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=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.487144187092781
cohesive_energy=4.453657130216031
mass=58.6934
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=[2.06898681808224e-19, 2.92584690371178e-19, 3.5753052240700195e-19, 4.1003224852654793e-19, 4.544093369350799e-19, 4.924434080496059e-19, 5.249275393039559e-19, 5.531258480623559e-19, 5.777448942204e-19, 5.99298976477602e-19, 6.1818383246256e-19, 6.34723101855342e-19, 6.492131873332379e-19, 6.6191524368759e-19, 6.729270036930719e-19, 6.82322167474848e-19, 6.9024973745988e-19, 6.9684269430879e-19, 7.022115882093239e-19, 7.06446141052986e-19, 7.096248594948419e-19, 7.11818239306788e-19, 7.1308876537755e-19, 7.134989225958539e-19, 7.130679370813079e-19, 7.117028825891399e-19, 7.092819936951659e-19, 7.055985896135999e-19, 7.00324224134472e-19, 6.931272466945439e-19, 6.836984372034539e-19, 6.716741015652839e-19, 6.56602425969246e-19, 6.379258529467079e-19, 6.149602530749519e-19, 5.86898129330442e-19, 5.52728508257124e-19, 5.11068711419856e-19, 4.60252475119278e-19, 3.9828508944605997e-19, 3.2272643938661995e-19, 2.3085763119306e-19, 1.17659045471058e-19, -2.3177087187444e-20, -1.98844539869106e-19, -4.19627684387574e-19, -6.996977730705779e-19, -1.0580245772646779e-18, -1.523907101075832e-18, -2.13675888970044e-18, -2.9523629270044796e-18, -4.041490559265e-18, -5.4701674855691395e-18, -7.097754640984379e-18]
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: -8.48587586902969e-25 eV

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

Energy: 0.022606861039785216
Energy: 0.5332132103554111
Energy: 0.5329181430033797
Energy: 1.4307848808979975
Energy: 1.2861424891276174
Energy: 0.4377257352908719
Energy: 0.023202303781905728
Energy: 0.13424271341118388
Energy: 1.287812243704306
Energy: 0.3607179389437295
Energy: 0.5329619554672225
Energy: 0.5332711984640915
Energy: 0.02469126065897983
Energy: 0.1371453440709347
Energy: 0.023141612916997647
Energy: 1.0613974595715048
Energy: 0.34933767883408906
Energy: 0.532502782633098
Energy: 0.5324107421339613
Energy: 0.1352506608739985
Energy: 0.13679259260043836
Energy: 0.026209702354570014
Energy: 0.5340443624135155
Energy: 0.5344858237606207
Energy: 1.4300560585350002
Energy: 1.2852722190020271
Energy: 0.13565308618234587
Energy: 0.02428245150510588
Energy: 0.13496252032214623
Energy: 1.2888530464014276
Energy: 0.36034875197593297
Energy: 0.5335517231776277
Energy: 0.1379368317263925
Energy: 0.023990357375307313
Energy: 0.1374021439902208
Energy: 0.022988629622717183
Energy: 1.0630971721806919
Energy: 0.5326141036530355
Energy: 0.532007575759724
Energy: 1.1685390323372369
Energy: 0.13490368926251467
Energy: 0.13651879310360915

minimum gb energy = 0.022606861039785216 eV
minimum distance =  2.4420584503156 Angstroms
sigma value = 5


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

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Energy: 1.557536172520973
Energy: 1.7987375855907157
Energy: 1.6554516686650382
Energy: 1.6094587088875594
Energy: 1.669177067548978
Energy: 1.5636589629570643
Energy: 1.5513784676916929
Energy: 1.6652352931613068
Energy: 1.5529204282100362
Energy: 1.6913892596298412
Energy: 1.6296130897570171
Energy: 1.5794552121464036
Energy: 1.6518956338069615
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Energy: 1.6422984705402546
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Energy: 1.6732739462816715
Energy: 1.565621323330918
Energy: 1.6942094632566918
Energy: 1.7332387633313924
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Energy: 1.6168970746486424
Energy: 1.680708635612531
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Energy: 1.674103663770199
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Energy: 1.8332105612762764
Energy: 1.6196307992670933
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Energy: 1.7386271294676028
Energy: 1.5654942499828108
Energy: 1.5640813814552013
Energy: 1.619359940173291
Energy: 1.5819882463952215
Energy: 1.6550812445861176
Energy: 1.763947164270276
Energy: 1.6699135129755653
Energy: 1.71808993419199
Energy: 1.7099112249070212
Energy: 1.7001986498832193
Energy: 1.7196791245254397
Energy: 1.680770200285165
Energy: 1.6087215440536613
Energy: 1.7353084338782223
Energy: 1.5549699153140906
Energy: 1.5945982982326778
Energy: 1.6347989883531444
Energy: 1.6201103872224407
Energy: 1.5918776943010635
Energy: 1.7015602491769803
Energy: 1.6123476785647683
Energy: 1.656918266399179
Energy: 1.7060026954910719
Energy: 1.71473181283113
Energy: 1.6192527729875128
Energy: 1.6435461864408745
Energy: 1.6025176962014158
Energy: 1.6667670952205018
Energy: 1.5647791153635857
Energy: 1.6564463861287972
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Energy: 1.7249740426352669
Energy: 1.665980241354444
Energy: 1.6029890293439593
Energy: 1.6815926414797149
Energy: 1.6495187642943627

minimum gb energy = 1.5433772755496005 eV
minimum distance =  2.21988159724848 Angstroms
sigma value = 401


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

Energy: 1.739284879064213
Energy: 1.9052436317152013
Energy: 1.6905661698072858
Energy: 1.6316192665065499
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Energy: 1.7070080638894578
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Energy: 1.6135499292660163
Energy: 1.5752177676522503
Energy: 1.5837191412864673
Energy: 1.705281775324642
Energy: 1.717595831875269
Energy: 1.5947725271799793
Energy: 1.6007105161528965
Energy: 1.5771738845545233
Energy: 1.5723522743095324
Energy: 1.6280096896069944
Energy: 1.7409749673884665
Energy: 1.6658932753900209
Energy: 1.7186208279579502
Energy: 1.6159214572129423
Energy: 1.5896121083750228
Energy: 1.574504750630345
Energy: 1.600439229914312
Energy: 1.7149615181287263
Energy: 1.6806546406180656
Energy: 1.64038396111644
Energy: 1.6771873329320348
Energy: 1.6060798346766458
Energy: 1.6442652345422049
Energy: 1.7262615194181685
Energy: 1.6546136995079876
Energy: 1.6470860038801174
Energy: 1.6921553906285403
Energy: 1.6355072042378047
Energy: 1.639374795123203
Energy: 1.585757718393433
Energy: 1.5990767296864177
Energy: 1.626435647656731
Energy: 1.6096136298713049
Energy: 1.6113417976861586
Energy: 1.6944281881530168
Energy: 1.5915634650506862
Energy: 1.5673421379849963
Energy: 1.6144631718357936
Energy: 1.5916851772919691
Energy: 1.6058424624290943
Energy: 1.643279987108104
Energy: 1.6905349091581512
Energy: 1.6216737429463248
Energy: 1.621548940799688
Energy: 1.6328961438647036
Energy: 1.6082693759060667
Energy: 1.6316219649015387
Energy: 1.6122229103612296
Energy: 1.6336917436961937
Energy: 1.5749433245143165
Energy: 1.5909137592796718
Energy: 1.7021808210568072
Energy: 1.5963732901419827
Energy: 1.6160293535964125
Energy: 1.678299607445473
Energy: 1.572095087960272
Energy: 1.6306597560372416
Energy: 1.6260165233696342
Energy: 1.656277635467708
Energy: 1.7267010521903325
Energy: 1.6474266889122895
Energy: 1.663294317231426
Energy: 1.6425066331500888
Energy: 1.6147043379594193
Energy: 1.6215200613205554
Energy: 1.6071696549468395
Energy: 1.6801694432031042
Energy: 1.8306587016188576
Energy: 1.7066814500486414
Energy: 1.7702329999245554
Energy: 1.6979600936894887
Energy: 1.5708543862271314
Energy: 1.6009114041540855
Energy: 1.7373501553427884
Energy: 1.683732076722512
Energy: 1.6244619698851226
Energy: 1.5870372141276554
Energy: 1.6089619796018155
Energy: 1.6142460612251808
Energy: 1.626151282237903
Energy: 1.7326608784011035
Energy: 1.616195317612075
Energy: 1.687397734576793
Energy: 1.5718930776266697
Energy: 1.625560249649598
Energy: 1.567209795207173
Energy: 1.602498839147974
Energy: 1.7579358182387592
Energy: 1.6450838884660703
Energy: 1.6287943259639535
Energy: 1.6468605204167461
Energy: 1.6134527259946434
Energy: 1.6552316053733591
Energy: 1.6842302415396224
Energy: 1.6376492384483936
Energy: 1.609232113831474
Energy: 1.655228302849943
Energy: 1.6305110096692634
Energy: 1.6116493622472876
Energy: 1.6243146633332242
Energy: 1.652766123402202
Energy: 1.6358043158106919
Energy: 1.6187341705887621
Energy: 1.6135138850365718
Energy: 1.6313269987272938
Energy: 1.5730823965968332
Energy: 1.6173058822315263
Energy: 1.6007408029258565
Energy: 1.673050191325371

minimum gb energy = 1.5661031684386406 eV
minimum distance =  2.21408390080202 Angstroms
sigma value = 311


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

Energy: 1.67914343487179
Energy: 1.6038850175098756
Energy: 1.759043998921816
Energy: 1.5944401660886502
Energy: 1.6856103052878846
Energy: 1.7033108551424976
Energy: 1.6385538505299964
Energy: 1.6493345562109405
Energy: 1.650817448877911
Energy: 1.6857953139751947
Energy: 1.6478993395961188
Energy: 1.6792417847422074
Energy: 1.6642778834998047
Energy: 1.6945079208521594
Energy: 1.6362499923635538
Energy: 1.6775956426023428
Energy: 1.6412581391205807
Energy: 1.5834834071723538
Energy: 1.6787976575806496
Energy: 1.646911902931124
Energy: 1.645663139584138
Energy: 1.6326196791237513
Energy: 1.7459771125683519
Energy: 1.5929321413669346
Energy: 1.6238377478282982
Energy: 1.648223926367431
Energy: 1.6620302339307658
Energy: 1.678613783231389
Energy: 1.6867222302352125
Energy: 1.7042885799561434
Energy: 1.6758870947494406
Energy: 1.8044934485386608
Energy: 1.6603837951786888
Energy: 1.6197644002322689
Energy: 1.726910518816179
Energy: 1.629045727314696
Energy: 1.663942455037563
Energy: 1.6279959302830351
Energy: 1.6167826405328867
Energy: 1.6878264488680759
Energy: 1.6299285496783673
Energy: 1.647515498034607
Energy: 1.7148109996422127
Energy: 1.7042960913449492
Energy: 1.6486479634271471
Energy: 1.6628911006098812
Energy: 1.6402897990350145
Energy: 1.6618471976720377
Energy: 1.6897921724169016
Energy: 1.6761775220613
Energy: 1.6700622042622746
Energy: 1.6369051995707093
Energy: 1.707724349796269
Energy: 1.7432957267552867
Energy: 1.7484689457743394
Energy: 1.6583655906352646
Energy: 1.7084561532829239
Energy: 1.6868100806516517
Energy: 1.628812102188498
Energy: 1.7226507934959268
Energy: 1.6522719444331275
Energy: 1.583162133060471
Energy: 1.6265144617324918
Energy: 1.6243658484634418
Energy: 1.7819862825950852
Energy: 1.6278308493991458
Energy: 1.7589967663731316
Energy: 1.6476407525715235
Energy: 1.6316375606817435
Energy: 1.6405718508594902
Energy: 1.6685448779853944
Energy: 1.6257614299822272
Energy: 1.6611277690795387
Energy: 1.6585306928222743
Energy: 1.6699219636501628
Energy: 1.6944074684286043
Energy: 1.7353772822764266
Energy: 1.654964226819621
Energy: 1.66179202850654
Energy: 1.6096630661298845
Energy: 1.6277095858819517
Energy: 1.6404713555284904
Energy: 1.6156742631407888
Energy: 1.7200370479379201
Energy: 1.716716673184614
Energy: 1.6701411343178703
Energy: 1.7441385699328826
Energy: 1.5941928960749832
Energy: 1.6477677675878009
Energy: 1.6421405984364463
Energy: 1.6583822209400565
Energy: 1.6851012209292269
Energy: 1.7213087840466197
Energy: 1.651863673861715
Energy: 1.7181730204358856
Energy: 1.7587977667108525
Energy: 1.7893718540262562
Energy: 1.865095422994733
Energy: 1.7060819249855435
Energy: 1.7062483555105994
Energy: 1.690560758679183
Energy: 1.6915665583257546
Energy: 1.677907144440974
Energy: 1.694226575823746
Energy: 1.6592619515946094
Energy: 1.6297615613425904
Energy: 1.6592918272259878
Energy: 1.651716535006644
Energy: 1.6727583260961667
Energy: 1.7062358517632494
Energy: 1.6281927925668185
Energy: 1.674197715961404
Energy: 1.6798042354785965
Energy: 1.6577788571348524
Energy: 1.6748065076020706
Energy: 1.688410286426519
Energy: 1.6935135647900814
Energy: 1.6646416403692315
Energy: 1.6770471712329529
Energy: 1.5890653136807817
Energy: 1.6779082481047911
Energy: 1.6347510765413378
Energy: 1.6129282806069971
Energy: 1.659535400492823
Energy: 1.630634401270447
Energy: 1.680066987501766
Energy: 1.659538686760398
Energy: 1.6948549174524765
Energy: 1.7648301807169857
Energy: 1.5806683954217997
Energy: 1.696852951184903
Energy: 1.6672979030197934
Energy: 1.686461161856298
Energy: 1.7388841536105213
Energy: 1.648250441619259
Energy: 1.7410003459914845
Energy: 1.7108652183968351
Energy: 1.8109048401280772
Energy: 1.7187876494057217
Energy: 1.8019618025089952
Energy: 1.6731238805780646
Energy: 1.699867212922327
Energy: 1.6807117233111726
Energy: 1.6210419050341132
Energy: 1.6725114889221835
Energy: 1.665480000733779
Energy: 1.6958696934354185
Energy: 1.6390262446536072
Energy: 1.6486724567183895
Energy: 1.647200701110892
Energy: 1.6270196154140135
Energy: 1.6718140463871909
Energy: 1.589409778022753
Energy: 1.7150851788091364
Energy: 1.7043985618544526
Energy: 1.6788583109325252
Energy: 1.6765834007743496
Energy: 1.6726324379184796
Energy: 1.688883797106242
Energy: 1.7260842221765529
Energy: 1.6477593907208345
Energy: 1.691766351343533
Energy: 1.7361109445823855
Energy: 1.620946203157292
Energy: 1.6602024940329692
Energy: 1.644734286636962
Energy: 1.601049835240401
Energy: 1.6780096566977205
Energy: 1.7641364024434143
Energy: 1.6653628645024772
Energy: 1.7012378951336344
Energy: 1.6871942369554402
Energy: 1.633034170460368
Energy: 1.6650670121372728
Energy: 1.6202192017180859
Energy: 1.7392950015085171
Energy: 1.7047222333239545
Energy: 1.6517462006901007
Energy: 1.7390578270788548
Energy: 1.8796838464533183
Energy: 1.6940664112713348
Energy: 1.7635445878335594
Energy: 1.6336110754576048
Energy: 1.685401956241119
Energy: 1.66211680282563
Energy: 1.584345692606199
Energy: 1.631020597035726
Energy: 1.6305031932216136
Energy: 1.6108932199498096
Energy: 1.6321470826693
Energy: 1.639809440253636
Energy: 1.6882020592451035
Energy: 1.6629752359382688
Energy: 1.634744898694545
Energy: 1.610953058360192
Energy: 1.59269661250415
Energy: 1.707511718128006
Energy: 1.6625082174587136
Energy: 1.6625295398083633
Energy: 1.8769832979124519
Energy: 1.7053297571527428
Energy: 1.6354189174359943
Energy: 1.67380419687952
Energy: 1.726600701884311
Energy: 1.6554732877758986
Energy: 1.6119245320968636
Energy: 1.6687079203070563
Energy: 1.6613374015272875
Energy: 1.684597102929137
Energy: 1.590309492993132
Energy: 1.6401572534909985
Energy: 1.6109847238317363
Energy: 1.7201116307002082
Energy: 1.5813725752754293
Energy: 1.6616530046758842
Energy: 1.6055919515005699
Energy: 1.650584478946672
Energy: 1.6497701796033066
Energy: 1.6557168847220722
Energy: 1.6497868784626921
Energy: 1.718446196816487
Energy: 1.8325046871295472
Energy: 1.7119568799216132
Energy: 1.7457734119560873
Energy: 1.6750710520394627
Energy: 1.5574085355499871
Energy: 1.6524262927374842
Energy: 1.6241724330226446
Energy: 1.6538494465337372
Energy: 1.618387124688705
Energy: 1.6059498361491185
Energy: 1.5963035970782062
Energy: 1.6696656931999636
Energy: 1.6346716880522172
Energy: 1.6766643276237794
Energy: 1.657790085345491
Energy: 1.6818790109923223
Energy: 1.6442527422951485
Energy: 1.6490765152547493
Energy: 1.7105368858334313
Energy: 1.7151455965721296
Energy: 1.8638019386006843
Energy: 1.6855224611945654
Energy: 1.673613138987534
Energy: 1.6769489211231483
Energy: 1.6584987318821907
Energy: 1.7469102793231088
Energy: 1.717902931091478
Energy: 1.726638184692433
Energy: 1.6676972889579207
Energy: 1.6843134857489548
Energy: 1.6324220941091019

minimum gb energy = 1.5574085355499871 eV
minimum distance =  2.25733450744752 Angstroms
sigma value = 39


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

Energy: 1.542451324971372
Energy: 1.6171903073617975
Energy: 2.028259378933224
Energy: 1.8520777391310332
Energy: 1.6505759289413864
Energy: 1.7100635327624805
Energy: 1.5175519797547021
Energy: 1.6175026729275246
Energy: 1.660067638190595
Energy: 1.7087955495241978
Energy: 1.6607479759089334
Energy: 1.5991997994499962
Energy: 1.616596008563953
Energy: 1.6206816518414255
Energy: 1.6149476303842598
Energy: 1.574416273157244
Energy: 1.5850813562490824
Energy: 1.6431622075753827
Energy: 1.598080979813568
Energy: 1.6151905017418695
Energy: 1.6139711145113953
Energy: 1.615448806007783
Energy: 1.5666897446413954
Energy: 1.7153096990368961
Energy: 1.5973843513900108
Energy: 1.6425017116930904
Energy: 1.7138291883046057
Energy: 1.681449087076081
Energy: 1.616205509164946
Energy: 1.5958419561553787
Energy: 1.7379399865826224
Energy: 1.589767925253297
Energy: 1.6652919478412465
Energy: 1.7126414389513638
Energy: 1.6136862295702572
Energy: 1.516014187118016
Energy: 1.5968002989879477
Energy: 1.5862831271919964
Energy: 1.5673831323012712
Energy: 1.661358970939081
Energy: 1.6133464680710594
Energy: 1.6133946173448421
Energy: 1.6252600061628366
Energy: 1.6323001072669334
Energy: 1.5816392617423738
Energy: 1.6223565112108005
Energy: 1.5200696338110318
Energy: 1.5232217003939736
Energy: 1.6015306770695361
Energy: 1.5206426593403997
Energy: 1.6665792093926621
Energy: 1.7373767634761395
Energy: 1.5719211195157532
Energy: 1.7396755288954966
Energy: 1.5830091621114901
Energy: 1.6171974263357063
Energy: 1.5160347230793254
Energy: 1.6640794405682229
Energy: 1.7078302516398247
Energy: 1.5742803260940876
Energy: 1.5951227526428244
Energy: 1.5824878593353773
Energy: 1.6247318909330277
Energy: 1.6235765025804996
Energy: 1.6335624670064528
Energy: 1.7179158841668956
Energy: 1.6432077566428598
Energy: 1.5992235663314678
Energy: 1.6121724233040344
Energy: 1.612853400293555
Energy: 1.616437497744538
Energy: 1.5717171026952466
Energy: 1.5983483429351253
Energy: 1.5704757684990298
Energy: 1.5961363211569117
Energy: 1.6286044302698774
Energy: 1.6810321659430942
Energy: 1.63124443612398
Energy: 1.5988701406929917
Energy: 1.6911401361168876
Energy: 1.5695726017412517
Energy: 1.6616701675739485
Energy: 1.7159580741952407
Energy: 1.6220732821412496
Energy: 1.5198641690715649
Energy: 1.5965317281292941
Energy: 1.7364409535520593
Energy: 1.5942865367368884
Energy: 1.715611149337982
Energy: 1.7195802555125352
Energy: 1.6137557376952893
Energy: 1.6225768412911992
Energy: 1.5774462893498364
Energy: 1.584915633672904
Energy: 1.6453798245543736
Energy: 1.5172203288516048
Energy: 1.5178948529507703
Energy: 1.6346551454735887
Energy: 1.5154287447840467
Energy: 1.6305969519806547
Energy: 1.5884610150614338
Energy: 1.6611996363420003
Energy: 1.517779858542703
Energy: 1.517355242928506
Energy: 1.6220228750431482
Energy: 1.5175918873437373
Energy: 1.731594209522142
Energy: 1.670622404718333
Energy: 1.5897555570476485
Energy: 1.65199319807113
Energy: 1.7103599383986718
Energy: 1.5177960191450912
Energy: 1.6210828015978522
Energy: 1.6591712786441524
Energy: 1.7099192085156847
Energy: 1.6604222352024702
Energy: 1.5991415222171412
Energy: 1.6166654959961595
Energy: 1.6229485695439283
Energy: 1.621847185221589
Energy: 1.574343938545009
Energy: 1.5866003092087315
Energy: 1.645327280354125
Energy: 1.598199533472814
Energy: 1.6150080593347915
Energy: 1.6141845605875276
Energy: 1.6155755552876303
Energy: 1.5981437991484875
Energy: 1.7146653037918789
Energy: 1.5976100344097965
Energy: 1.6427455249759306
Energy: 1.713080774055132
Energy: 1.6821867073716357
Energy: 1.6160583436101275
Energy: 1.5958517344221805
Energy: 1.7088486452695826
Energy: 1.5897414880758323
Energy: 1.665302728271819
Energy: 1.7119659557960927
Energy: 1.613842563297624
Energy: 1.515779465236936
Energy: 1.5970166944284219
Energy: 1.5860954245952872
Energy: 1.567493699876757
Energy: 1.6635029487068977
Energy: 1.517191142952419
Energy: 1.6604936693454826
Energy: 1.6246325098593721
Energy: 1.6315184274651133
Energy: 1.5812728640489548
Energy: 1.6196756059769768
Energy: 1.5181061154584428
Energy: 1.5175387795073212
Energy: 1.6345459206918922
Energy: 1.5202794178863268
Energy: 1.666217973911965
Energy: 1.7184860957962365
Energy: 1.5711378858347758
Energy: 1.7385986179431019
Energy: 1.5824115278672646
Energy: 1.6161946799031803
Energy: 1.5157247008877308
Energy: 1.6629451627752234
Energy: 1.7066041254615414
Energy: 1.5739208529323991
Energy: 1.5948667940034087
Energy: 1.5846418018911508
Energy: 1.624842926897515
Energy: 1.6231816474022738
Energy: 1.634098785830815
Energy: 1.7188211349948785
Energy: 1.6429136289809803
Energy: 1.599110480226762
Energy: 1.611657175105742
Energy: 1.6130133083146205
Energy: 1.6161482405656635
Energy: 1.5715342473803975
Energy: 1.733076465571444
Energy: 1.5703846849292649
Energy: 1.5958001857986719
Energy: 1.5854044768366182
Energy: 1.6824924058095756
Energy: 1.6236303266735594
Energy: 1.5961283960863029
Energy: 1.6964896141091006
Energy: 1.5697944982083367
Energy: 1.6613684904366983
Energy: 1.5881292872442014
Energy: 1.6220416875566794
Energy: 1.520641008481984
Energy: 1.5964139484743871
Energy: 1.7360561960964294
Energy: 1.587440640509044
Energy: 1.7148306835320377
Energy: 1.7301877737444322
Energy: 1.61422507863161
Energy: 1.6227554811185796
Energy: 1.5783912290778512
Energy: 1.585138933320243
Energy: 1.6458262978821603
Energy: 1.5172061675099646
Energy: 1.5178300537431975
Energy: 1.634453625287968
Energy: 1.5155426604404711
Energy: 1.630569479829583
Energy: 1.5885516545537854
Energy: 1.5677814801155248
Energy: 1.5176298887239144
Energy: 1.5174748908297067
Energy: 1.6220057953339226

minimum gb energy = 1.5154287447840467 eV
minimum distance =  2.24166006237303 Angstroms
sigma value = 21


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

Energy: 1.9196346391700936
Energy: 1.5868307839748446
Energy: 1.686726084620467
Energy: 2.0777941380860883
Energy: 1.6144537331403082
Energy: 1.5606964115001472
Energy: 1.8736859269320896
Energy: 1.5782592355590228
Energy: 1.7114082786265445
Energy: 1.8814905601869096
Energy: 1.630529171248534
Energy: 1.5065407114801088
Energy: 1.9280572565592005
Energy: 1.5863399377127423
Energy: 1.5601551832989378
Energy: 1.573181656720037
Energy: 1.6470520065631864
Energy: 1.5800287200305634
Energy: 1.6850588287030996
Energy: 1.7257006134463702
Energy: 1.7742243136257476
Energy: 1.9287730289469354
Energy: 1.5055456737544903
Energy: 1.5974117846498908
Energy: 1.618142006244715
Energy: 1.5882122023173797
Energy: 1.5763345411656686
Energy: 1.7728097694221592
Energy: 1.5524680919245661
Energy: 1.4962154484135415
Energy: 1.6021965446599649
Energy: 1.5464039725424172
Energy: 1.5053377309609612
Energy: 1.6185968041131602
Energy: 1.5977542674393137
Energy: 1.521028396755249
Energy: 1.509506475155435
Energy: 1.6102776737132656
Energy: 1.5518077611732366
Energy: 1.574574838253865
Energy: 1.5836217053092354
Energy: 1.5832632904320045
Energy: 1.7353805071714734
Energy: 1.5491140225119302
Energy: 1.6582728798227877
Energy: 1.5727632448827187
Energy: 1.521592144875045
Energy: 1.5212537540252424
Energy: 1.615061835242136
Energy: 1.5605968405262591
Energy: 1.5053109249343093
Energy: 1.6480669070069296
Energy: 1.6602101338963373
Energy: 1.538770049587907
Energy: 1.5529845074972357
Energy: 1.591819177121586
Energy: 1.576557021917522
Energy: 1.5657488835660553
Energy: 1.6492444502023489
Energy: 1.5746226717373133
Energy: 1.5052867143131545
Energy: 1.774065102124761
Energy: 1.6147921621373174
Energy: 1.7248211274038512
Energy: 1.6834169880995145
Energy: 1.6037876455843358
Energy: 1.801871654292604
Energy: 1.5625663584345968
Energy: 1.6578131184616436
Energy: 1.926974057105606
Energy: 1.560458121388327
Energy: 1.5949703559728634
Energy: 1.6275654885521578
Energy: 1.617831618623364
Energy: 1.5293996967049766
Energy: 1.683645438963676
Energy: 1.6404061279226123
Energy: 1.5608131879837301
Energy: 1.8057060992406477
Energy: 1.8058010885378684
Energy: 1.5807337570726163
Energy: 1.8685195792443665
Energy: 1.8625933891929054
Energy: 1.8017869280307202
Energy: 1.874654035341631
Energy: 1.7296061147124682
Energy: 1.6306049875108581
Energy: 1.805850153510109
Energy: 1.6257013960669127
Energy: 1.5770336373981255
Energy: 1.8237952282334162
Energy: 1.8685011777372973
Energy: 1.615891385114749
Energy: 1.5891750782890581
Energy: 1.5473970084385575
Energy: 1.6508431842513023
Energy: 1.6309554795365022
Energy: 1.6294594854322355
Energy: 1.560705550273015
Energy: 1.5677525366003229
Energy: 1.7769754233218247
Energy: 1.5805498666735192
Energy: 1.9509388768976919
Energy: 1.9266773739125225
Energy: 1.802635212216397
Energy: 1.9268366135766946
Energy: 1.4982625778736909
Energy: 1.6423491183007415
Energy: 1.6176542556457059
Energy: 1.5159101483193367
Energy: 1.6516354991651967
Energy: 1.6383398133743403
Energy: 1.5521329438233549
Energy: 1.590100518018837
Energy: 1.609844350152938
Energy: 1.6144536082530545
Energy: 1.5244696400767368
Energy: 1.5885345950354497
Energy: 1.593901273439166
Energy: 1.520058876775802
Energy: 1.5701401296670041
Energy: 1.6460534876553268
Energy: 1.5691464097097618
Energy: 1.495119653259831
Energy: 1.5835307697007541
Energy: 1.5659791596870303
Energy: 1.5192279390725942
Energy: 1.4984847853402035
Energy: 1.697381901871625
Energy: 1.6470297287077416
Energy: 1.5211129286136171
Energy: 1.521599909527154
Energy: 1.5912461959856454
Energy: 1.5773234564377097
Energy: 1.50562338424559
Energy: 1.6077933451642732
Energy: 1.646918893352776
Energy: 1.5710999156569754
Energy: 1.5527761468385455
Energy: 1.5922231345597577
Energy: 1.6587676476919815
Energy: 1.5646990448655502
Energy: 1.6370785187321562
Energy: 1.636488246237012
Energy: 1.5986141147829809
Energy: 1.773284682451764
Energy: 1.6141876935900883
Energy: 1.7250033102265085
Energy: 1.5286179861404625
Energy: 1.6008028339072413
Energy: 1.627681507084502
Energy: 1.6050915003758723
Energy: 1.5990420331522548
Energy: 1.5888568451386131
Energy: 1.9236948802234584
Energy: 1.4980440399841952
Energy: 1.8382733589814275
Energy: 1.8062548027355343
Energy: 1.5627338532025663
Energy: 1.772559089009368
Energy: 1.6060093260411756
Energy: 1.6600320655521437
Energy: 1.6202493266280387
Energy: 1.7100959481029911
Energy: 1.5806167855708753
Energy: 1.8710969568926832
Energy: 1.8713592748013816
Energy: 1.7974139960509234
Energy: 1.8687374309509184
Energy: 1.6159586494766243
Energy: 1.4738636094625697
Energy: 1.5489459728080455
Energy: 1.6438323227196954
Energy: 1.6620859233969374
Energy: 1.6241772886363428

minimum gb energy = 1.4738636094625697 eV
minimum distance =  2.24313711312695 Angstroms
sigma value = 113


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

Energy: 1.8785911771940667
Energy: 1.7094102324454667
Energy: 2.0229401017544153
Energy: 1.6852350296470466
Energy: 1.9012283399135546
Energy: 1.863994235860802
Energy: 1.652367538561434
Energy: 1.9651735099710306
Energy: 1.823230079262577
Energy: 1.725994309740047
Energy: 1.6247261704509077
Energy: 1.9482995321430654
Energy: 1.6958878537170021
Energy: 1.6704624807208135
Energy: 1.9037332263337268
Energy: 1.6824808207984765
Energy: 1.7917428369261004
Energy: 1.8675282597014977
Energy: 1.9164572219644018
Energy: 1.774716163312361
Energy: 1.6802531414910074
Energy: 1.8052763753544951
Energy: 1.988861269140369
Energy: 1.796220425452257
Energy: 1.9401409872385762
Energy: 1.9141059809127
Energy: 1.797458609848153
Energy: 1.8409202422672235
Energy: 1.5032574378252603
Energy: 1.9135780214932643
Energy: 1.773792236858336
Energy: 1.7398926981010054
Energy: 1.6788710680840369
Energy: 1.7711433834671682
Energy: 1.860198446684866
Energy: 1.6767499776750758
Energy: 1.7242016524700692
Energy: 1.7153837051766443
Energy: 1.6595351683659636
Energy: 1.7018465422104718
Energy: 1.7620982194274857
Energy: 1.7476057197490757
Energy: 1.7181568282397803
Energy: 1.5563876874136537
Energy: 1.7898777070141325
Energy: 1.739839653320994
Energy: 1.7839127292136485
Energy: 1.7551585750298717
Energy: 1.6994214112483434
Energy: 1.6927318702126335
Energy: 1.566528184876297
Energy: 1.6010786890749027
Energy: 1.586377342241125
Energy: 1.7948946432660073
Energy: 1.6384079271339038
Energy: 1.5875466667077527
Energy: 1.5183412235599778
Energy: 1.6982076080028095
Energy: 1.6921315824778143
Energy: 1.570242640543711
Energy: 1.8157851539621839
Energy: 1.77034667644129
Energy: 1.7687571926005063
Energy: 1.8492584431579409
Energy: 1.5932025897477937
Energy: 1.605595001160829
Energy: 1.585246501321712
Energy: 1.6028643058986007
Energy: 1.6537494215861093
Energy: 1.5883383983241046
Energy: 1.6789489579580903
Energy: 1.5770093896196973
Energy: 1.5986335917726262
Energy: 1.5480023100055442
Energy: 1.6458231888997417
Energy: 1.7973877217105099
Energy: 1.6228540056357865
Energy: 1.5503947385095
Energy: 1.5613984406170287
Energy: 1.7706308758633431
Energy: 1.8126007844732337
Energy: 1.731741636799001
Energy: 1.845009360602743
Energy: 1.6455470932994112
Energy: 1.695176951650643
Energy: 1.5407011085656273
Energy: 1.6434746749012175
Energy: 1.6375820838109878
Energy: 1.7038317150844973
Energy: 1.6497934336718338
Energy: 1.555066076648113
Energy: 1.7730012710526573
Energy: 1.5736566247347834
Energy: 1.7163091331511036
Energy: 1.6101607212805946
Energy: 1.5815463542967119
Energy: 1.7284058516458134
Energy: 1.682147916766091
Energy: 1.5921683865349583
Energy: 1.8632139456609798
Energy: 1.6940199312726136
Energy: 1.642087043648763
Energy: 1.5440324577038387
Energy: 1.7079192336242184
Energy: 1.8595181509841754
Energy: 1.5022126701351746
Energy: 1.7145671474893027
Energy: 1.7222238631646305
Energy: 1.7384432400057117
Energy: 1.7302719945811353
Energy: 1.7500754180983258
Energy: 1.813209016789294
Energy: 1.7145326657413555
Energy: 1.6894588961092876
Energy: 1.7177101539590518
Energy: 1.8119423245100865
Energy: 1.8349857167217738
Energy: 1.88298758434025
Energy: 1.7138382277563036
Energy: 1.6939639006749099
Energy: 1.7380759708326583
Energy: 1.8038823247807925
Energy: 1.807214457774715
Energy: 1.8487994433458308
Energy: 1.8835542938538148
Energy: 1.8311125964853152
Energy: 1.7286701642565718
Energy: 1.8158840364654474
Energy: 1.779485562067454
Energy: 1.7077171891647742
Energy: 1.6762280737360071
Energy: 1.7762224931693125
Energy: 1.7917805765735748
Energy: 1.8868903894518858
Energy: 1.759768513031238
Energy: 1.9079106486001125
Energy: 2.034475428998931
Energy: 1.9116729428335382
Energy: 1.7983336341285907
Energy: 1.810997293008862
Energy: 1.9589498493022426
Energy: 1.5986450275706148
Energy: 1.7212908651809113
Energy: 1.7411161023202026
Energy: 1.8969283383596094
Energy: 1.8529270753260942
Energy: 1.605206305878403
Energy: 1.964200135962022
Energy: 1.730290687404633
Energy: 1.8276434119179938
Energy: 1.995169375685401
Energy: 1.8938600152472929
Energy: 1.8534033948817457
Energy: 1.605876008997174
Energy: 1.8635259792627907
Energy: 1.924454434644922
Energy: 2.0137010032593485
Energy: 1.92783633848995
Energy: 1.7636248114736641
Energy: 1.7978245097978744
Energy: 1.6500402305380262
Energy: 1.9548480212318522
Energy: 1.8265249269130543
Energy: 1.637264105108465
Energy: 1.700321409421397
Energy: 1.635759247117513
Energy: 1.6114179930456018
Energy: 1.6696524951328777
Energy: 1.6966912896585264
Energy: 1.680432419244621
Energy: 1.7924994381777692
Energy: 1.863785670296885
Energy: 1.8942964809281686
Energy: 1.8771384141436187
Energy: 1.7490891017420176
Energy: 1.8062291749607111
Energy: 1.9841650382299758
Energy: 1.7961299045676136
Energy: 1.9407782012382528
Energy: 1.8263677395087892
Energy: 1.7977003865978298
Energy: 1.7958015545890533
Energy: 1.544554506097919
Energy: 1.8975236313529245
Energy: 1.766231099545149
Energy: 1.749199779390571
Energy: 1.63970083080233
Energy: 1.7024976822960511
Energy: 1.791838042415915
Energy: 1.674771179495547
Energy: 1.780214332588598
Energy: 1.8349314648203587
Energy: 1.6617556510608338
Energy: 1.7032689113068002
Energy: 1.7648332198389067
Energy: 1.8070658887196973
Energy: 1.7193691964830202
Energy: 1.5433999131120872
Energy: 1.7207604102279612
Energy: 1.7254805078894722
Energy: 1.7901219698770285
Energy: 1.7616645720870514
Energy: 1.6985737068907933
Energy: 1.7623635105565518
Energy: 1.5653083966091574
Energy: 1.6448476537057068
Energy: 1.6195581553865097
Energy: 1.7199944100182487
Energy: 1.6198805684721265
Energy: 1.6729095423337441
Energy: 1.5249871000307174
Energy: 1.6520443248375174
Energy: 1.69321520969217
Energy: 1.6390250199444325
Energy: 1.7527944554127126
Energy: 1.770428730090264
Energy: 1.7487307301283286
Energy: 1.578731084988729
Energy: 1.6750788543335648
Energy: 1.7206461375306412
Energy: 1.5648444152661924
Energy: 1.5754043592487292
Energy: 1.7577174491863796
Energy: 1.5414207210779565
Energy: 1.6771154914858863
Energy: 1.5753218216114133
Energy: 1.598632215148103
Energy: 1.6767357283400912
Energy: 1.5604758737996145
Energy: 1.7122510073327533
Energy: 1.6574441072619726
Energy: 1.5025477874310769
Energy: 1.554077466705135
Energy: 1.7690229507530524
Energy: 1.6165974399582856
Energy: 1.8239072694664513
Energy: 1.8455430292004078
Energy: 1.6549037176795804
Energy: 1.6867785630344057
Energy: 1.5411211935186035
Energy: 1.6449900146377465
Energy: 1.534664363820572
Energy: 1.6469237164499486
Energy: 1.6703943284850808
Energy: 1.5846850590433879
Energy: 1.7709570078881889
Energy: 1.5607537260188744
Energy: 1.7092067355297966
Energy: 1.6476964499150513
Energy: 1.6363484571433298
Energy: 1.7319236040682373
Energy: 1.6819071428551762
Energy: 1.595285184179723
Energy: 1.7166879767438967
Energy: 1.8182417688583867
Energy: 1.5530880651779135
Energy: 1.5651386674362169
Energy: 1.7077168335688049
Energy: 1.639800223182257
Energy: 1.5030510617796644
Energy: 1.608072852117025
Energy: 1.7041435692646154
Energy: 1.6734381336216517
Energy: 1.684411581332547
Energy: 1.674097878840505
Energy: 1.8106928781558709
Energy: 1.7136583900758489
Energy: 1.6677896480813652
Energy: 1.7171442070123764
Energy: 1.797804569887544
Energy: 1.7984719684427568
Energy: 1.7807362018561312
Energy: 1.6841713558046574
Energy: 1.6959029524515201
Energy: 1.6697024668264118
Energy: 1.8059027376242114
Energy: 1.8073631098870546
Energy: 1.8297308422054088
Energy: 1.8898023541864024
Energy: 1.8274869588264337
Energy: 1.9090949592672648
Energy: 1.8159551216978203
Energy: 1.6792599996530544
Energy: 1.7938477664141397
Energy: 1.7004863448413938
Energy: 1.7647640192768403
Energy: 1.7473789426583648
Energy: 1.8856783490924915
Energy: 2.036676912422163
Energy: 1.9057693134925622
Energy: 1.672203710396308
Energy: 1.9056988647866637
Energy: 1.7976887065943015
Energy: 1.783870121046419
Energy: 1.9634995657088083
Energy: 1.6373356655687659
Energy: 1.7235674169835424
Energy: 1.9464722056664279
Energy: 1.897608196507666
Energy: 1.853109877440211
Energy: 1.606791934763594
Energy: 1.962776968495543
Energy: 1.7316656039979446
Energy: 1.8252005663283455
Energy: 1.9162514076088175
Energy: 1.8951019325125167
Energy: 1.8530343614922673
Energy: 1.7505587528568467
Energy: 1.8624433078660827
Energy: 1.7474431787692528
Energy: 2.015676406110145
Energy: 1.9295050520686425
Energy: 1.7658600537897657
Energy: 1.7982947178828608
Energy: 1.7354611233910118

minimum gb energy = 1.5022126701351746 eV
minimum distance =  2.19906283352 Angstroms
sigma value = 365


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

Energy: 1.719769631449895
Energy: 2.064979968956653
Energy: 1.4889818078418449
Energy: 1.6386578193992676
Energy: 1.6277590449477208
Energy: 1.4896054870452302
Energy: 1.6282016297146509
Energy: 1.6348143170102036
Energy: 1.7871841074938128
Energy: 1.4866493033238777
Energy: 1.4895481490637437
Energy: 1.4893415515465767
Energy: 1.4884609136420286
Energy: 1.7863016105597525
Energy: 1.631407524717896
Energy: 1.9673422880179756
Energy: 1.4878241166914885
Energy: 1.487338398754169
Energy: 1.4887458239002302
Energy: 1.487522435796577
Energy: 1.626603610580386
Energy: 1.632858193408627
Energy: 1.9668341793446413
Energy: 1.4868475325642634
Energy: 1.4883568243382783
Energy: 1.487208601328074
Energy: 1.4879629026635228
Energy: 1.6335710726986243
Energy: 1.6951283333564457
Energy: 1.7875406610860158
Energy: 1.4948591942879124
Energy: 1.7875283820227639
Energy: 1.4899531370486008
Energy: 1.499047740737589
Energy: 1.7883299801258428
Energy: 1.6333748754997257
Energy: 1.9668651641028208
Energy: 1.487879875059304
Energy: 1.6274797816135684
Energy: 1.4884245696075997
Energy: 1.4869249433229892
Energy: 1.6293082284925586
Energy: 1.6321711921979067
Energy: 1.7875772626733775
Energy: 1.486709556934371
Energy: 1.4893590206798863
Energy: 1.4886013489289085
Energy: 1.4882467325478683
Energy: 1.785783461708291
Energy: 1.6313604912080777
Energy: 1.9678241104247205
Energy: 1.4874830888662627
Energy: 1.4882930380019126
Energy: 1.4889128644363054
Energy: 1.4875550467124912
Energy: 1.7858910852029262
Energy: 1.6344532349904608
Energy: 1.967717357028726
Energy: 1.4869720316096415
Energy: 1.4885736639595788
Energy: 1.4873820101996778
Energy: 1.4879615706309934
Energy: 1.63030177895746
Energy: 1.6950664350311284
Energy: 1.787624106385067
Energy: 1.6039837286960468
Energy: 1.7863908211989354
Energy: 1.7847307296590968
Energy: 1.6038730907941217
Energy: 1.7861663090210809
Energy: 1.6333564455335896
Energy: 1.9663461636406454
Energy: 1.488159450258953
Energy: 1.4873782044693116
Energy: 1.4881447293008236
Energy: 1.4873816685490864
Energy: 1.631640172724635
Energy: 1.6311654912874671
Energy: 1.966780962021085
Energy: 1.4872570994422385
Energy: 1.4889177749375422
Energy: 1.4879291146544298
Energy: 1.4879372810238465
Energy: 1.7865988785790983
Energy: 1.6330067153639245
Energy: 1.7855531414722197
Energy: 1.4876886390306523
Energy: 1.4886913612333865
Energy: 1.4892568206868593
Energy: 1.487832039156751
Energy: 1.786535534001575
Energy: 1.6332781704268944
Energy: 2.1035758567729546
Energy: 1.4870182489086903
Energy: 1.6266081646984012
Energy: 1.4880793035748705
Energy: 1.4878625773402077
Energy: 1.6283305270039035
Energy: 1.4933352720236435
Energy: 1.7880852941270367
Energy: 1.4984741978027485
Energy: 1.4891193943019025
Energy: 1.4893599753746318
Energy: 1.48743529388678
Energy: 1.7873482281051252
Energy: 1.6324299111728233
Energy: 1.9671800519169702
Energy: 1.4873466023596413
Energy: 1.487426788098837
Energy: 1.4881969497930352
Energy: 1.4874939779672771
Energy: 1.6348603919480345
Energy: 1.6321270039264344
Energy: 1.966566759066346
Energy: 1.4873449644195311
Energy: 1.4883626068612943
Energy: 1.487625809667736
Energy: 1.4883306273066872
Energy: 1.626336754294415
Energy: 1.4952594033946134
Energy: 1.7865895105261898
Energy: 1.4893819142060623
Energy: 1.489279684737713
Energy: 1.489279584178431
Energy: 1.488316004252565
Energy: 1.787759359322233
Energy: 1.631359054131095
Energy: 2.105014211752077
Energy: 1.4875756788439378
Energy: 1.6388222725736832
Energy: 1.6260328300152964
Energy: 1.4875276482062416
Energy: 1.6286248005946
Energy: 1.633745183274815
Energy: 1.78721475616647
Energy: 1.4871487008757283
Energy: 1.4893956188542763
Energy: 1.4889083575152982
Energy: 1.4880560474939577
Energy: 1.7858826684046067

minimum gb energy = 1.4866493033238777 eV
minimum distance =  2.32333814987778 Angstroms
sigma value = 23