Model name: model_name=MEAM_LAMMPS_AgrawalMirzaeifar_2021_CuC__MO_028979335952_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6150126680731782
cohesive_energy=3.5402784095890816
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.016771527547116822
Energy: 0.612084607076745
Energy: 1.349134810745902
Energy: 0.6121213859252482
Energy: 0.01677152754734443
Energy: 0.612084607076745
Energy: 0.45594919260177696
Energy: 0.8535665152575374
Energy: 0.017222656046219465
Energy: 0.21659835090284998
Energy: 0.017022023957377307
Energy: 0.8535665152572811
Energy: 0.017222656046703134
Energy: 0.21659835090185423
Energy: 0.016771527547116822
Energy: 0.612084607076745
Energy: 1.349134797493068
Energy: 0.6121213859249922
Energy: 0.01677152754760049
Energy: 0.6120846070772286
Energy: 0.45594919260177696
Energy: 0.8535665152575374
Energy: 0.017222656046219465
Energy: 0.21659835090259394
Energy: 0.017022023957121248
Energy: 0.8535665152572811
Energy: 0.017222656046447075
Energy: 0.21659835090159818
Energy: 0.016771527547116822
Energy: 0.6120846070764889
Energy: 1.3491347835444953
Energy: 0.6121213859249922
Energy: 0.01677152754760049
Energy: 0.612084607077001
Energy: 0.45594919260177696
Energy: 0.8535665152575374
Energy: 0.017222656046447075
Energy: 0.21659835090259394
Energy: 0.017022023957377307
Energy: 0.8535665152572811
Energy: 0.017222656046447075
Energy: 0.21659835090185423

minimum gb energy = 0.016771527547116822 eV
minimum distance =  2.53362991183557 Angstroms
sigma value = 5


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

Energy: 1.4588789201332522
Energy: 1.5054216750322966
Energy: 1.3753264745360914
Energy: 1.5051358752303352
Energy: 1.4588789201332522
Energy: 1.5054216750384144
Energy: 1.3753264745360914
Energy: 1.3978994256839932
Energy: 1.4005901465247679
Energy: 1.4889060571198531
Energy: 1.4137520510815722
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Energy: 1.4005901465217092
Energy: 1.4889060571259707
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Energy: 1.5546515549670268
Energy: 1.400424620047671
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Energy: 1.4202626834961705
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Energy: 1.399592900604975
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Energy: 1.4643946688081846
Energy: 1.4012871207596544
Energy: 1.4543259355290794
Energy: 1.3907613171879598
Energy: 1.4643946688143024
Energy: 1.5823934179303343
Energy: 1.389899918266843
Energy: 1.4241003736771651
Energy: 1.4324343176914036
Energy: 1.582393417936452
Energy: 1.3898999182637841
Energy: 1.4241003736771651
Energy: 1.4623316165833198
Energy: 1.4046530430763717
Energy: 1.3598647487054916
Energy: 1.445149225035502
Energy: 1.4623316165802611
Energy: 1.4046530430763717
Energy: 1.3598647487054916
Energy: 1.390107833815082
Energy: 1.4080023512268003
Energy: 1.5640035119980902
Energy: 1.404579527617154
Energy: 1.390107833815082
Energy: 1.4080023512237416
Energy: 1.5640035119950313
Energy: 1.4469029202076236
Energy: 1.4354724929906135
Energy: 1.420279943517883
Energy: 1.4265571829117036
Energy: 1.4469029202106822
Energy: 1.4354724929875549
Energy: 1.420279943517883
Energy: 1.3760486459725272
Energy: 1.420373602952266
Energy: 1.5209472872888259
Energy: 1.4161089018234807
Energy: 1.3760486459755858
Energy: 1.420373602952266
Energy: 1.5209472872918846

minimum gb energy = 1.3598647487054916 eV
minimum distance =  2.19803977259512 Angstroms
sigma value = 401


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

Energy: 1.6332543893784106
Energy: 1.491046951201807
Energy: 1.3992333154139418
Energy: 1.4595728917724624
Energy: 1.6332543893753173
Energy: 1.4910469512021225
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Energy: 1.4326864727943027
Energy: 1.4189435412253584
Energy: 1.4197184720426832
Energy: 1.4375025926718155
Energy: 1.500891622424148
Energy: 1.4339163335398746
Energy: 1.4197184720437563
Energy: 1.4375025926711211
Energy: 1.5008916224216862
Energy: 1.4305792976883147
Energy: 1.4580355709700799
Energy: 1.4330679778834499
Energy: 1.434078192792814
Energy: 1.4305792976876202
Energy: 1.4580355709697643
Energy: 1.433067977884839
Energy: 1.438982473411965
Energy: 1.4739628578091424
Energy: 1.334092019482513
Energy: 1.433665207356851
Energy: 1.4389824734144268
Energy: 1.4739628578112254
Energy: 1.3340920194859849
Energy: 1.4505213858147532
Energy: 1.4543862873764801
Energy: 1.4531620178221578
Energy: 1.435322983919406
Energy: 1.4505213858123545
Energy: 1.4543862873750915
Energy: 1.4531620178232312
Energy: 1.4657959223400772
Energy: 1.4057494345816246
Energy: 1.4675590664193092
Energy: 1.47639015654893
Energy: 1.4657959223400772
Energy: 1.4057494345820034
Energy: 1.4675590664179206
Energy: 1.5787143328229665
Energy: 1.4910469512049003
Energy: 1.3992333154125531
Energy: 1.4595728917710735
Energy: 1.5787143328191784
Energy: 1.491046951202817
Energy: 1.3992333154135632
Energy: 1.4524509969207744
Energy: 1.4324302555966364
Energy: 1.508130418548171
Energy: 1.4672754562410315
Energy: 1.4524509969179968
Energy: 1.4324302555956263
Energy: 1.5081304185457722

minimum gb energy = 1.334092019482513 eV
minimum distance =  2.26393623109147 Angstroms
sigma value = 311


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

Energy: 1.5661704737204796
Energy: 1.4681295126765341
Energy: 1.5369456270585415
Energy: 1.4505627782836121
Energy: 1.5661704737208804
Energy: 1.4681295126753313
Energy: 1.5784473590001997
Energy: 1.529117721023208
Energy: 1.4640653614953525
Energy: 1.5598586938265393
Energy: 1.4883548751269915
Energy: 1.5291177210228069
Energy: 1.4640653614957535
Energy: 1.5598586938269405
Energy: 1.513007488861619
Energy: 1.46008202687112
Energy: 1.5327842053293286
Energy: 1.4117040478778105
Energy: 1.5130074888624208
Energy: 1.460082026870318
Energy: 1.5126575821237145
Energy: 1.5338064682112564
Energy: 1.448470531903114
Energy: 1.5839987925255374
Energy: 1.4453729334290049
Energy: 1.5338064682104549
Energy: 1.448470531903114
Energy: 1.5839987925259382
Energy: 1.4989906788573502
Energy: 1.4774744892568064
Energy: 1.6556551040878502
Energy: 1.4840341241429695
Energy: 1.4989906788569494
Energy: 1.4774744892560043
Energy: 1.5190365746308345
Energy: 1.5090983892962135
Energy: 1.454272939732044
Energy: 1.5807398693013646
Energy: 1.4451796714180045
Energy: 1.5090983892958127
Energy: 1.4542729397316432
Energy: 1.5807398693013646
Energy: 1.5124756987131585
Energy: 1.5125867294316437
Energy: 1.4873413216083726
Energy: 1.4457742250511123
Energy: 1.5124756987135592
Energy: 1.5125867294320448
Energy: 1.5639968940452
Energy: 1.4504640046993196
Energy: 1.49136070328851
Energy: 1.526530065853067
Energy: 1.4545764012137352
Energy: 1.4504640046993196
Energy: 1.4913607032877083
Energy: 1.5265300658538687
Energy: 1.5286702768017353
Energy: 1.4802196136399026
Energy: 1.5002883310517672
Energy: 1.462398947118165
Energy: 1.5286702768013347
Energy: 1.4802196136399026
Energy: 1.50028833105297
Energy: 1.4748416367917259
Energy: 1.4612064060271182
Energy: 1.6077638001535446
Energy: 1.4583439949939934
Energy: 1.4748416367925277
Energy: 1.4612064060271182
Energy: 1.6077638001519408
Energy: 1.5660549738392
Energy: 1.5058436183939456
Energy: 1.5779391137570704
Energy: 1.4324357646915675
Energy: 1.566054973839601
Energy: 1.5058436183943469
Energy: 1.5779391137562686
Energy: 1.4693256850303211
Energy: 1.537867211926692
Energy: 1.4916041629274248
Energy: 1.5136556852940561
Energy: 1.469325685030722
Energy: 1.53786721192589
Energy: 1.4916041629278254
Energy: 1.5254584997257368
Energy: 1.4454967920415178
Energy: 1.5108832490845854
Energy: 1.4779985961025044
Energy: 1.5254584997249352
Energy: 1.445496792040716
Energy: 1.5108832490826172
Energy: 1.4982193593679636
Energy: 1.4289566446321513
Energy: 1.5377260412409923
Energy: 1.4763822754083455
Energy: 1.4982193593691664
Energy: 1.4289566446305475
Energy: 1.5377260412405918
Energy: 1.550203285294069
Energy: 1.4476318897043219
Energy: 1.5715765627276561
Energy: 1.4502915515417023
Energy: 1.5502032852948708
Energy: 1.4476318897063265
Energy: 1.5715765627264533
Energy: 1.4246492412006524
Energy: 1.5136298039893958
Energy: 1.4807393400772957
Energy: 1.5419123325883544
Energy: 1.4246492412010532
Energy: 1.5136298039901976
Energy: 1.480739340076494
Energy: 1.5665925182713225
Energy: 1.4530013552122079
Energy: 1.5792190087369327
Energy: 1.478303572760003
Energy: 1.5665925182713225
Energy: 1.453001355210604
Energy: 1.579219008737334
Energy: 1.4955002804321744
Energy: 1.4669686197739278
Energy: 1.6565882579774853
Energy: 1.4747114518895437
Energy: 1.4955002804317734
Energy: 1.4669686197747294
Energy: 1.6565882579782873
Energy: 1.535434961983891
Energy: 1.4818238647958804
Energy: 1.499580550540963
Energy: 1.472471932984591
Energy: 1.53543496198349
Energy: 1.4818238647946778
Energy: 1.4995805505413642
Energy: 1.4481322097211078
Energy: 1.4679939095792554
Energy: 1.5464425581283618
Energy: 1.4886680181804122
Energy: 1.448132209721509
Energy: 1.467993909580859
Energy: 1.5464425581279608
Energy: 1.5088728041297848
Energy: 1.4680179166028784
Energy: 1.54438520439077
Energy: 1.4947663495468029
Energy: 1.5088728041305868
Energy: 1.468017916604482
Energy: 1.558874327258846
Energy: 1.5126995202644318
Energy: 1.4800774966060637
Energy: 1.5805214957969627
Energy: 1.4454030951336536
Energy: 1.51269952026363
Energy: 1.48007749660446
Energy: 1.5805214957969627
Energy: 1.4985513531451007
Energy: 1.410627786431667
Energy: 1.408664400952148
Energy: 1.4748297297633595
Energy: 1.4985513531459025
Energy: 1.4106277864320678
Energy: 1.4551877286676687
Energy: 1.5139659521399658
Energy: 1.4475067711330925
Energy: 1.5649473637842273
Energy: 1.4696202440742963
Energy: 1.5139659521407673
Energy: 1.4475067711330925
Energy: 1.5649473637846283
Energy: 1.5546112152374554
Energy: 1.4776555512921152
Energy: 1.458802935939114
Energy: 1.4511791519877324
Energy: 1.5546112152370544
Energy: 1.4776555512909124
Energy: 1.4588029359395147
Energy: 1.5347504983352798
Energy: 1.4656335732579762
Energy: 1.4913126611663212
Energy: 1.4463974458309734
Energy: 1.534750498334879
Energy: 1.4656335732575754
Energy: 1.4913126611655194
Energy: 1.5790337883501095
Energy: 1.4680060162533763
Energy: 1.4424956754280034
Energy: 1.4518728559244036
Energy: 1.5790337883497085
Energy: 1.4680060162537774
Energy: 1.4420753357168359
Energy: 1.5200203579409528
Energy: 1.4781086838350619
Energy: 1.5119851731659573
Energy: 1.4862714412799478
Energy: 1.5200203579417544
Energy: 1.4781086838346609
Energy: 1.5119851731663585
Energy: 1.5264373863600582
Energy: 1.4672763490600809
Energy: 1.529790434563055
Energy: 1.4768811779790156
Energy: 1.526437386359657
Energy: 1.4672763490604819
Energy: 1.5297904345626543
Energy: 1.5165174667986823
Energy: 1.4580847504968366
Energy: 1.519137081786472
Energy: 1.4524685096349956
Energy: 1.5165174667978802
Energy: 1.4580847504968366
Energy: 1.519137081786472
Energy: 1.4986973018158514
Energy: 1.4709817958046933
Energy: 1.543123301107758
Energy: 1.467849689859292
Energy: 1.4986973018174548
Energy: 1.4709817958042921
Energy: 1.5431233011085594
Energy: 1.475165306371155
Energy: 1.4131425574577272
Energy: 1.4759446403840593
Energy: 1.4488000594455057
Energy: 1.4751653063707542
Energy: 1.4131425574573264
Energy: 1.475944640385262
Energy: 1.5371880114928123
Energy: 1.5352256736390293
Energy: 1.4829129204109057
Energy: 1.4679777370901816
Energy: 1.5371880114920102
Energy: 1.5352256736394305
Energy: 1.4829129204113065
Energy: 1.44312068811573
Energy: 1.4450287399809771
Energy: 1.5537605760816529
Energy: 1.4666813847251354
Energy: 1.4431206881141263
Energy: 1.445028739981378
Energy: 1.5537605760820539
Energy: 1.511689620275808
Energy: 1.4802477307643882
Energy: 1.4927646774880956
Energy: 1.4831438203925367
Energy: 1.511689620275808
Energy: 1.4802477307631854
Energy: 1.4927646774884964
Energy: 1.4891836076664877
Energy: 1.4610179425562473
Energy: 1.5970469261693585
Energy: 1.4383606287389408
Energy: 1.4891836076660867
Energy: 1.4610179425562473
Energy: 1.5970469261693585

minimum gb energy = 1.408664400952148 eV
minimum distance =  2.2551565643838 Angstroms
sigma value = 39


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

Energy: 1.4774980406980005
Energy: 1.523195843360605
Energy: 1.4633014994906781
Energy: 1.5233385651856173
Energy: 1.4774980406965808
Energy: 1.5231958433582393
Energy: 1.5151810053282808
Energy: 1.4419853348771055
Energy: 1.4580337230556073
Energy: 1.2992896729854706
Energy: 1.460025782643353
Energy: 1.4419853348775789
Energy: 1.4580337230560805
Energy: 1.299289672986417
Energy: 1.4772613708831894
Energy: 1.3722863205639715
Energy: 1.451596030860591
Energy: 1.490578676656851
Energy: 1.47726137088177
Energy: 1.372286320561606
Energy: 1.4515960308657958
Energy: 1.4814144180421005
Energy: 1.4578095711612016
Energy: 1.3000831999561817
Energy: 1.4856870853462074
Energy: 1.4814144180411541
Energy: 1.4578095711607282
Energy: 1.3000831999557085
Energy: 1.490591866655014
Energy: 1.4338533348342057
Energy: 1.528059999126584
Energy: 1.490737627094991
Energy: 1.490591866655487
Energy: 1.4338533348370446
Energy: 1.5280599991242183
Energy: 1.4815054876217775
Energy: 1.4101568576276018
Energy: 1.4461679999417034
Energy: 1.485043873692096
Energy: 1.4815054876217775
Energy: 1.4101568576252792
Energy: 1.4461679999426498
Energy: 1.5324925004538756
Energy: 1.4341825713567653
Energy: 1.4382030820265854
Energy: 1.4906317425991746
Energy: 1.5324925004529293
Energy: 1.434182571352034
Energy: 1.4525744580158544
Energy: 1.4816190397507158
Energy: 1.356095321185601
Energy: 1.6840173768627518
Energy: 1.356158142907958
Energy: 1.4816190397507158
Energy: 1.3560953211874935
Energy: 1.6840173768622786
Energy: 1.5327895006633234
Energy: 1.4905279188915532
Energy: 1.5297833265698844
Energy: 1.4340411663698884
Energy: 1.5327895006637968
Energy: 1.4905279188877678
Energy: 1.5297833265713034
Energy: 1.4814354413123265
Energy: 1.4854702625328597
Energy: 1.4460098858454569
Energy: 1.4103449229442035
Energy: 1.4814354413099606
Energy: 1.4854702625314402
Energy: 1.4460098858440371
Energy: 1.4909655654635525
Energy: 1.4908540684203913
Energy: 1.45373454484101
Energy: 1.4338111096355861
Energy: 1.49096556546166
Energy: 1.4908540684237035
Energy: 1.4574234428854955
Energy: 1.4815463999757863
Energy: 1.4856286378533932
Energy: 1.2997209465478652
Energy: 1.4579662917985527
Energy: 1.4815463999738938
Energy: 1.4856286378524468
Energy: 1.2997209465502308
Energy: 1.4773105824371797
Energy: 1.4906713820351303
Energy: 1.3804878755698222
Energy: 1.3720996841763842
Energy: 1.4773105824371797
Energy: 1.4906713820356035
Energy: 1.3804878755693493
Energy: 1.4417989496533647
Energy: 1.4600718184567723
Energy: 1.2991819584314572
Energy: 1.4586667518214083
Energy: 1.4417989496528913
Energy: 1.4600718184596109
Energy: 1.2991819584309843
Energy: 1.477498040697527
Energy: 1.523195843360605
Energy: 1.5027640502259239
Energy: 1.5233385651860905
Energy: 1.4774980406965808
Energy: 1.5231958433577664
Energy: 1.5046880766998616
Energy: 1.4419853348771055
Energy: 1.4580337230551341
Energy: 1.2992896729854706
Energy: 1.4600257826428797
Energy: 1.4419853348775789
Energy: 1.4580337230560805
Energy: 1.2992896729859436
Energy: 1.4772613708836624
Energy: 1.3722863205649178
Energy: 1.4515960308620106
Energy: 1.4905786766563776
Energy: 1.47726137088177
Energy: 1.372286320562079
Energy: 1.4515960308662692
Energy: 1.4814144180421005
Energy: 1.4578095711607282
Energy: 1.3000831999576012
Energy: 1.4856870853462074
Energy: 1.4814144180406807
Energy: 1.4578095711607282
Energy: 1.3000831999576012
Energy: 1.490591866655014
Energy: 1.433853334834679
Energy: 1.5280599991242183
Energy: 1.4907376270959374
Energy: 1.4905918666545406
Energy: 1.4338533348360982
Energy: 1.5280599991251647
Energy: 1.4815054876217775
Energy: 1.410156857628075
Energy: 1.446167999940757
Energy: 1.485043873692569
Energy: 1.4815054876217775
Energy: 1.4101568576257522
Energy: 1.4461679999417034
Energy: 1.5324925004538756
Energy: 1.4341825713553462
Energy: 1.4910695210310816
Energy: 1.4906317425996478
Energy: 1.532492500451983
Energy: 1.4341825713510876
Energy: 1.4910695210301352
Energy: 1.4816190397507158
Energy: 1.3560953211851277
Energy: 1.6840173768636981
Energy: 1.3561581429089045
Energy: 1.4816190397502425
Energy: 1.3560953211874935
Energy: 1.6840173768627518
Energy: 1.5327895006619041
Energy: 1.4905279188910798
Energy: 1.470389959797166
Energy: 1.4340411663698884
Energy: 1.5327895006633234
Energy: 1.4905279188872949
Energy: 1.4703899597981123
Energy: 1.4814354413118533
Energy: 1.485470262534279
Energy: 1.4460098858445105
Energy: 1.4103449229442035
Energy: 1.4814354413094872
Energy: 1.4854702625319136
Energy: 1.4460098858440371
Energy: 1.4909655654630793
Energy: 1.4908540684203913
Energy: 1.37977438120903
Energy: 1.4338111096351132
Energy: 1.4909655654611869
Energy: 1.49085406842323
Energy: 1.3797743812076109
Energy: 1.4815463999757863
Energy: 1.4856286378533932
Energy: 1.2997209465478652
Energy: 1.4579662917971332
Energy: 1.48154639997484
Energy: 1.4856286378524468
Energy: 1.2997209465507042
Energy: 1.4773105824367068
Energy: 1.4906713820356035
Energy: 1.3619465648356666
Energy: 1.3720996841763842
Energy: 1.4773105824367068
Energy: 1.4906713820360766
Energy: 1.361946564840871
Energy: 1.4417989496533647
Energy: 1.4600718184562989
Energy: 1.2991819584309843
Energy: 1.4586667518214083
Energy: 1.4417989496528913
Energy: 1.4600718184596109
Energy: 1.299181958430511
Energy: 1.477498040697527
Energy: 1.523195843360605
Energy: 1.4876927784634255
Energy: 1.523338565185144
Energy: 1.4774980406965808
Energy: 1.5231958433582393
Energy: 1.5282478768218153
Energy: 1.4419853348771055
Energy: 1.4580337230551341
Energy: 1.2992896729854706
Energy: 1.460025782643353
Energy: 1.4419853348775789
Energy: 1.4580337230565537
Energy: 1.2992896729873633

minimum gb energy = 1.299181958430511 eV
minimum distance =  2.26468338900508 Angstroms
sigma value = 21


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

Energy: 1.5921044595448839
Energy: 1.54412144381595
Energy: 1.3462757401851644
Energy: 1.56546132179574
Energy: 1.5921044595454583
Energy: 1.54412144381595
Energy: 1.3462757401863132
Energy: 1.5251921148186296
Energy: 1.3939522777156739
Energy: 1.493138344179001
Energy: 1.4878866435352418
Energy: 1.5251921148180552
Energy: 1.3939522777162483
Energy: 1.4931383441801498
Energy: 1.480761136391504
Energy: 1.537693159002609
Energy: 1.331379821962588
Energy: 1.4438776767612393
Energy: 1.4807611363920787
Energy: 1.5376931590014602
Energy: 1.331379821963136
Energy: 1.5025930143964985
Energy: 1.396641617359514
Energy: 1.476778966654648
Energy: 1.4176718783092228
Energy: 1.5025930143970727
Energy: 1.3966416173589398
Energy: 1.476778966654648
Energy: 1.4787621456544051
Energy: 1.5177800902051786
Energy: 1.3669277739088743
Energy: 1.4705006396563163
Energy: 1.4787621456532563
Energy: 1.5177800902051786
Energy: 1.3669277739094485
Energy: 1.5023754459056615
Energy: 1.4655938331084544
Energy: 1.5697251089146151
Energy: 1.4154521499926633
Energy: 1.502375445905087
Energy: 1.4655938331084544
Energy: 1.5697251089157636
Energy: 1.5006322956799723
Energy: 1.5015920071335394
Energy: 1.4681987768394258
Energy: 1.4412485530089403
Energy: 1.500632295681121
Energy: 1.5015920071341138
Energy: 1.4681987768400004
Energy: 1.523737395737355
Energy: 1.4814503972263888
Energy: 1.6224791710550137
Energy: 1.437286516001217
Energy: 1.5237373957379292
Energy: 1.481450397224666
Energy: 1.6224791710538649
Energy: 1.5008749626455404
Energy: 1.4233438224111468
Energy: 1.6171710042513165
Energy: 1.4330388189463847
Energy: 1.5008749626466893
Energy: 1.4233438224105723
Energy: 1.6171710042524654
Energy: 1.555164216789869
Energy: 1.4549609870576559
Energy: 1.4699407782002283
Energy: 1.3472496608569464
Energy: 1.5551642167887203
Energy: 1.4549609870588047
Energy: 1.4699407782002283
Energy: 1.4981623478700445
Energy: 1.4440795762233898
Energy: 1.5632533580680028
Energy: 1.4021284620093208
Energy: 1.4981623478706192
Energy: 1.444079576222241
Energy: 1.5632533580674284
Energy: 1.4330844261470055
Energy: 1.4557984464249125
Energy: 1.4858761353441419
Energy: 1.4191924915849836
Energy: 1.4330844261470055
Energy: 1.4557984464249125
Energy: 1.4858761353435674
Energy: 1.4400447306011501
Energy: 1.4098026147448297
Energy: 1.4336302533152316
Energy: 1.395060720254423
Energy: 1.4400447306017246
Energy: 1.4098026147454044
Energy: 1.5111685167933189
Energy: 1.3908260007150688
Energy: 1.4954024590703028
Energy: 1.5257083794650115
Energy: 1.4618544358924392
Energy: 1.3908260007150688
Energy: 1.4954024590697284
Energy: 1.5257083794638628
Energy: 1.498813054827154
Energy: 1.4617626265974977
Energy: 1.5490880083653467
Energy: 1.5435447069899064
Energy: 1.498813054828303
Energy: 1.4617626265974977
Energy: 1.5490880083653467
Energy: 1.4063433755814345
Energy: 1.5329259671774818
Energy: 1.484816798781343
Energy: 1.4991368785569612
Energy: 1.4063433755808599
Energy: 1.5329259671774818
Energy: 1.4848167987830665
Energy: 1.4994754400022008
Energy: 1.461881807739055
Energy: 1.5646941506101815
Energy: 1.517314930545371
Energy: 1.499475440001052
Energy: 1.461881807739055
Energy: 1.56469415061133
Energy: 1.3874111604652741
Energy: 1.4742913244672806
Energy: 1.452278693443111
Energy: 1.4993992441086093
Energy: 1.3874111604646997
Energy: 1.474291324467855
Energy: 1.4522786934425365
Energy: 1.5033140506092477
Energy: 1.4576313747584668
Energy: 1.5471187939321227
Energy: 1.4462516719573653
Energy: 1.503314050609822
Energy: 1.457631374759041
Energy: 1.5471187939315485
Energy: 1.3873453295567213
Energy: 1.4411358357686548
Energy: 1.4452171601898045
Energy: 1.4916571642036638
Energy: 1.387345329556147
Energy: 1.4411358357692292
Energy: 1.4452171601881074
Energy: 1.5004008536752356
Energy: 1.4102081014666112
Energy: 1.5526744880954622
Energy: 1.461891322134567
Energy: 1.5004008536740867
Energy: 1.4102081014666112
Energy: 1.5526744880943133
Energy: 1.3872634414725529
Energy: 1.4964514328196767
Energy: 1.4597068869910037
Energy: 1.447012015581874
Energy: 1.3872634414719782
Energy: 1.4964514328202512
Energy: 1.4597068869904295
Energy: 1.494751990724317
Energy: 1.3947621172285085
Energy: 1.5944409382184994
Energy: 1.5223707872433312
Energy: 1.4947519907231683
Energy: 1.3947621172279345
Energy: 1.5944409382179248
Energy: 1.3872195071541573
Energy: 1.4958276167896545
Energy: 1.5027134146128627
Energy: 1.5330030546003466
Energy: 1.3872195071541573
Energy: 1.4958276167908033
Energy: 1.5027134146128627
Energy: 1.4937040538307556
Energy: 1.3948100496274187
Energy: 1.447134182135535
Energy: 1.492673805606957
Energy: 1.4937040538307556
Energy: 1.3948100496274187
Energy: 1.447134182135535

minimum gb energy = 1.331379821962588 eV
minimum distance =  2.23144032224067 Angstroms
sigma value = 113


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

Energy: 1.474251057174972
Energy: 1.4887479447349212
Energy: 1.4359193721329155
Energy: 1.488496208994669
Energy: 1.4742510571781777
Energy: 1.48874794472851
Energy: 1.4359193721361212
Energy: 1.4910749531095369
Energy: 1.4514799599325099
Energy: 1.5495238112053
Energy: 1.4514112286175094
Energy: 1.4910749531126846
Energy: 1.4514799599357155
Energy: 1.549523811208506
Energy: 1.4759839093867844
Energy: 1.4463912765441849
Energy: 1.5176741203481168
Energy: 1.4342874150163893
Energy: 1.4759839093867844
Energy: 1.4463912765441849
Energy: 1.5176741203449111
Energy: 1.3237193000390892
Energy: 1.4516182638345534
Energy: 1.584629971034854
Energy: 1.416177184622217
Energy: 1.3237193000358836
Energy: 1.451618263831348
Energy: 1.5846299710284426
Energy: 1.5133289898755502
Energy: 1.3133767066155664
Energy: 1.3651896213235675
Energy: 1.316072349605134
Energy: 1.5133289898851672
Energy: 1.3133767066219777
Energy: 1.3651896213267731
Energy: 1.3250774298622616
Energy: 1.3749608320066407
Energy: 1.6171867108635982
Energy: 1.3291989012511345
Energy: 1.3250774298622616
Energy: 1.3749608320066407
Energy: 1.6171867108635982
Energy: 1.4131446850118994
Energy: 1.3132101250218449
Energy: 1.4357765282297568
Energy: 1.2938954204664628
Energy: 1.4131446850118994
Energy: 1.3132101250218449
Energy: 1.4357765282233457
Energy: 1.3357656683013028
Energy: 1.3785780507916234
Energy: 1.5759568534216606
Energy: 1.3185475921196603
Energy: 1.3357656682949501
Energy: 1.378578050788418
Energy: 1.5759568534184552
Energy: 1.3992738910491627
Energy: 1.3571598061861814
Energy: 1.4050711719459035
Energy: 1.3237416410927128
Energy: 1.3992738910491627
Energy: 1.3571598061861814
Energy: 1.4986691235468246
Energy: 1.3248104042001747
Energy: 1.3786505955696047
Energy: 1.4901455274255697
Energy: 1.3033713578017903
Energy: 1.324810404196969
Energy: 1.3786505955728101
Energy: 1.4901455274287752
Energy: 1.4009556024496812
Energy: 1.4087177632768342
Energy: 1.4558662013993784
Energy: 1.3238335728826898
Energy: 1.4009556024464758
Energy: 1.4087177632736285
Energy: 1.4558662013993784
Energy: 1.3249497039325782
Energy: 1.351877419639862
Energy: 1.731839423652215
Energy: 1.3245490551440613
Energy: 1.3249497039293723
Energy: 1.3518774196430676
Energy: 1.7318394236554204
Energy: 1.465064954395071
Energy: 1.3773776918128842
Energy: 1.4041183793797427
Energy: 1.350241060659298
Energy: 1.4650649544014822
Energy: 1.3773776918064728
Energy: 1.4041183793797427
Energy: 1.464169039633218
Energy: 1.3417610128507818
Energy: 1.7313979279907006
Energy: 1.3833647721070492
Energy: 1.4641690396300124
Energy: 1.3417610128507818
Energy: 1.731397927984289
Energy: 1.465231383503587
Energy: 1.3642005045137842
Energy: 1.6227115619447339
Energy: 1.3189671393562654
Energy: 1.4652313835003814
Energy: 1.3642005045169898
Energy: 1.6227115619383226
Energy: 1.463006648801936
Energy: 1.3515384138169677
Energy: 1.6088048096674774
Energy: 1.3246210057428
Energy: 1.4630066488051414
Energy: 1.3515384138169677
Energy: 1.6088048096642718
Energy: 1.4464121041381122
Energy: 1.3777931750766779
Energy: 1.6226792228033697
Energy: 1.3502298621273074
Energy: 1.4464121041349067
Energy: 1.3777931750798835
Energy: 1.622679222800164
Energy: 1.317726528459709
Energy: 1.3648896411206821
Energy: 1.559915927280382
Energy: 1.309838387857641
Energy: 1.317726528459709
Energy: 1.3648896411238878
Energy: 1.5599159272771763
Energy: 1.4643543206120142
Energy: 1.4056223835293995
Energy: 1.508095282978113
Energy: 1.3681955351286168
Energy: 1.4643543206120142
Energy: 1.4056223835358108
Energy: 1.5080952829749072
Energy: 1.3496334540065675
Energy: 1.3587862934267505
Energy: 1.4016245191793464
Energy: 1.3115236409001354
Energy: 1.3496334540097734
Energy: 1.3587862934235446
Energy: 1.4016245191761407
Energy: 1.412961003908541
Energy: 1.3248253106010848
Energy: 1.5189099407009712
Energy: 1.4120814925671117
Energy: 1.4129610039053353
Energy: 1.3248253106042907
Energy: 1.5189099407009712
Energy: 1.3493905371235273
Energy: 1.3008261215803534
Energy: 1.4509592152253143
Energy: 1.3103566449941186
Energy: 1.3493905371171744
Energy: 1.3008261215739423
Energy: 1.4509592152221087
Energy: 1.4130972622133757
Energy: 1.3224409845798732
Energy: 1.468761313892489
Energy: 1.4472117038382215
Energy: 1.41309726221017
Energy: 1.3224409845798732
Energy: 1.468761313892489
Energy: 1.3826781092201978
Energy: 1.3359027773627192
Energy: 1.4217906562314333
Energy: 1.3107565424784107
Energy: 1.3826781092137868
Energy: 1.3359027773627192
Energy: 1.4217906562282276
Energy: 1.4192105309805576
Energy: 1.4161275804576716
Energy: 1.4918645034825806
Energy: 1.523675590090595
Energy: 1.4192105309805576
Energy: 1.4161275804608775
Energy: 1.4868758164289946
Energy: 1.3846720203186507
Energy: 1.418264165693144
Energy: 1.5804227589970612
Energy: 1.343720964049882
Energy: 1.3846720203250622
Energy: 1.418264165693144
Energy: 1.580422759000267
Energy: 1.5795734469749463
Energy: 1.4116994673071706
Energy: 1.4952131407014913
Energy: 1.523893780765405
Energy: 1.5795734469781517
Energy: 1.4116994673103764
Energy: 1.4952131407014913
Energy: 1.3711391784034022
Energy: 1.5054767047851743
Energy: 1.5511100893304393
Energy: 1.424644717591735
Energy: 1.3711391784066078
Energy: 1.5054767047787627
Energy: 1.5511100893368506
Energy: 1.571022587987039
Energy: 1.4117692080832387
Energy: 1.5250667353794527
Energy: 1.523695327697746
Energy: 1.5710225879902446
Energy: 1.4117692080832387
Energy: 1.5250667353794527
Energy: 1.3663575425241579
Energy: 1.420275836012326
Energy: 1.5513519043749489
Energy: 1.384207301159178
Energy: 1.3663575425209522
Energy: 1.4202758360155319
Energy: 1.5513519043781545
Energy: 1.426287778435424
Energy: 1.4178700930487194
Energy: 1.5849826490299364
Energy: 1.526288851726538
Energy: 1.4262877784386294
Energy: 1.4178700930487194
Energy: 1.5849826490299364
Energy: 1.3672268321790824
Energy: 1.33995541620196
Energy: 1.4837260227671332
Energy: 1.3525126349104528
Energy: 1.3672268321790824
Energy: 1.33995541620196
Energy: 1.4837260227671332
Energy: 1.4260888710298318
Energy: 1.332940805546841
Energy: 1.5477576560185984
Energy: 1.4160833114103368
Energy: 1.4260888710298318
Energy: 1.3329408055500467
Energy: 1.547757656021804
Energy: 1.391085804068955
Energy: 1.3428284088282356
Energy: 1.420986217705465
Energy: 1.3292951918519063
Energy: 1.391085804062544
Energy: 1.342828408831441
Energy: 1.420986217705465
Energy: 1.3648451140908915
Energy: 1.3286853417815154
Energy: 1.396223911866697
Energy: 1.3971668582545325
Energy: 1.3648451140876856
Energy: 1.3286853417815154
Energy: 1.396223911866697
Energy: 1.3746688932329212
Energy: 1.3388564300674788
Energy: 1.463523945832516
Energy: 1.3392567603560006
Energy: 1.3746688932297155
Energy: 1.338856430064273
Energy: 1.4635239458357219
Energy: 1.3792433703855864
Energy: 1.3487618366332608
Energy: 1.4714510120971447
Energy: 1.4283126112981968
Energy: 1.3792433703791749
Energy: 1.3487618366332608
Energy: 1.4714510121003503
Energy: 1.3628853205019316
Energy: 1.339490556559235
Energy: 1.4631581979026946
Energy: 1.3392502837737819
Energy: 1.3628853204955202
Energy: 1.339490556559235
Energy: 1.4631581979026946
Energy: 1.3662459612228735
Energy: 1.4251066096672125
Energy: 1.6077034117456879
Energy: 1.4124161091455598
Energy: 1.3662459612324902
Energy: 1.425106609670418
Energy: 1.6077034117488935
Energy: 1.3484939946851855
Energy: 1.3649610229388272
Energy: 1.3875990725123817
Energy: 1.4065539061278265
Energy: 1.34849399468198
Energy: 1.3649610229420328
Energy: 1.3875990725123817
Energy: 1.433550746276165
Energy: 1.4087492538142876
Energy: 1.7190839369679902
Energy: 1.412558876026651
Energy: 1.433550746276165
Energy: 1.4087492538206987
Energy: 1.7190839369679902
Energy: 1.3662970974887525
Energy: 1.4040181571090409
Energy: 1.660503066506345
Energy: 1.4461643000064748
Energy: 1.3662970974919582
Energy: 1.4040181571090409
Energy: 1.660503066506345
Energy: 1.3381113709804708
Energy: 1.4086794044731188
Energy: 1.6001392805034238
Energy: 1.4131293082521117
Energy: 1.3381113709772652
Energy: 1.4086794044763242
Energy: 1.6001392804970125
Energy: 1.385561748281449
Energy: 1.4019448290648548
Energy: 1.6724004979739464
Energy: 1.4009247112931076
Energy: 1.3855617482846545
Energy: 1.4019448290680605
Energy: 1.672400497967535
Energy: 1.3285393694852514
Energy: 1.4089923949792418
Energy: 1.5658352758522722
Energy: 1.4000793837299093
Energy: 1.3285393694852514
Energy: 1.4089923949792418
Energy: 1.565835275855478

minimum gb energy = 1.2938954204664628 eV
minimum distance =  2.18207008974975 Angstroms
sigma value = 365


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

Energy: 1.2988985715451895
Energy: 1.0640916835888776
Energy: 1.1820676021105698
Energy: 1.0640916835874321
Energy: 1.2988985715459125
Energy: 1.0640916835867096
Energy: 1.4169801230033097
Energy: 1.2988985715459125
Energy: 1.0640916835867096
Energy: 1.4765887078813493
Energy: 1.0640916835888776
Energy: 1.2988985715466352
Energy: 1.0640916835874321
Energy: 1.4169801230004189
Energy: 1.2988985715451895
Energy: 1.0640916835881549
Energy: 1.4553549612357455
Energy: 1.0640916835874321
Energy: 1.2988985715451895
Energy: 1.0640916835896004
Energy: 1.4169801230025871
Energy: 1.298898571547358
Energy: 1.0640916835888776
Energy: 1.1820708762813052
Energy: 1.0640916835874321
Energy: 1.2988985715459125
Energy: 1.0640916835874321
Energy: 1.4169801230011416
Energy: 1.2988985715459125
Energy: 1.0640916835874321
Energy: 1.2466304213120623
Energy: 1.0640916835896004
Energy: 1.2988985715451895
Energy: 1.0640916835881549
Energy: 1.4169801230018642
Energy: 1.2988985715459125
Energy: 1.0640916835881549
Energy: 1.4602801826238379
Energy: 1.0640916835867096
Energy: 1.2988985715451895
Energy: 1.0640916835888776
Energy: 1.2204642846519
Energy: 1.2988985715444668
Energy: 1.0640916835896004
Energy: 1.1820719192020546
Energy: 1.0640916835867096
Energy: 1.2988985715451895
Energy: 1.0640916835874321
Energy: 1.4169801230011416
Energy: 1.2988985715451895
Energy: 1.0640916835867096
Energy: 1.2466231386695374
Energy: 1.0640916835896004
Energy: 1.2988985715451895
Energy: 1.0640916835867096
Energy: 1.4169801229996961
Energy: 1.2988985715451895
Energy: 1.0640916835881549
Energy: 1.4169801229960823
Energy: 1.0640916835881549
Energy: 1.2988985715451895
Energy: 1.0640916835888776
Energy: 1.2204648369636426
Energy: 1.2988985715451895
Energy: 1.0640916835888776
Energy: 1.4169801229982504
Energy: 1.0640916835874321
Energy: 1.2988985715444668
Energy: 1.0640916835874321
Energy: 1.4169801229996961
Energy: 1.2988985715444668
Energy: 1.0640916835874321
Energy: 1.4169801229953594
Energy: 1.0640916835888776
Energy: 1.2988985715451895
Energy: 1.0640916835881549
Energy: 1.4169801229982504
Energy: 1.2988985715451895
Energy: 1.0640916835874321
Energy: 1.4169801229968049
Energy: 1.0640916835867096
Energy: 1.2988985715451895
Energy: 1.0640916835903231
Energy: 1.2204651493970287
Energy: 1.2988985715444668
Energy: 1.0640916835888776
Energy: 1.4169801229953594
Energy: 1.0640916835867096
Energy: 1.2988985715459125
Energy: 1.0640916835874321
Energy: 1.4169801229975278
Energy: 1.2988985715451895
Energy: 1.0640916835867096
Energy: 1.4169801229931913
Energy: 1.0640916835888776
Energy: 1.2988985715459125
Energy: 1.0640916835874321
Energy: 1.4169801229960823
Energy: 1.2988985715451895
Energy: 1.0640916835881549
Energy: 1.4169801229931913
Energy: 1.0640916835874321
Energy: 1.2988985715451895
Energy: 1.0640916835888776
Energy: 1.2204656541952985
Energy: 1.2988985715459125
Energy: 1.0640916835888776
Energy: 1.416980122993914
Energy: 1.0640916835874321
Energy: 1.2988985715451895
Energy: 1.0640916835867096
Energy: 1.4169801229975278
Energy: 1.2988985715444668
Energy: 1.0640916835867096
Energy: 1.416980122991023
Energy: 1.0640916835896004
Energy: 1.2988985715451895
Energy: 1.0640916835881549
Energy: 1.4169801229946368
Energy: 1.2988985715459125
Energy: 1.0640916835881549
Energy: 1.416980122991023
Energy: 1.0640916835874321
Energy: 1.2988985715459125
Energy: 1.0640916835888776
Energy: 1.4169801229931913
Energy: 1.2988985715451895
Energy: 1.0640916835896004
Energy: 1.4169801229924686
Energy: 1.0640916835874321
Energy: 1.2988985715466352
Energy: 1.0640916835874321
Energy: 1.4169801229946368
Energy: 1.2988985715451895
Energy: 1.0640916835859866
Energy: 1.4169801229888548
Energy: 1.0640916835888776
Energy: 1.2988985715451895
Energy: 1.0640916835867096
Energy: 1.4169801229917456

minimum gb energy = 1.0640916835859866 eV
minimum distance =  2.37792518313631 Angstroms
sigma value = 23