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=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.05616620182991
cohesive_energy=3.8004338183679356
mass=196.9665
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=[9.864152926080479e-20, 1.60919416765692e-19, 2.1455868829537798e-19, 2.62225045333512e-19, 3.0444560399267994e-19, 3.4232746832697596e-19, 3.7646344369097997e-19, 4.07279709069336e-19, 4.35107915025282e-19, 4.60212420703428e-19, 4.828127243026319e-19, 5.0309948484234e-19, 5.212681678718999e-19, 5.37552691179876e-19, 5.52092444133426e-19, 5.64786489604608e-19, 5.7564604282986e-19, 5.848056866464379e-19, 5.923759712420879e-19, 5.98441811978412e-19, 6.030672959207699e-19, 6.063101014279859e-19, 6.082214981523479e-19, 6.088479492162419e-19, 6.0816702414679195e-19, 6.05944805155434e-19, 6.01880083034976e-19, 5.95607561512866e-19, 5.866930507212899e-19, 5.74609434547662e-19, 5.58730261928088e-19, 5.382864880782479e-19, 5.122527199523819e-19, 4.79352022773192e-19, 4.38062328738378e-19, 3.8649146724318597e-19, 3.2221374286373996e-19, 2.42119330753446e-19, 1.4218788908460778e-19, 1.7219553591578398e-20, -1.39558396792887e-19, -3.3773563009393196e-19, -5.902659046151099e-19, -9.14717888236548e-19, -1.3360358689729918e-18, -1.8903281016249e-18, -2.6316552301766996e-18, -3.641891684979059e-18, -5.0515187311049395e-18, -7.07939369675874e-18, -1.010545674892722e-17, -1.484269251150672e-17, -2.2754112556068e-17, -3.7211353412966994e-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: -6.54468460673089e-28 eV

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

Energy: 0.014258209303365278
Energy: 0.015192280677932577
Energy: 0.2124305574057799
Energy: 0.44713633509949774
Energy: 0.4479478666940966
Energy: 0.17696727359543052
Energy: 0.014878114891950478
Energy: 0.014801860737654438
Energy: 0.5135866976045723
Energy: 0.13599343705260222
Energy: 0.306465442646203
Energy: 0.3047284302198693
Energy: 0.01513205185879783
Energy: 0.06455967586123668
Energy: 0.01466450777130097
Energy: 0.4469646377119564
Energy: 0.3012131181625176
Energy: 0.412594610995996
Energy: 0.3043752526342461
Energy: 0.06347875492870966
Energy: 0.06462137508323815
Energy: 0.01602553212830205
Energy: 0.30478476349540284
Energy: 0.21234743497142836
Energy: 0.44712834763821085
Energy: 0.44794062475363383
Energy: 0.06390426125124499
Energy: 0.014834671806122255
Energy: 0.0642710392214861
Energy: 0.519072149490481
Energy: 0.13606635959416058
Energy: 0.30711883664010814
Energy: 0.30491313992656044
Energy: 0.01506077123642615
Energy: 0.06400480419465089
Energy: 0.01454542714392622
Energy: 0.35845373063203484
Energy: 0.30031298233653625
Energy: 0.41224010023716295
Energy: 0.3640874835379453
Energy: 0.06349949883052333
Energy: 0.06439725920953665

minimum gb energy = 0.014258209303365278 eV
minimum distance =  2.84146822043517 Angstroms
sigma value = 5


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

Energy: 0.6814041349979052
Energy: 0.7539760705155684
Energy: 0.6781049577806811
Energy: 0.7363512054358347
Energy: 0.7253150328291731
Energy: 0.6246947114321524
Energy: 0.7533900753273048
Energy: 0.6231355213114754
Energy: 0.6860568551970392
Energy: 0.6466523556217938
Energy: 0.6923010708726373
Energy: 0.6496861704345721
Energy: 0.6387537917016338
Energy: 0.6747212891795141
Energy: 0.7034125327225407
Energy: 0.6501638518765166
Energy: 0.6812673860340466
Energy: 0.648624463507779
Energy: 0.6388736612977045
Energy: 0.6801276696048685
Energy: 0.6474039239205511
Energy: 0.6102076837284645
Energy: 0.697704010758627
Energy: 0.6271418746569005
Energy: 0.6714055372714081
Energy: 0.6863228331338294
Energy: 0.6220804086586971
Energy: 0.6666319867922819
Energy: 0.6171802747125985
Energy: 0.6379065548400534
Energy: 0.6234119115716227
Energy: 0.6586382869501906
Energy: 0.6435263249830208
Energy: 0.6350405086916626
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Energy: 0.6824261081798036
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Energy: 0.6452758234241732
Energy: 0.6601978481698694
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Energy: 0.6606175954708595
Energy: 0.6371900240778239
Energy: 0.6463620341667611
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Energy: 0.6979636454367635
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Energy: 0.6435751787366037
Energy: 0.7047161310176696
Energy: 0.6467581699700375
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Energy: 0.6517326667833007
Energy: 0.6247401382012145
Energy: 0.676664085171548
Energy: 0.6604734050353139
Energy: 0.6229899391392694
Energy: 0.6342301336624316
Energy: 0.6937236835706664
Energy: 0.6667530425167502
Energy: 0.6860652623601707
Energy: 0.6725213865366934
Energy: 0.644435919204237
Energy: 0.6700715718795546
Energy: 0.7185270591503817
Energy: 0.6353815993237115
Energy: 0.6796730686238817
Energy: 0.6364805921445678
Energy: 0.6935420359347646
Energy: 0.6650970771064688
Energy: 0.643929209843665
Energy: 0.6447035644009742
Energy: 0.7007338216813231
Energy: 0.6679349154038521
Energy: 0.6366964129922167
Energy: 0.6615319131273238
Energy: 0.6773944707258439
Energy: 0.6487649041108241
Energy: 0.6367577136474717
Energy: 0.6385501132905652
Energy: 0.6875084041514463
Energy: 0.6592893337495108
Energy: 0.6553594128531064
Energy: 0.684806625183474
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Energy: 0.6872380132451876
Energy: 0.6829511300800152
Energy: 0.6828349815533239
Energy: 0.6793812673423806
Energy: 0.6182039768678094
Energy: 0.6945410422506676

minimum gb energy = 0.6102076837284645 eV
minimum distance =  2.60859315193055 Angstroms
sigma value = 401


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

Energy: 0.6727244792006777
Energy: 0.6947978137193893
Energy: 0.6419752820182186
Energy: 0.620595714000216
Energy: 0.7899261689669429
Energy: 0.6315264516912761
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Energy: 0.6822581022071379
Energy: 0.6202667650236602
Energy: 0.6270228690468067
Energy: 0.6203817280818611
Energy: 0.618156144165428
Energy: 0.7071653619468016
Energy: 0.6713979206418816
Energy: 0.6648277116518815
Energy: 0.6214773056890737
Energy: 0.61826989265676
Energy: 0.610246543770436
Energy: 0.6253763652170907
Energy: 0.6658143167448966
Energy: 0.6389053168086047
Energy: 0.6581627061370796
Energy: 0.6853190847309437
Energy: 0.623419626470787
Energy: 0.6165044572944112
Energy: 0.6597601178068808
Energy: 0.6694747201825297
Energy: 0.6277706837040049
Energy: 0.6429641819443149
Energy: 0.6447984293528193
Energy: 0.6236625569561914
Energy: 0.6407434526312715
Energy: 0.6818157319951609
Energy: 0.6419020125408016
Energy: 0.650675691193296
Energy: 0.6356988183189334
Energy: 0.6356580594452451
Energy: 0.6457372588042556
Energy: 0.6556607374331833
Energy: 0.6449063897408879
Energy: 0.645641135445831
Energy: 0.6289195102971201
Energy: 0.6341228338250954
Energy: 0.6472722945163376
Energy: 0.6188722273674345
Energy: 0.6509972164182734
Energy: 0.6468475896619292
Energy: 0.6547159759635266
Energy: 0.6295380867536361
Energy: 0.6322222112046489
Energy: 0.6418090027106346
Energy: 0.6279948803319282
Energy: 0.6711444174200945
Energy: 0.6297108821312031
Energy: 0.6612275187533934
Energy: 0.6495599716271371
Energy: 0.6331206053348607
Energy: 0.6342506372119999
Energy: 0.6468881010769809
Energy: 0.6227080549597331
Energy: 0.6642677869785862
Energy: 0.6584075724628009
Energy: 0.6224593078425048
Energy: 0.6521551854442773
Energy: 0.6653890109216767
Energy: 0.6144054836504176
Energy: 0.6194901656025518
Energy: 0.6527399102506576
Energy: 0.6826058935515823
Energy: 0.6067747655104591
Energy: 0.6396241826920299
Energy: 0.6374898091400316
Energy: 0.6251997979383008
Energy: 0.6186123605278687
Energy: 0.62422398362102
Energy: 0.7037257833568054
Energy: 0.6218268241847851
Energy: 0.6734362676609436
Energy: 0.6228813234088046
Energy: 0.6266676226756388
Energy: 0.6107132485483137
Energy: 0.6989687706076889
Energy: 0.7001120379961213
Energy: 0.6616786481947726
Energy: 0.6989140067504969
Energy: 0.6248204051731292
Energy: 0.6257485555927536
Energy: 0.6112254189879074
Energy: 0.6220328366876665
Energy: 0.6873217595649198
Energy: 0.6423024793697899
Energy: 0.6449317334249918
Energy: 0.6942442351571524
Energy: 0.6226302572284181
Energy: 0.6142462795732279
Energy: 0.6596260558582141
Energy: 0.6661520548296418
Energy: 0.6663438254148629
Energy: 0.6445588210062997
Energy: 0.675222622619141
Energy: 0.6506553858641497
Energy: 0.6316023857786046
Energy: 0.6856062853969416
Energy: 0.6606322667403781
Energy: 0.6699966190311792
Energy: 0.6336797039420377
Energy: 0.6366735145411311
Energy: 0.644507425268568
Energy: 0.6688287488685978
Energy: 0.6462336110234811
Energy: 0.6506908096410072
Energy: 0.6299730631832783
Energy: 0.6300049830068737
Energy: 0.6537421743825135
Energy: 0.6463389874140725
Energy: 0.6165452871714486
Energy: 0.6709333264008736
Energy: 0.6268515120951554

minimum gb energy = 0.6067747655104591 eV
minimum distance =  2.60986882072832 Angstroms
sigma value = 311


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

Energy: 0.6439290097061192
Energy: 0.6142254523294383
Energy: 0.6102802806233734
Energy: 0.6233664230384439
Energy: 0.6137619801400536
Energy: 0.6167661473338867
Energy: 0.6524365327830122
Energy: 0.625347151263491
Energy: 0.6495064178441868
Energy: 0.6333023536935614
Energy: 0.6507044099883623
Energy: 0.6081242005550178
Energy: 0.6273548745001555
Energy: 0.6289871172966625
Energy: 0.6466353919874038
Energy: 0.6248367647239255
Energy: 0.6173817491152708
Energy: 0.617887211811314
Energy: 0.6083254284876431
Energy: 0.6363843657418202
Energy: 0.6257781231250721
Energy: 0.6201487343193685
Energy: 0.6065022108255306
Energy: 0.6302626694199742
Energy: 0.6946001807093295
Energy: 0.6492391528161812
Energy: 0.613876523203334
Energy: 0.6700244337628714
Energy: 0.6493717679493437
Energy: 0.631602898170646
Energy: 0.6126500070033846
Energy: 0.6704158862524507
Energy: 0.6185387446849275
Energy: 0.669161103523187
Energy: 0.6314385894821747
Energy: 0.6183664906963316
Energy: 0.6070004802239978
Energy: 0.6223940776659959
Energy: 0.6299598146319817
Energy: 0.6253219668423222
Energy: 0.63532576540347
Energy: 0.6288488800900627
Energy: 0.6437916360877973
Energy: 0.6327277366094414
Energy: 0.6593137180764779
Energy: 0.6217390417924181
Energy: 0.6618191737538841
Energy: 0.6149814018202601
Energy: 0.6620475856973141
Energy: 0.6262541714852151
Energy: 0.642855699706277
Energy: 0.6227072111497123
Energy: 0.6511087818524456
Energy: 0.6073514373611199
Energy: 0.6478305597564492
Energy: 0.6301080412508655
Energy: 0.6236678821877608
Energy: 0.6246048225306801
Energy: 0.6442626328603434
Energy: 0.6190761387564797
Energy: 0.6143930964552329
Energy: 0.6423697965081699
Energy: 0.6241103190506967
Energy: 0.6199625010746703
Energy: 0.6277439774262658
Energy: 0.6478558283384672
Energy: 0.6282983586772368
Energy: 0.6467834626621212
Energy: 0.6139115975424231
Energy: 0.6286068570520451
Energy: 0.6480083678152839
Energy: 0.6352406615525105
Energy: 0.6132730187056141
Energy: 0.6573389863427312
Energy: 0.6167857295164141
Energy: 0.6686077800655951
Energy: 0.6302740932545235
Energy: 0.6187445894063067
Energy: 0.619523791723204
Energy: 0.6228913271940902
Energy: 0.6300413778655624
Energy: 0.6210386586114964
Energy: 0.6164714771944958
Energy: 0.6155326985864711
Energy: 0.6437308411920688
Energy: 0.6342211611564699
Energy: 0.6604166421234421
Energy: 0.622565532816826
Energy: 0.6613905281467098
Energy: 0.6151131362465131
Energy: 0.6633172294058641
Energy: 0.6502578420518987
Energy: 0.6437976092164791
Energy: 0.6220311648818633
Energy: 0.650419142355771
Energy: 0.6551123414729517
Energy: 0.674220584972722
Energy: 0.6799622054336796
Energy: 0.6388834352456219
Energy: 0.6243554062274002
Energy: 0.6231129763908149
Energy: 0.6112626077047703
Energy: 0.6117584812219665
Energy: 0.624919778785665
Energy: 0.6302003104305877
Energy: 0.6198674344834155
Energy: 0.6298687522417933
Energy: 0.6459715658023605
Energy: 0.6275940869971435
Energy: 0.6476547186168244
Energy: 0.6155844203659175
Energy: 0.6184836838909176
Energy: 0.6444852764619833
Energy: 0.6337407541376315
Energy: 0.6134994269606706
Energy: 0.6570592106557659
Energy: 0.6157093050761028
Energy: 0.6681044701667517
Energy: 0.6331733388543571
Energy: 0.6168906911917551
Energy: 0.6284498340596563
Energy: 0.6246538265888487
Energy: 0.6345360093845246
Energy: 0.6249665360641226
Energy: 0.6224031838936636
Energy: 0.6104628005804503
Energy: 0.6430875880594651
Energy: 0.6294197257556285
Energy: 0.6602833949899389
Energy: 0.6439020636968548
Energy: 0.660764325704909
Energy: 0.6142110633062569
Energy: 0.665565577089507
Energy: 0.649583986045579
Energy: 0.6097911498045546
Energy: 0.6220683884859285
Energy: 0.6839426647186223
Energy: 0.6528892871115111
Energy: 0.6451389404000094
Energy: 0.6560288310586475
Energy: 0.638563696493491
Energy: 0.6281038273290211
Energy: 0.6237244501076314
Energy: 0.6144678162287471
Energy: 0.6209976588407429
Energy: 0.6154871316744288
Energy: 0.6298568916299869
Energy: 0.6205196880439336
Energy: 0.6290186482577999
Energy: 0.6193366764210411
Energy: 0.6118502637407672
Energy: 0.6396648219176418
Energy: 0.6158292926436171
Energy: 0.6193586462740474
Energy: 0.6918285716686773
Energy: 0.621374923754092
Energy: 0.6128180001248644
Energy: 0.6724032993026513
Energy: 0.613194449267759
Energy: 0.6663068938234771
Energy: 0.6209386294284768
Energy: 0.6172112468191135
Energy: 0.6296590261189237
Energy: 0.6195199544433432
Energy: 0.634215360368671
Energy: 0.6314568884459089
Energy: 0.616931285222372
Energy: 0.6080897356470714
Energy: 0.6420840030808641
Energy: 0.6473866438884226
Energy: 0.6599470268845321
Energy: 0.6213303556636557
Energy: 0.6694997298701331
Energy: 0.6160513341975569
Energy: 0.6275592070653105
Energy: 0.6582005964723331
Energy: 0.6541963272696868
Energy: 0.6218961318523843
Energy: 0.6860428424771133
Energy: 0.6550345632891471
Energy: 0.6564622023061629
Energy: 0.6559018529265637
Energy: 0.6389373890257068
Energy: 0.6167487334834469
Energy: 0.624142539452342
Energy: 0.6138843668026169
Energy: 0.6779957771316761
Energy: 0.614725221082139
Energy: 0.6299031251388102
Energy: 0.6183713701639022
Energy: 0.6279691005263242
Energy: 0.6221236771263181
Energy: 0.629865068472772
Energy: 0.6399540796138075
Energy: 0.6163300036271363
Energy: 0.61700399436338
Energy: 0.6138192123064345
Energy: 0.620364428844121
Energy: 0.6117263130541697
Energy: 0.6645807656701637
Energy: 0.6135685227718174
Energy: 0.6683017532135995
Energy: 0.6206803454398473
Energy: 0.6218184562715768
Energy: 0.6462130820913521
Energy: 0.6047116940289248
Energy: 0.6386092225634552
Energy: 0.6625487461634475
Energy: 0.6261317929370418
Energy: 0.6075029286159501
Energy: 0.6244268726721477
Energy: 0.615563600443006
Energy: 0.6445145100261052
Energy: 0.6218205322674863
Energy: 0.631272162093014
Energy: 0.6411760874025128
Energy: 0.6205937343629198
Energy: 0.6491496813950388
Energy: 0.620188604955717
Energy: 0.6222451874781082
Energy: 0.6865874608892385
Energy: 0.6554236126696462
Energy: 0.6561406909039597
Energy: 0.6094373498442773
Energy: 0.6424058225270427
Energy: 0.6164642462762049
Energy: 0.6259655991769366
Energy: 0.6136815307002417
Energy: 0.6777082486463236
Energy: 0.6134439673512605
Energy: 0.6307693511503205
Energy: 0.6177212098507169
Energy: 0.6184666680973416
Energy: 0.6223990168133013
Energy: 0.6296664809158246
Energy: 0.6319364572884569
Energy: 0.615644509655208
Energy: 0.6150320094516529
Energy: 0.6138140028003972
Energy: 0.6442439280614312
Energy: 0.612254993967168
Energy: 0.6689715900031759
Energy: 0.6137132114032455
Energy: 0.6687823876678785
Energy: 0.6206569590807968
Energy: 0.6216932933980305
Energy: 0.6454394725965547
Energy: 0.6100245557646491
Energy: 0.6537613603177286
Energy: 0.6605134985379131
Energy: 0.6180026293883233
Energy: 0.6606782241786594

minimum gb energy = 0.6047116940289248 eV
minimum distance =  2.58170262217007 Angstroms
sigma value = 39


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

Energy: 0.615024640886687
Energy: 0.6002199041342711
Energy: 0.6657957218766096
Energy: 0.7168731441846248
Energy: 0.6514421417639418
Energy: 0.6739311422537339
Energy: 0.6040420389583517
Energy: 0.5891657138733605
Energy: 0.6075768374039597
Energy: 0.6484038912727881
Energy: 0.6334095650314674
Energy: 0.6327491892814301
Energy: 0.6383456129954941
Energy: 0.6490173644800491
Energy: 0.625979579837794
Energy: 0.6237995612800101
Energy: 0.6040551020200128
Energy: 0.6321512934505886
Energy: 0.6219379019503354
Energy: 0.6529294769360371
Energy: 0.6552044092576119
Energy: 0.6290062302884295
Energy: 0.6150110145140433
Energy: 0.635888415784702
Energy: 0.6240871685557879
Energy: 0.6347345629755379
Energy: 0.6213920719508265
Energy: 0.648109266649575
Energy: 0.6058682724542587
Energy: 0.6187067249296699
Energy: 0.6379449417311865
Energy: 0.6487778688332589
Energy: 0.6711104813042434
Energy: 0.592832558535137
Energy: 0.6049402624456758
Energy: 0.5895338843299839
Energy: 0.6244675907836846
Energy: 0.6079116795249033
Energy: 0.6339439219037708
Energy: 0.6724124779478122
Energy: 0.6548254117961394
Energy: 0.6045017427798799
Energy: 0.6399478293121291
Energy: 0.633439197338482
Energy: 0.6027155814928737
Energy: 0.6698016362337671
Energy: 0.616340264656535
Energy: 0.6039763575026876
Energy: 0.6134928389018193
Energy: 0.5771531944378835
Energy: 0.6257761943043025
Energy: 0.6370726766730149
Energy: 0.6270368778403996
Energy: 0.6932404891549115
Energy: 0.6399574607584567
Energy: 0.6031525136969168
Energy: 0.5774438365533706
Energy: 0.6236472234045766
Energy: 0.6367039133077639
Energy: 0.6172978469107662
Energy: 0.6158265122261461
Energy: 0.6009927264483623
Energy: 0.6027483576527802
Energy: 0.6348656249929585
Energy: 0.6215681153284068
Energy: 0.6070437333512907
Energy: 0.628594837513484
Energy: 0.6214128361725741
Energy: 0.6472806785254752
Energy: 0.6401067406382459
Energy: 0.6326847929721992
Energy: 0.6136188242281048
Energy: 0.6183953409515143
Energy: 0.618746347166779
Energy: 0.6113263188875101
Energy: 0.6436047020341745
Energy: 0.6655851646176806
Energy: 0.6128399817846932
Energy: 0.6269125191092693
Energy: 0.6134172953128404
Energy: 0.6240383022768643
Energy: 0.6399659322370169
Energy: 0.6198884386077312
Energy: 0.613404230392407
Energy: 0.588256025500206
Energy: 0.6291159949880095
Energy: 0.6342440249912521
Energy: 0.6412874698334338
Energy: 0.6288909186244284
Energy: 0.6297156212450802
Energy: 0.6097921496910021
Energy: 0.670477757189213
Energy: 0.6067506001351309
Energy: 0.6055743388550664
Energy: 0.7030511094993316
Energy: 0.6189313239063448
Energy: 0.6067450147617311
Energy: 0.6097870451337941
Energy: 0.5833297374756252
Energy: 0.6066605619730644
Energy: 0.6033994603344441
Energy: 0.6541193342533176
Energy: 0.6136723562783905
Energy: 0.6147764727730575
Energy: 0.6232467635059189
Energy: 0.5752790525978447
Energy: 0.636248552898567
Energy: 0.6527720366870531
Energy: 0.6631151436677638
Energy: 0.6688423465529661
Energy: 0.6409023920941509
Energy: 0.578071634823314
Energy: 0.6084156100423398
Energy: 0.6150843987582185
Energy: 0.6482011456640259
Energy: 0.633060067560363
Energy: 0.6363301453023449
Energy: 0.6483818907712473
Energy: 0.6152784662271686
Energy: 0.6052796334002679
Energy: 0.6286930998316512
Energy: 0.6039803829818986
Energy: 0.6318354821524058
Energy: 0.6370435430975601
Energy: 0.6446958312186774
Energy: 0.6495560538882832
Energy: 0.6288347110514085
Energy: 0.6181721419269747
Energy: 0.6702421410962894
Energy: 0.6252720437842321
Energy: 0.6340266309776131
Energy: 0.6221365562519667
Energy: 0.6786912547929494
Energy: 0.6107203686331556
Energy: 0.6233210811514762
Energy: 0.6352108283768803
Energy: 0.6367205195021448
Energy: 0.6483511627990398
Energy: 0.592259911261119
Energy: 0.6090806256989794
Energy: 0.5935580020054128
Energy: 0.6240971138587081
Energy: 0.607865126260215
Energy: 0.6437673553662719
Energy: 0.6701136158337141
Energy: 0.6079098568228135
Energy: 0.6200000646595923
Energy: 0.6402882210305382
Energy: 0.6173312003145208
Energy: 0.6027003732795861
Energy: 0.6698787131857653
Energy: 0.6166790566688141
Energy: 0.6111867577800281
Energy: 0.6145145327055612
Energy: 0.5803785483745693
Energy: 0.6295408277508998
Energy: 0.6349949117574804
Energy: 0.6589098175385253
Energy: 0.6928228914951915
Energy: 0.6381109979364916
Energy: 0.603673223737474
Energy: 0.5777531950716612
Energy: 0.6228225728338881
Energy: 0.6386022542804429
Energy: 0.6108492982589956
Energy: 0.6099555324966202
Energy: 0.602653175758113
Energy: 0.6030829289919684
Energy: 0.6373532792376538
Energy: 0.6285323952826359
Energy: 0.6047020938274517
Energy: 0.628637256805992
Energy: 0.637520385766462
Energy: 0.6451681980766026
Energy: 0.6352943845526459
Energy: 0.6326053776376392
Energy: 0.6141306978988939
Energy: 0.6136743576085526
Energy: 0.6124678032794103
Energy: 0.620312858774865
Energy: 0.6289332422847007
Energy: 0.6454635224850487
Energy: 0.612386083725173
Energy: 0.6222498371643894
Energy: 0.5993141480257188
Energy: 0.6255215884776877
Energy: 0.639562202907537
Energy: 0.6222092881914986
Energy: 0.6141402291735415
Energy: 0.5887548597443459
Energy: 0.6265672793246518
Energy: 0.6641356295045415
Energy: 0.6297668268183559
Energy: 0.6290598840035686
Energy: 0.6291507285893702
Energy: 0.6153175597123698
Energy: 0.6396779138255707
Energy: 0.6134373121848193
Energy: 0.6052143677386488
Energy: 0.7073551025105231
Energy: 0.6054731968559897
Energy: 0.6209410133298842
Energy: 0.6564223593151788
Energy: 0.5981366592301139
Energy: 0.6032330232383581
Energy: 0.6033092721885451
Energy: 0.6386285272265159
Energy: 0.611230229005228
Energy: 0.5951813622536937
Energy: 0.6584389772682092

minimum gb energy = 0.5752790525978447 eV
minimum distance =  2.60927190050331 Angstroms
sigma value = 21


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

Energy: 0.7331454661015081
Energy: 0.6847552022667319
Energy: 0.7252224444823533
Energy: 0.7726701771881411
Energy: 0.6524822447733892
Energy: 0.6209075906284113
Energy: 0.6843569767898772
Energy: 0.6361695884850901
Energy: 0.6491852295907156
Energy: 0.68720484829235
Energy: 0.5488313106349446
Energy: 0.6008027579218014
Energy: 0.7251726645672456
Energy: 0.622865410100247
Energy: 0.6523795831922635
Energy: 0.578782520377168
Energy: 0.6229988656937212
Energy: 0.5491286351008213
Energy: 0.6167998560086662
Energy: 0.5924534243102952
Energy: 0.6275805087112691
Energy: 0.5901456319673262
Energy: 0.5875770639326426
Energy: 0.645353289579134
Energy: 0.6599222891663588
Energy: 0.6164289919698478
Energy: 0.6131563699906973
Energy: 0.6729325851533018
Energy: 0.5900370276847731
Energy: 0.5650423294667754
Energy: 0.6296634174935135
Energy: 0.5936308790379847
Energy: 0.5937017042249617
Energy: 0.6087778744670858
Energy: 0.6145827089074444
Energy: 0.5728435223344793
Energy: 0.5720669477514752
Energy: 0.6138964580086224
Energy: 0.5883671721745272
Energy: 0.5916487871954549
Energy: 0.601913009524534
Energy: 0.6090666594563939
Energy: 0.593308533507211
Energy: 0.5916480206220391
Energy: 0.6223387556431137
Energy: 0.5718103047295853
Energy: 0.5733443794401235
Energy: 0.5741428512140077
Energy: 0.6056168350213267
Energy: 0.6295412611202816
Energy: 0.5958415378822814
Energy: 0.6294500597756727
Energy: 0.6257714976090553
Energy: 0.5717181911735957
Energy: 0.591601731379032
Energy: 0.6187132252673186
Energy: 0.6127682894052262
Energy: 0.5953809594512177
Energy: 0.6299245988267276
Energy: 0.6353423950035445
Energy: 0.5708466989827296
Energy: 0.6025990022776175
Energy: 0.6779461970552235
Energy: 0.6246556480311788
Energy: 0.619525063275528
Energy: 0.6220087619429235
Energy: 0.674374675416151
Energy: 0.6065264426638911
Energy: 0.6213459411820434
Energy: 0.6004782026039395
Energy: 0.5989066412467189
Energy: 0.6641933962596144
Energy: 0.6127305180283048
Energy: 0.5863846731267464
Energy: 0.6196085468649115
Energy: 0.573484119054091
Energy: 0.6217434527876284
Energy: 0.6260647536009563
Energy: 0.6384626294399612
Energy: 0.6806308051842442
Energy: 0.6904744452126593
Energy: 0.63760660828386
Energy: 0.6288355975959524
Energy: 0.6932725862849344
Energy: 0.5726182269543741
Energy: 0.6536581655841196
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Energy: 0.6135308634803937
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Energy: 0.5786159047935567
Energy: 0.6518916602008331
Energy: 0.613049447986636
Energy: 0.6508145546011181
Energy: 0.6464440752536194
Energy: 0.672153625744913
Energy: 0.7979851699576642
Energy: 0.6262189979198992
Energy: 0.5846557927820099
Energy: 0.6158663131475803
Energy: 0.6368301842360867
Energy: 0.7233057606806754
Energy: 0.5904240936904124
Energy: 0.7028160430768048
Energy: 0.6595160179025273
Energy: 0.5958415784725034
Energy: 0.6457983349162238
Energy: 0.6608941687287052
Energy: 0.6176329582942446
Energy: 0.6300662716605324
Energy: 0.7070192779157065
Energy: 0.5979657737019628
Energy: 0.6500745232890242
Energy: 0.6120726693393217
Energy: 0.581730613616756
Energy: 0.5487510606364064
Energy: 0.6001614208935145
Energy: 0.6146435185653586
Energy: 0.5731638393782271
Energy: 0.5766847308692251
Energy: 0.6162443160201854
Energy: 0.6144617405703812
Energy: 0.5946899997242473
Energy: 0.6159304810714291
Energy: 0.6173936128549898
Energy: 0.5728404904773791
Energy: 0.5900559794285688
Energy: 0.6235745711742176
Energy: 0.5904890157195977
Energy: 0.5735386746363618
Energy: 0.5729139619212964
Energy: 0.6055521775530663
Energy: 0.6494364285817349
Energy: 0.5942292904241413
Energy: 0.6271890770362806
Energy: 0.6326030072642714
Energy: 0.5716922364744523
Energy: 0.589825937209573
Energy: 0.61450017089418
Energy: 0.6211043766414198
Energy: 0.6184441174775903
Energy: 0.6533975021881117
Energy: 0.7067942793021329
Energy: 0.6829486671513336
Energy: 0.6327378763314395
Energy: 0.6125707519587897
Energy: 0.5919199481313488
Energy: 0.5788939455111637
Energy: 0.6154917542616763
Energy: 0.6211196866049957
Energy: 0.5517611858724443
Energy: 0.6312065701999728
Energy: 0.6006517871079071
Energy: 0.6628258389881174
Energy: 0.5928510010215066
Energy: 0.6250986020002061
Energy: 0.728586309471477
Energy: 0.6456215313850268
Energy: 0.6341951680337634
Energy: 0.7241177694107668
Energy: 0.6255608436893757
Energy: 0.5847052562204328
Energy: 0.6481813107098842
Energy: 0.6261736116362481
Energy: 0.6296327747731473
Energy: 0.7181388512790918
Energy: 0.6943189667400345
Energy: 0.5787966847877853
Energy: 0.6669875229324405
Energy: 0.6917407922104054
Energy: 0.6279557258387499
Energy: 0.6216440882016053
Energy: 0.6455869591546943
Energy: 0.6449347599369601

minimum gb energy = 0.5487510606364064 eV
minimum distance =  2.61447043883045 Angstroms
sigma value = 113


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

Energy: 0.6840270849850788
Energy: 0.7897372991630259
Energy: 0.7571659643712466
Energy: 0.6554706080218492
Energy: 0.7439568823054992
Energy: 0.7039228513859684
Energy: 0.7749838168622125
Energy: 0.7008014285084017
Energy: 0.7579973415205904
Energy: 0.6745625610515628
Energy: 0.7945268619578291
Energy: 0.7686725581725714
Energy: 0.7588658462005295
Energy: 0.6760219247090561
Energy: 0.7403603280082944
Energy: 0.7683058061630105
Energy: 0.6813118704365048
Energy: 0.7405227371622097
Energy: 0.7031153292869938
Energy: 0.7030082988183081
Energy: 0.6886488287802041
Energy: 0.7094506664336472
Energy: 0.7498950087875478
Energy: 0.7035208071868609
Energy: 0.6979983339506387
Energy: 0.7332422887140013
Energy: 0.7165189929877064
Energy: 0.7623816652874366
Energy: 0.6927785630123966
Energy: 0.7690895746997501
Energy: 0.6710644528490867
Energy: 0.7124465374900852
Energy: 0.6943549486940778
Energy: 0.679006614221715
Energy: 0.7185692075554726
Energy: 0.6432215162166333
Energy: 0.6751280741926313
Energy: 0.7030992131589968
Energy: 0.669414610590803
Energy: 0.6523388005518289
Energy: 0.6600240238809516
Energy: 0.6969361624235031
Energy: 0.6597132560862189
Energy: 0.6816285965546208
Energy: 0.6682437544014223
Energy: 0.6433613909414587
Energy: 0.6895122138765056
Energy: 0.6868169066390573
Energy: 0.6737327238657603
Energy: 0.6200389826594042
Energy: 0.6459855636139785
Energy: 0.636442821462121
Energy: 0.7494717421299777
Energy: 0.7100414616523841
Energy: 0.646584042352436
Energy: 0.6536538460043071
Energy: 0.6003256903661348
Energy: 0.6372892219130901
Energy: 0.7068541490483723
Energy: 0.6266501036812807
Energy: 0.6299488907515675
Energy: 0.7256864309492921
Energy: 0.7215893422250068
Energy: 0.6998630667080349
Energy: 0.7252409361593206
Energy: 0.6536422869625463
Energy: 0.6240988521165666
Energy: 0.6215627777310702
Energy: 0.6843098982683136
Energy: 0.6765428842244379
Energy: 0.7042313969210309
Energy: 0.6218869763185056
Energy: 0.6083539593588352
Energy: 0.629183176650642
Energy: 0.636993119849421
Energy: 0.683567229064694
Energy: 0.6866915775960628
Energy: 0.6202466433438725
Energy: 0.6005684590546062
Energy: 0.701508249343724
Energy: 0.713506592118865
Energy: 0.6880183297838242
Energy: 0.6943916168763057
Energy: 0.7002097473307507
Energy: 0.6406359976518394
Energy: 0.617517840198954
Energy: 0.6312477120701926
Energy: 0.7095119293128184
Energy: 0.6857402233431712
Energy: 0.6646013377154457
Energy: 0.6391764656607766
Energy: 0.6694856331854929
Energy: 0.6646434158565823
Energy: 0.6568892072771854
Energy: 0.6592416027611829
Energy: 0.6491432192180409
Energy: 0.6664514491160377
Energy: 0.63747180360824
Energy: 0.6182221601118834
Energy: 0.7397785946149785
Energy: 0.6745089684814393
Energy: 0.6580470550417447
Energy: 0.6272193591948991
Energy: 0.6932147058822271
Energy: 0.700334935266879
Energy: 0.6817696635773629
Energy: 0.6908573309908705
Energy: 0.6405354888793418
Energy: 0.6913081859493727
Energy: 0.6760698825423993
Energy: 0.6805088756127514
Energy: 0.7102905759998444
Energy: 0.690058881033128
Energy: 0.7494624492854864
Energy: 0.684023251703072
Energy: 0.7098823768265882
Energy: 0.6926574524997324
Energy: 0.7132043250541208
Energy: 0.7091736013567134
Energy: 0.673751957814321
Energy: 0.7137358316157103
Energy: 0.6913521750532914
Energy: 0.7222980471338099
Energy: 0.6823627326870916
Energy: 0.709291571784579
Energy: 0.6836920346805551
Energy: 0.6845284095645635
Energy: 0.7614190665636484
Energy: 0.7037166146571345
Energy: 0.681164838259514
Energy: 0.7331144646552811
Energy: 0.7019749450408751
Energy: 0.7789356133976036
Energy: 0.7067654042841501
Energy: 0.8193648273706897
Energy: 0.7078365628054242
Energy: 0.7544590945103342
Energy: 0.7237751896923549
Energy: 0.7166070828417597
Energy: 0.8150628272357666
Energy: 0.7547268978400216
Energy: 0.698462854542428
Energy: 0.6437227459612133
Energy: 0.729594523193854
Energy: 0.6741770919513721
Energy: 0.6820099758433005
Energy: 0.6827085281107886
Energy: 0.6558985782087343
Energy: 0.7485917630422774
Energy: 0.7093827248674114
Energy: 0.7051385502866512
Energy: 0.6803191564952153
Energy: 0.6560864210932226
Energy: 0.6844626274106016
Energy: 0.6897147074383577
Energy: 0.7419628385427893
Energy: 0.7494337768504543
Energy: 0.6560860117106472
Energy: 0.7383603976804303
Energy: 0.7055712765231867
Energy: 0.7761530488081672
Energy: 0.7011697873552257
Energy: 0.7585779146207664
Energy: 0.6587308093619513
Energy: 0.732517766924741
Energy: 0.765571653064772
Energy: 0.6346050872610888
Energy: 0.676084097990694
Energy: 0.6718811593625362
Energy: 0.7670625627298312
Energy: 0.7272296911238646
Energy: 0.7405797111357629
Energy: 0.676223574338605
Energy: 0.7114631722697276
Energy: 0.686273738845593
Energy: 0.7101462528860173
Energy: 0.7638027483930252
Energy: 0.703560602631588
Energy: 0.6984025577965184
Energy: 0.7561192405304382
Energy: 0.7138178129203978
Energy: 0.7633538178847793
Energy: 0.6490630932700149
Energy: 0.7692612110857111
Energy: 0.6996716840919464
Energy: 0.7195488422022164
Energy: 0.6800538391911168
Energy: 0.7003073264485364
Energy: 0.7194588708026519
Energy: 0.642269924422042
Energy: 0.6754483396925847
Energy: 0.6698839721936911
Energy: 0.666853316661428
Energy: 0.6532833879815351
Energy: 0.661528632363362
Energy: 0.6972917604464924
Energy: 0.6613668162314633
Energy: 0.6761683642358762
Energy: 0.652767252872975
Energy: 0.6956350815175049
Energy: 0.6910590394833872
Energy: 0.6639823117126821
Energy: 0.6958949075875777
Energy: 0.660137944058261
Energy: 0.6444768926142131
Energy: 0.6389296643830932
Energy: 0.7496858954409963
Energy: 0.7033778886425824
Energy: 0.6281439234882551
Energy: 0.6540645584630962
Energy: 0.5996852569871544
Energy: 0.6380324501052775
Energy: 0.7061682718571255
Energy: 0.622915051897468
Energy: 0.6996788234417561
Energy: 0.7024397847413283
Energy: 0.7285527651161274
Energy: 0.6611368184135678
Energy: 0.7160598839405419
Energy: 0.6489021155722184
Energy: 0.622040741224308
Energy: 0.629128839842396
Energy: 0.6886061229693986
Energy: 0.6117957141472604
Energy: 0.702264381521441
Energy: 0.643052620000016
Energy: 0.63588505315898
Energy: 0.6448184235375585
Energy: 0.6113971591469791
Energy: 0.6899205871498153
Energy: 0.6869507157949549
Energy: 0.6195030865275682
Energy: 0.6446963030814389
Energy: 0.7210576649583571
Energy: 0.597069704246739
Energy: 0.7025754958274644
Energy: 0.6949875983422669
Energy: 0.6926625407724712
Energy: 0.6404627478061725
Energy: 0.6222792720191871
Energy: 0.6338079511135744
Energy: 0.7131400950163802
Energy: 0.7021531766865026
Energy: 0.6622233369899014
Energy: 0.6116409305470746
Energy: 0.6612358312211413
Energy: 0.6660367993406662
Energy: 0.7047563057882235
Energy: 0.6593291806173686
Energy: 0.6551947378153846
Energy: 0.7031720603257837
Energy: 0.6277410879560676
Energy: 0.6178619175877758
Energy: 0.6664134949818029
Energy: 0.667511781944029
Energy: 0.6177824953239699
Energy: 0.626354971950159
Energy: 0.6491480834253508
Energy: 0.6662149532292233
Energy: 0.6892924588270329
Energy: 0.7020066338352343
Energy: 0.643206291325755
Energy: 0.6886459338775411
Energy: 0.7077624076425774
Energy: 0.6790238392356471
Energy: 0.7094906721712411
Energy: 0.6788176694851169
Energy: 0.6862895037275123
Energy: 0.6851568753641482
Energy: 0.6840069758956293
Energy: 0.7253642358528206
Energy: 0.6801192057787113
Energy: 0.6865458404527887
Energy: 0.6753289318229533
Energy: 0.7142907533837647
Energy: 0.6977735507011908
Energy: 0.7212618255177348
Energy: 0.70991611345131
Energy: 0.7039021211194335
Energy: 0.7323551786499711
Energy: 0.7018317440434703
Energy: 0.759902994225534
Energy: 0.650743269513025
Energy: 0.7353994519916401
Energy: 0.7751638302131078
Energy: 0.6574930560447597
Energy: 0.7736586381613104
Energy: 0.7075666829516566
Energy: 0.7629974790545397
Energy: 0.7079440211114891
Energy: 0.6958671939889767
Energy: 0.6994479050856265
Energy: 0.7057767601195928
Energy: 0.738981923658842
Energy: 0.7023798852421654
Energy: 0.7102117562097592
Energy: 0.6425775272126901
Energy: 0.6780139216772666
Energy: 0.6798280173708375
Energy: 0.6529005208569244
Energy: 0.6413530967298908
Energy: 0.7450125485771616
Energy: 0.7474885389232812
Energy: 0.708838408779277
Energy: 0.7280284327852834
Energy: 0.6735461414929363
Energy: 0.6818196455274118
Energy: 0.7208308218037819
Energy: 0.6816759107594245
Energy: 0.7399896322769272
Energy: 0.7481887985983571
Energy: 0.6539065446560036
Energy: 0.7378159778122532
Energy: 0.7160998063868926
Energy: 0.7756518346982963

minimum gb energy = 0.597069704246739 eV
minimum distance =  2.56387424802539 Angstroms
sigma value = 365


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

Energy: 0.65412485230735
Energy: 0.6276609567959797
Energy: 0.6454805552689326
Energy: 0.6320826878571164
Energy: 0.6337651993663553
Energy: 0.6416659036733411
Energy: 0.6286146759242377
Energy: 0.6507942592485624
Energy: 0.7375616209292468
Energy: 0.6053869302103988
Energy: 0.6020035410809426
Energy: 0.6037513434622911
Energy: 0.6037617227132409
Energy: 0.7366318740327624
Energy: 0.6326700562001706
Energy: 0.7550754849992547
Energy: 0.60481843964916
Energy: 0.6295707335773573
Energy: 0.6028695810643677
Energy: 0.6045679168447219
Energy: 0.6225839361773627
Energy: 0.6330718477199063
Energy: 0.7540779136751881
Energy: 0.6052256204104624
Energy: 0.6294829780011804
Energy: 0.632241355133481
Energy: 0.604705779613477
Energy: 0.6236292715090869
Energy: 0.6532503046696172
Energy: 0.737243518472043
Energy: 0.6109729692515927
Energy: 0.7393934479560543
Energy: 0.6027814552023022
Energy: 0.6106171468535608
Energy: 0.7360406185772803
Energy: 0.6355505848144588
Energy: 0.7660824063754995
Energy: 0.6047189531271497
Energy: 0.6314172389669137
Energy: 0.6328107204096981
Energy: 0.6033280925957387
Energy: 0.6286534958991618
Energy: 0.633233294490884
Energy: 0.7386329478255976
Energy: 0.6047348337443993
Energy: 0.6025914611109023
Energy: 0.6029118906415837
Energy: 0.6043816899225753
Energy: 0.7379804240917759
Energy: 0.632219753843392
Energy: 0.7462070380858479
Energy: 0.6053516639225972
Energy: 0.6031807296791115
Energy: 0.6024655964284044
Energy: 0.605054181833677
Energy: 0.742289093096218
Energy: 0.6350305382510752
Energy: 0.7670502462685578
Energy: 0.6042254331225416
Energy: 0.6301520183744297
Energy: 0.6323619849181363
Energy: 0.6033316054244264
Energy: 0.6261223997900741
Energy: 0.6534773303801819
Energy: 0.7382438461671141
Energy: 0.6115809346367221
Energy: 0.7389532031470896
Energy: 0.7389299827663298
Energy: 0.6106906057996686
Energy: 0.7364587129891896
Energy: 0.6340838186043294
Energy: 0.7668489153811046
Energy: 0.6042335448819279
Energy: 0.6302669418463636
Energy: 0.6323204185138779
Energy: 0.6037408188578195
Energy: 0.6253381156103481
Energy: 0.6332423808565368
Energy: 0.7400968872483052
Energy: 0.6049667965542962
Energy: 0.603410658779415
Energy: 0.6024497511235338
Energy: 0.6050117427917159
Energy: 0.7483091046229294
Energy: 0.6323717700560495
Energy: 0.7371047074163538
Energy: 0.6049418233045999
Energy: 0.6027215769541757
Energy: 0.6034110059216021
Energy: 0.6043048436445254
Energy: 0.7374810152843111
Energy: 0.6347229435254799
Energy: 0.7633690264786261
Energy: 0.6040614418273039
Energy: 0.6318432346503513
Energy: 0.6339269642321862
Energy: 0.6419874969264127
Energy: 0.628724711968188
Energy: 0.6520832914123312
Energy: 0.7374304988215113
Energy: 0.6105434301296299
Energy: 0.6020527100401254
Energy: 0.6034164433654854
Energy: 0.6048594657231988
Energy: 0.7364551696166581
Energy: 0.6327948460822055
Energy: 0.7555970389038713
Energy: 0.6053304975609772
Energy: 0.6285637580986152
Energy: 0.6329546228120754
Energy: 0.604935794258729
Energy: 0.623115984156385
Energy: 0.633360589676975
Energy: 0.7551820143631016
Energy: 0.6050292657392101
Energy: 0.6297125364506597
Energy: 0.603833198380854
Energy: 0.6053153086136651
Energy: 0.6233581206665852
Energy: 0.6516135596843741
Energy: 0.736569195738891
Energy: 0.6033664352309628
Energy: 0.6022419741204912
Energy: 0.6035174542049272
Energy: 0.6040452885872463
Energy: 0.7359852379851232
Energy: 0.634805828672209
Energy: 0.7611306829520293
Energy: 0.6456851971769152
Energy: 0.6320150905998159
Energy: 0.6339482409161462
Energy: 0.6414113836240527
Energy: 0.628294228269109
Energy: 0.6299359493511953
Energy: 0.7371605857530296
Energy: 0.6052975167571729
Energy: 0.6022417617303749
Energy: 0.603862702649044
Energy: 0.6045230037919385
Energy: 0.7371981955895656

minimum gb energy = 0.6020035410809426 eV
minimum distance =  2.61751816280392 Angstroms
sigma value = 23