 0.4370384685726633
Energy: 0.4876343400037171
Energy: 0.49097892830824097
Energy: 0.47234211031121626
Energy: 0.4571748391483893
Energy: 0.5169469881132381
Energy: 0.510637140082696
Energy: 0.5022313718411159
Energy: 0.49235427415554056
Energy: 0.4831098601996599
Energy: 0.5756497925107038
Energy: 0.45562474193419855
Energy: 0.5034450691523584
Energy: 0.4841224771015538
Energy: 0.4730535265379695
Energy: 0.4722029437918584
Energy: 0.49020479265033695
Energy: 0.5314749127780349
Energy: 0.47228546522240533
Energy: 0.4909821032616039
Energy: 0.5175181423727512
Energy: 0.4861029456701954
Energy: 0.4846620690736432
Energy: 0.49148802918245316
Energy: 0.48962190803498107
Energy: 0.45824007706398256
Energy: 0.5016542932998385
Energy: 0.49618672954334847
Energy: 0.4718623254908473
Energy: 0.5548528906276651
Energy: 0.4997722925378827
Energy: 0.5361315746063459
Energy: 0.4839817324690135
Energy: 0.5006813695928408
Energy: 0.5103659977311769
Energy: 0.46734016967146763
Energy: 0.48791821703505345
Energy: 0.49181912711710735
Energy: 0.5997105173245797
Energy: 0.4967321864077061
Energy: 0.5397642048202457
Energy: 0.5634393805684126
Energy: 0.5090410112519387
Energy: 0.5246424316460592
Energy: 0.4973013575815037
Energy: 0.5324942575581583
Energy: 0.5048988018793188
Energy: 0.5333634531320989
Energy: 0.4811357550864222
Energy: 0.5743312677351827
Energy: 0.5741912507436729
Energy: 0.5669294018274829
Energy: 0.573840172287625
Energy: 0.5528252046784156
Energy: 0.46502750248986113
Energy: 0.5283105499985993
Energy: 0.5109056095314175
Energy: 0.4955824184009804
Energy: 0.4905994961173775

minimum gb energy = 0.4370384685726633 eV
minimum distance =  2.53381571462095 Angstroms
sigma value = 113


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

Energy: 0.6077958197603228
Energy: 0.5602969691748084
Energy: 0.6366407673697961
Energy: 0.6529688546777562
Energy: 0.6143238927532553
Energy: 0.5871431261017153
Energy: 0.5786313469485845
Energy: 0.568293848837321
Energy: 0.4950524702288111
Energy: 0.5798154994906505
Energy: 0.4932579612760649
Energy: 0.5448961646593307
Energy: 0.5437174833262904
Energy: 0.5409534160471123
Energy: 0.5670408666363104
Energy: 0.535110545052585
Energy: 0.5610246542391718
Energy: 0.5462265978352836
Energy: 0.5410481845087111
Energy: 0.5441175923020696
Energy: 0.5055672186880794
Energy: 0.5944496748844562
Energy: 0.5182926768279731
Energy: 0.593397514029057
Energy: 0.5796505289696976
Energy: 0.5888232252690386
Energy: 0.5931077963283375
Energy: 0.5172694858537851
Energy: 0.4695713644781444
Energy: 0.49466568670140487
Energy: 0.5049993741742215
Energy: 0.5210630606226094
Energy: 0.5063951551210474
Energy: 0.49453031759076854
Energy: 0.5375459023876709
Energy: 0.5325405600611328
Energy: 0.48535493685270115
Energy: 0.5039895296597581
Energy: 0.4922745923148059
Energy: 0.5478306136490242
Energy: 0.560529297007857
Energy: 0.485991107281472
Energy: 0.5051247365978557
Energy: 0.5082682957573581
Energy: 0.5442110105615449
Energy: 0.5426765890227997
Energy: 0.522258972964558
Energy: 0.5355661762433812
Energy: 0.5200501418557513
Energy: 0.529930863429797
Energy: 0.4819797742786249
Energy: 0.48124830303016336
Energy: 0.47002836282337374
Energy: 0.5428182917578642
Energy: 0.493591822618572
Energy: 0.490259789330746
Energy: 0.5171162017518641
Energy: 0.47492769594976575
Energy: 0.529295012915314
Energy: 0.4712544966014202
Energy: 0.5475059892756945
Energy: 0.5787722272983745
Energy: 0.4955928727157876
Energy: 0.56567902720848
Energy: 0.49707171135737205
Energy: 0.5479609113337199
Energy: 0.4780750104399501
Energy: 0.4990595491862598
Energy: 0.4973852383522911
Energy: 0.5006324514766719
Energy: 0.5059289697776886
Energy: 0.4807506705619265
Energy: 0.5176968270379686
Energy: 0.48007505915637655
Energy: 0.4983734527063255
Energy: 0.5020452143739771
Energy: 0.5065531783770634
Energy: 0.5265159112409028
Energy: 0.4743766094832214
Energy: 0.5484011127290143
Energy: 0.5444506974487135
Energy: 0.5135819101356877
Energy: 0.5489748729354723
Energy: 0.4751483787845697
Energy: 0.5733936723843198
Energy: 0.47883272207102384
Energy: 0.5234319571353603
Energy: 0.514427026335476
Energy: 0.4911712757480115
Energy: 0.524321917580592
Energy: 0.4708330737064285
Energy: 0.5400713456451038
Energy: 0.49239190141199823
Energy: 0.5315782878149916
Energy: 0.4996661362150304
Energy: 0.48968948936773155
Energy: 0.5076655242663242
Energy: 0.48961234044081964
Energy: 0.5198735948164438
Energy: 0.5603573139450241
Energy: 0.5905258539731706
Energy: 0.5143371286152354
Energy: 0.5466536916686462
Energy: 0.5583570211641612
Energy: 0.5456698615342747
Energy: 0.47202506091602847
Energy: 0.5289294863360434
Energy: 0.5210226629444799
Energy: 0.5153587821293082
Energy: 0.49159254652931017
Energy: 0.4919302897470339
Energy: 0.5385761718076103
Energy: 0.5825101766705756
Energy: 0.5304410405973873
Energy: 0.5817411134099562
Energy: 0.5199312637053058
Energy: 0.5406089317727221
Energy: 0.5508170844910454
Energy: 0.5049324270573536
Energy: 0.5639413585308521
Energy: 0.5321572453968828
Energy: 0.5569771454179908
Energy: 0.5701513917288938
Energy: 0.533263846001995
Energy: 0.5608663907608139
Energy: 0.5052313697168564
Energy: 0.5109074942965376
Energy: 0.5046705945840211
Energy: 0.5648530248764824
Energy: 0.4918073283924864
Energy: 0.5223296955937128
Energy: 0.5666380760725281
Energy: 0.5102274704903006
Energy: 0.5818232128420107
Energy: 0.5619462393184315
Energy: 0.5978155298732125
Energy: 0.5922722804205564
Energy: 0.6170288116719667
Energy: 0.5924789062373602
Energy: 0.5373085837431197
Energy: 0.5571924903207404
Energy: 0.5409498911965178
Energy: 0.5027660213705807
Energy: 0.5418874193030044
Energy: 0.5382070227253642
Energy: 0.5491028899388904
Energy: 0.5243460872642239
Energy: 0.5410269373037846
Energy: 0.5523915098042786
Energy: 0.5317558030840334
Energy: 0.5847243326951607
Energy: 0.5289332988306921
Energy: 0.5643093200006771
Energy: 0.4827695082773863
Energy: 0.5826209546513459
Energy: 0.5396614373994367
Energy: 0.5974366461753419
Energy: 0.6358103261362488
Energy: 0.6308282107195912
Energy: 0.5973571188134335
Energy: 0.5340998268666535
Energy: 0.5730159958798003
Energy: 0.48535343604515896
Energy: 0.5242374234855351
Energy: 0.5068392761390835
Energy: 0.5470905944332436
Energy: 0.5314439649752297
Energy: 0.5510147736884499
Energy: 0.5808439919490003
Energy: 0.5347178664566706
Energy: 0.5722273944721897
Energy: 0.5460418071886934
Energy: 0.5628534565813504
Energy: 0.5375453751592293
Energy: 0.5435900426478416
Energy: 0.5885846546392859
Energy: 0.5446689468096373
Energy: 0.5845710335509272
Energy: 0.5304697148812354
Energy: 0.5600639743642952
Energy: 0.5945091271763628
Energy: 0.5082897138266361
Energy: 0.4951794431856271
Energy: 0.5004766430555331
Energy: 0.5200401491239376
Energy: 0.49616130609647024
Energy: 0.5288905214288646
Energy: 0.50882625931547
Energy: 0.5460643704402862
Energy: 0.5322021075079155
Energy: 0.49108417954816014
Energy: 0.5943108577260228
Energy: 0.4775665024923413
Energy: 0.5365167880538299
Energy: 0.5623453745773042
Energy: 0.485619065459032
Energy: 0.536363662563334
Energy: 0.5022831124881617
Energy: 0.5034111670423239
Energy: 0.5228007833601128
Energy: 0.4962115163864476
Energy: 0.5205861345034052
Energy: 0.5172666887681938
Energy: 0.5559407222496245
Energy: 0.4911362563971278
Energy: 0.5370263356623601
Energy: 0.4792273481168374
Energy: 0.5001813801647873
Energy: 0.4912954382725507
Energy: 0.5051038928861267
Energy: 0.5236238372466292
Energy: 0.49877505390707083
Energy: 0.5540165148572592
Energy: 0.53240534143768
Energy: 0.5471541546077086
Energy: 0.5344922517682408
Energy: 0.519645103577114
Energy: 0.5460120417642197
Energy: 0.48134375304093746
Energy: 0.5854485521925376
Energy: 0.4734899740063495
Energy: 0.47885323333949736
Energy: 0.5107642436950867
Energy: 0.47726278809509326
Energy: 0.5257370204658859
Energy: 0.47329296943767685
Energy: 0.5739842317122401
Energy: 0.4733689564470073
Energy: 0.5039363896784903
Energy: 0.5317802500059732
Energy: 0.5114819088587947
Energy: 0.5314009364984834
Energy: 0.47398225596272847
Energy: 0.5485268236916885
Energy: 0.5284995556080143
Energy: 0.5220680721871067
Energy: 0.5702052634053271
Energy: 0.5050276727825035
Energy: 0.5765153037094441
Energy: 0.47771681921625875
Energy: 0.5166086148708485
Energy: 0.49894625176040597
Energy: 0.4805395434474245
Energy: 0.48373133595236273
Energy: 0.4898244350860506
Energy: 0.5389677164365594
Energy: 0.4876574450704977
Energy: 0.507832212181294
Energy: 0.504887907590595
Energy: 0.49778361494209933
Energy: 0.5222652754497911
Energy: 0.5131313825088926
Energy: 0.5079833673130957
Energy: 0.4700561695873722
Energy: 0.5726062528656785
Energy: 0.4735468316763121
Energy: 0.5031864999476509
Energy: 0.5578619471204794
Energy: 0.48502485747023644
Energy: 0.472533973332263
Energy: 0.53124033712927
Energy: 0.5232295801657594
Energy: 0.5139301119468378
Energy: 0.49864053079027293
Energy: 0.4926976320687766
Energy: 0.5246512280425197
Energy: 0.5719801640497417
Energy: 0.5523806111113831
Energy: 0.5712351029166489
Energy: 0.5507301703269806
Energy: 0.521309151651589
Energy: 0.5721949120612349
Energy: 0.5076722403852952
Energy: 0.531615095023002
Energy: 0.5473517288604186
Energy: 0.5689505857167444
Energy: 0.5293876474906539
Energy: 0.5202094199954255
Energy: 0.55823208486328
Energy: 0.5223508857467024
Energy: 0.538022487512452
Energy: 0.5066325412166467
Energy: 0.5882963396754891
Energy: 0.5307500597842747
Energy: 0.5448824490075476
Energy: 0.5389318708559676
Energy: 0.5442869149781817
Energy: 0.5920549390615003
Energy: 0.5839308470798393
Energy: 0.6033057301290311
Energy: 0.5932678801934861
Energy: 0.6170907112044913
Energy: 0.5920280827890947
Energy: 0.597418901632939
Energy: 0.534657470429331
Energy: 0.4867239564487803
Energy: 0.5038002718672996
Energy: 0.5475739527375725
Energy: 0.5180518435731782
Energy: 0.5477010412406169
Energy: 0.5588783922733666
Energy: 0.5859511379123912
Energy: 0.5386399546562062
Energy: 0.5307835259083314
Energy: 0.5652155384280853
Energy: 0.5515776743553764
Energy: 0.5801505958978878
Energy: 0.5089944380388273
Energy: 0.585554548045664
Energy: 0.5422480969544728
Energy: 0.5526841961256882
Energy: 0.5959545158506308
Energy: 0.5193113064041873
Energy: 0.5862351482604987
Energy: 0.5587693194828519

minimum gb energy = 0.4695713644781444 eV
minimum distance =  2.50543676884348 Angstroms
sigma value = 365


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

Energy: 0.5017345464300859
Energy: 0.4352905738417674
Energy: 0.4766120819290639
Energy: 0.43514803503398075
Energy: 0.435468777632406
Energy: 0.43435993291158537
Energy: 0.43823261421294585
Energy: 0.5190659514901198
Energy: 0.5252729094642945
Energy: 0.4950562842949513
Energy: 0.43717427385507124
Energy: 0.43664863668793086
Energy: 0.4357020129300932
Energy: 0.5250998949533359
Energy: 0.4967575470715625
Energy: 0.525283033719472
Energy: 0.4356369052583579
Energy: 0.43608186149993217
Energy: 0.4358766788473535
Energy: 0.4353720179762669
Energy: 0.4364008516595148
Energy: 0.49667822696932484
Energy: 0.5256391412803996
Energy: 0.43567099792551217
Energy: 0.43633527827463386
Energy: 0.4354871098003403
Energy: 0.43579361569346314
Energy: 0.4363254385155214
Energy: 0.5184232776619929
Energy: 0.525323917698258
Energy: 0.4966371383672904
Energy: 0.5285376782797926
Energy: 0.43625030466702064
Energy: 0.49623775833665423
Energy: 0.5255148977168942
Energy: 0.4989254165212534
Energy: 0.5293453344285296
Energy: 0.4358296335730663
Energy: 0.43544365831804943
Energy: 0.4353650159165693
Energy: 0.4358474508771406
Energy: 0.43577809814228297
Energy: 0.4979008911354649
Energy: 0.5253833998709165
Energy: 0.43470198393644394
Energy: 0.43641503694629663
Energy: 0.43652044075172786
Energy: 0.4351679007160626
Energy: 0.5255985245984158
Energy: 0.49727436237492023
Energy: 0.5262906463860361
Energy: 0.435269950134186
Energy: 0.43649913010303876
Energy: 0.43630428231764423
Energy: 0.43540513425530153
Energy: 0.5252757991259556
Energy: 0.49702283583608464
Energy: 0.5258115485295117
Energy: 0.4356693398714114
Energy: 0.4362453768226458
Energy: 0.4356155546318535
Energy: 0.43574807536607973
Energy: 0.4362143270420865
Energy: 0.5182707050203227
Energy: 0.5258106130528153
Energy: 0.49678135264435463
Energy: 0.5290000997387225
Energy: 0.5256349888992476
Energy: 0.49621385001679175
Energy: 0.5250678028546953
Energy: 0.4968604074938534
Energy: 0.526169906021686
Energy: 0.43574663099466776
Energy: 0.4363424705190518
Energy: 0.4359260812533479
Energy: 0.4360468247599745
Energy: 0.4362632326703577
Energy: 0.4970529442311514
Energy: 0.525780989450987
Energy: 0.4354786474686241
Energy: 0.43627242393320437
Energy: 0.4364470157468872
Energy: 0.43583188099987624
Energy: 0.5253045533732593
Energy: 0.49633850903213866
Energy: 0.5252431887407735
Energy: 0.4359692227388684
Energy: 0.436649239710014
Energy: 0.4366114406521854
Energy: 0.4377591478577627
Energy: 0.5254258213326252
Energy: 0.5013987357646964
Energy: 0.5284583007768949
Energy: 0.43587239563938135
Energy: 0.43505047258754
Energy: 0.4359046819476952
Energy: 0.4356269271797514
Energy: 0.4381492868974001
Energy: 0.5186459422850764
Energy: 0.5252110989081634
Energy: 0.4966073078861919
Energy: 0.4368537263763314
Energy: 0.43635696928740964
Energy: 0.49534570216594626
Energy: 0.5253697909535696
Energy: 0.49670202354781406
Energy: 0.5253134833758725
Energy: 0.4352104041721646
Energy: 0.43589465036143893
Energy: 0.4358105371613736
Energy: 0.43577953328633995
Energy: 0.4356808782404427
Energy: 0.49661765839596245
Energy: 0.5258865205327571
Energy: 0.43512913199954373
Energy: 0.43610270615090024
Energy: 0.4359100481721369
Energy: 0.43515388650431264
Energy: 0.4362173326192088
Energy: 0.5188089711171073
Energy: 0.525251040916889
Energy: 0.49412608144726533
Energy: 0.4367832557779965
Energy: 0.436263679519916
Energy: 0.4351429651321289
Energy: 0.5254520176782984
Energy: 0.5016163129020562
Energy: 0.5285877373616684
Energy: 0.4356254766610831
Energy: 0.43534530701875407
Energy: 0.4355042774094447
Energy: 0.43546678449912374
Energy: 0.43983433602771177
Energy: 0.4967423429434128
Energy: 0.5253111517063962
Energy: 0.4355129430208481
Energy: 0.43673759936476164
Energy: 0.43658167784164853
Energy: 0.4411551457048529
Energy: 0.5253475183015595

minimum gb energy = 0.43435993291158537 eV
minimum distance =  2.64043237527351 Angstroms
sigma value = 23