Model name: model_name=MEAM_LAMMPS_CostaAgrenClavaguera_2007_AlNi__MO_131642768288_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650778174401
cohesive_energy=3.3602642530493245
mass=26.981538
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: 0.012707191080904366
Energy: 0.28428454045671375
Energy: 0.7678789864809237
Energy: 0.28419753110650486
Energy: 0.012707191080290722
Energy: 0.2842845404565092
Energy: 0.3979536723303436
Energy: 0.397325205786571
Energy: 0.013136761996070475
Energy: 0.11418629812819144
Energy: 0.013157547980798831
Energy: 0.397325205787571
Energy: 0.013136761996070475
Energy: 0.11418629812839597
Energy: 0.012707191080904366
Energy: 0.28428454045671375
Energy: 0.7678789864811055
Energy: 0.28419753110650486
Energy: 0.012707191080290722
Energy: 0.28428454045671375
Energy: 0.397953672330139
Energy: 0.3973252057861846
Energy: 0.013136761996275021
Energy: 0.11418629812819144
Energy: 0.013157547980798831
Energy: 0.39732520578736646
Energy: 0.013136761995865925
Energy: 0.11418629812839597
Energy: 0.012707191080904366
Energy: 0.28428454045671375
Energy: 0.7678789864811055
Energy: 0.28419753110650486
Energy: 0.012707191080290722
Energy: 0.28428454045671375
Energy: 0.7678789864805144
Energy: 0.3973252057863665
Energy: 0.013136761996275021
Energy: 0.11418629812819144
Energy: 0.013157547980594283
Energy: 0.397325205787571
Energy: 0.013136761995865925
Energy: 0.11418629812839597

minimum gb energy = 0.012707191080290722 eV
minimum distance =  2.83283254905974 Angstroms
sigma value = 5


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

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Energy: 0.6865793479888767
Energy: 0.688225954558526
Energy: 0.6866508943068323
Energy: 0.666021034910154
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Energy: 0.6418086750680406
Energy: 0.6286614286559336
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Energy: 0.6343294009439461
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Energy: 0.6286614286534901
Energy: 0.6727991957851712
Energy: 0.6240176156893887
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Energy: 0.6546617654761444
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Energy: 0.6331639551607972
Energy: 0.7217000524089603
Energy: 0.6284934813676516
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Energy: 0.7217000524089603
Energy: 0.6901258671229458
Energy: 0.6368849683137097
Energy: 0.6858283244964168
Energy: 0.6575524364288519
Energy: 0.6901258671278325
Energy: 0.6368849683185966
Energy: 0.6858283244915299
Energy: 0.641778305627972
Energy: 0.6501806631533816
Energy: 0.6985795712540234
Energy: 0.6574165843849656
Energy: 0.6417783056304154
Energy: 0.6501806631533816
Energy: 0.6985795712466929
Energy: 0.6248404625049879
Energy: 0.6429893121191373
Energy: 0.6966014694947847
Energy: 0.635434864674205
Energy: 0.6248404625049879
Energy: 0.6429893121142505
Energy: 0.6966014694947847
Energy: 0.6212305994902424
Energy: 0.6567410934499652
Energy: 0.6812118949523969
Energy: 0.6725707954242202
Energy: 0.6212305994877988
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Energy: 0.6557676492523752
Energy: 0.6625864882818097
Energy: 0.6205869747763981
Energy: 0.6193217282776613
Energy: 0.6557676492499318
Energy: 0.6625864882818097

minimum gb energy = 0.6169280475792797 eV
minimum distance =  2.5391054212708 Angstroms
sigma value = 401


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

Energy: 0.6371476393425445
Energy: 0.6533856457477448
Energy: 0.730980865672453
Energy: 0.6539173033177078
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Energy: 0.6320665339357278
Energy: 0.6429341369759678
Energy: 0.6444866152259364
Energy: 0.6319334003883915
Energy: 0.6481699602173953
Energy: 0.6527352736537847
Energy: 0.6448983942669303
Energy: 0.6319334003853658
Energy: 0.6481699602171431
Energy: 0.6527352736560035
Energy: 0.6336571134679395
Energy: 0.6337067307979979
Energy: 0.6954314933245574
Energy: 0.6366396904912316
Energy: 0.6336571134651661
Energy: 0.6337067307974431
Energy: 0.6954314933251121
Energy: 0.6409565074726707
Energy: 0.6494346312827735
Energy: 0.6871351213104839
Energy: 0.6353432928865852
Energy: 0.6409565074726707
Energy: 0.6494346312819163
Energy: 0.6871351213093746
Energy: 0.6428927589244092
Energy: 0.6473234054915498
Energy: 0.6427362650025924
Energy: 0.6350533420343881
Energy: 0.6428927589255187
Energy: 0.6473234054901377
Energy: 0.6427362650017854
Energy: 0.6392948856669708
Energy: 0.6317843554156902
Energy: 0.6422668115701886
Energy: 0.641075816693935
Energy: 0.6392948856653067
Energy: 0.631784355417909
Energy: 0.6422668115685245
Energy: 0.6293406255823862
Energy: 0.6347034381498922
Energy: 0.6413592466854287
Energy: 0.6315787524619075
Energy: 0.6293406255812769
Energy: 0.6347034381504467
Energy: 0.6413592466843193
Energy: 0.621351592939712
Energy: 0.653385645748602
Energy: 0.7108393042555723
Energy: 0.653917303316901
Energy: 0.6213515929455111
Energy: 0.6533856457488542
Energy: 0.7108393042563792
Energy: 0.6298078097050056
Energy: 0.6258690466043724
Energy: 0.6485229520546917
Energy: 0.6450259073767971
Energy: 0.6298078097063671
Energy: 0.6258690466065912
Energy: 0.6485229520561037

minimum gb energy = 0.621351592939712 eV
minimum distance =  2.55418671638385 Angstroms
sigma value = 311


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

Energy: 0.6613935399401185
Energy: 0.6546839910995289
Energy: 0.710456604833124
Energy: 0.6523872015075989
Energy: 0.6613935399404388
Energy: 0.6546839910995289
Energy: 0.7169344664544327
Energy: 0.6803608585351812
Energy: 0.6397677421435856
Energy: 0.6664583197126733
Energy: 0.6523684377295554
Energy: 0.6803608585348608
Energy: 0.6397677421429451
Energy: 0.6664583197126733
Energy: 0.6516188472250225
Energy: 0.6620454880862444
Energy: 0.710625503955136
Energy: 0.6565674001045934
Energy: 0.6516188472250225
Energy: 0.6620454880856039
Energy: 0.7106255039548157
Energy: 0.658275014420532
Energy: 0.6415403016203395
Energy: 0.6917232867977474
Energy: 0.64272782707347
Energy: 0.6582750144208523
Energy: 0.6415403016206598
Energy: 0.6917232867964664
Energy: 0.6711522023186232
Energy: 0.6521089224960663
Energy: 0.6999994285758866
Energy: 0.6589577988259736
Energy: 0.6711522023186232
Energy: 0.6521089224963866
Energy: 0.6798481729378375
Energy: 0.6595665196736991
Energy: 0.6423567475666193
Energy: 0.6651386054522941
Energy: 0.64061197657892
Energy: 0.6595665196730585
Energy: 0.6423567475672598
Energy: 0.6651386054519738
Energy: 0.6549795180453157
Energy: 0.6970916809642054
Energy: 0.6774918477466474
Energy: 0.6643500516988713
Energy: 0.6549795180446752
Energy: 0.6970916809645257
Energy: 0.6774918477463272
Energy: 0.658811102185825
Energy: 0.6477049661229488
Energy: 0.6882796207041341
Energy: 0.6535805805390466
Energy: 0.658811102185825
Energy: 0.6477049661223083
Energy: 0.6882796207047747
Energy: 0.647641596793446
Energy: 0.628952018725259
Energy: 0.6959039935192731
Energy: 0.644597913647668
Energy: 0.6476415967937664
Energy: 0.6289520187258993
Energy: 0.6959039935237568
Energy: 0.6639427533871967
Energy: 0.6701521145334189
Energy: 0.7035849816670384
Energy: 0.6744366889169864
Energy: 0.6639427533871967
Energy: 0.6701521145330988
Energy: 0.7035849816663978
Energy: 0.6875816057082603
Energy: 0.6603411621904436
Energy: 0.7260332884987534
Energy: 0.640103726273485
Energy: 0.6875816057082603
Energy: 0.6603411621898029
Energy: 0.7260332884984331
Energy: 0.6578037850575571
Energy: 0.6796860743282529
Energy: 0.6928597735105675
Energy: 0.6613351870332502
Energy: 0.6578037850572368
Energy: 0.6796860743279326
Energy: 0.6928597735105675
Energy: 0.6588685000400952
Energy: 0.6548437408135838
Energy: 0.6879340555840451
Energy: 0.6413936110099501
Energy: 0.6588685000394549
Energy: 0.6548437408135838
Energy: 0.6879340555840451
Energy: 0.6363003294694592
Energy: 0.6634564593659091
Energy: 0.673625044375037
Energy: 0.6571364794929772
Energy: 0.6363003294688188
Energy: 0.6634564593659091
Energy: 0.6736250443753572
Energy: 0.6719379104989311
Energy: 0.6413520875926361
Energy: 0.6885049883439835
Energy: 0.6402411993939404
Energy: 0.6719379104992514
Energy: 0.6413520875926361
Energy: 0.6885049883446241
Energy: 0.6578512510687545
Energy: 0.6595118332257969
Energy: 0.692194643742697
Energy: 0.6832511756921867
Energy: 0.6578512510687545
Energy: 0.6595118332251565
Energy: 0.692194643742697
Energy: 0.6725436140370978
Energy: 0.6426424010920896
Energy: 0.7056782708197903
Energy: 0.6394626165950398
Energy: 0.6725436140377383
Energy: 0.642642401091449
Energy: 0.7056782708204308
Energy: 0.6546357915425131
Energy: 0.7020278805487856
Energy: 0.6965878972435505
Energy: 0.6683620414675818
Energy: 0.6546357915418723
Energy: 0.7020278805484653
Energy: 0.69658789724291
Energy: 0.6463137301650864
Energy: 0.6464560101935737
Energy: 0.6948735498606563
Energy: 0.6488249892179311
Energy: 0.6463137301647662
Energy: 0.6464560101942142
Energy: 0.6948735498606563
Energy: 0.6588666096018274
Energy: 0.6404898502869179
Energy: 0.6774432296845186
Energy: 0.6449333368179333
Energy: 0.6588666096005463
Energy: 0.6404898502869179
Energy: 0.6774432296845186
Energy: 0.6620463258991901
Energy: 0.6643309463989118
Energy: 0.680020219681012
Energy: 0.6744351729298947
Energy: 0.6620463258991901
Energy: 0.6643309463989118
Energy: 0.6800202196813323
Energy: 0.6685353700981403
Energy: 0.6394507354801207
Energy: 0.6665932119256734
Energy: 0.6321236494567091
Energy: 0.6685353700971796
Energy: 0.6394507354801207
Energy: 0.666593211925033
Energy: 0.6537399806697186
Energy: 0.6595136436171922
Energy: 0.6781925633036405
Energy: 0.6516222331861203
Energy: 0.6537399806690781
Energy: 0.6595136436175123
Energy: 0.6781925633036405
Energy: 0.6463296855827529
Energy: 0.6398512724198735
Energy: 0.6870193195068117
Energy: 0.6415959353191046
Energy: 0.6463296855833934
Energy: 0.6398512724201938
Energy: 0.6870193195058509
Energy: 0.6489926327205487
Energy: 0.6578966262116512
Energy: 0.6720537454581667
Energy: 0.6469625956978547
Energy: 0.6489926327208689
Energy: 0.6578966262119715
Energy: 0.6720537454581667
Energy: 0.6789355419683974
Energy: 0.6525120979224924
Energy: 0.6662469275524944
Energy: 0.6496314051102792
Energy: 0.6789355419696786
Energy: 0.6525120979221721
Energy: 0.6662469275521742
Energy: 0.6682965867207675
Energy: 0.6545539443880896
Energy: 0.7183234270865029
Energy: 0.6546163157530215
Energy: 0.6682965867207675
Energy: 0.6545539443884099
Energy: 0.7183234270740128
Energy: 0.6793556195281822
Energy: 0.6424857538211588
Energy: 0.6663632753704917
Energy: 0.65609366593242
Energy: 0.6793556195278618
Energy: 0.6424857538211588
Energy: 0.666363275370812
Energy: 0.6515565611689111
Energy: 0.6654266353452616
Energy: 0.6881772142519597
Energy: 0.6380437088731008
Energy: 0.6515565611695517
Energy: 0.6654266353443008
Energy: 0.6881772142513192
Energy: 0.6448715002206644
Energy: 0.6491750242722364
Energy: 0.6865650704871087
Energy: 0.6320428717106429
Energy: 0.6448715002209846
Energy: 0.6491750242715959
Energy: 0.6865650704874291
Energy: 0.6572734047308447
Energy: 0.6520268779344961
Energy: 0.7004791204530989
Energy: 0.6586152769825331
Energy: 0.6572734047305245
Energy: 0.6520268779344961
Energy: 0.7004791204534191
Energy: 0.662170735281482
Energy: 0.6326730606563046
Energy: 0.6667365558539834
Energy: 0.6447539847435348
Energy: 0.662170735282763
Energy: 0.6326730606566248
Energy: 0.6667365558539834
Energy: 0.6706658410063313
Energy: 0.6956242530682462
Energy: 0.6790117868521893
Energy: 0.6545588888521618
Energy: 0.6706658410063313
Energy: 0.6956242530688865
Energy: 0.6790117868515486
Energy: 0.6607198707861628
Energy: 0.6569973936083798
Energy: 0.6871021086528871
Energy: 0.6405812332970042
Energy: 0.6607198707855221
Energy: 0.6569973936083798
Energy: 0.6871021086522465
Energy: 0.6463474430944175
Energy: 0.6559205097966693
Energy: 0.7230654919137502
Energy: 0.6375666709958052
Energy: 0.6463474430947377
Energy: 0.6559205097963491
Energy: 0.7230654919003138
Energy: 0.6639327154238349
Energy: 0.6756987077647005
Energy: 0.6971548092809173
Energy: 0.696704328712464
Energy: 0.6639327154231944
Energy: 0.6756987077650207
Energy: 0.6971548092809173

minimum gb energy = 0.628952018725259 eV
minimum distance =  2.54505396643418 Angstroms
sigma value = 39


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

Energy: 0.659290325173093
Energy: 0.6794058742510305
Energy: 0.7119288165655774
Energy: 0.6794201771120763
Energy: 0.6592903251734711
Energy: 0.6794058742495185
Energy: 0.7119288165655774
Energy: 0.6555168542931247
Energy: 0.6615564704740483
Energy: 0.6217681539889997
Energy: 0.6622149362281533
Energy: 0.6555168542938805
Energy: 0.6615564704706468
Energy: 0.6217681539863539
Energy: 0.6593466048921361
Energy: 0.6247376873354097
Energy: 0.6545393721128054
Energy: 0.6406502833821919
Energy: 0.6593466048947818
Energy: 0.6247376873365437
Energy: 0.6545393721124276
Energy: 0.6511912251334822
Energy: 0.6615358599620479
Energy: 0.622520324257175
Energy: 0.6835101962103233
Energy: 0.6511912251338602
Energy: 0.6615358599631815
Energy: 0.6225203242579308
Energy: 0.6686324330470794
Energy: 0.6391223943046478
Energy: 0.6635624166455862
Energy: 0.6406576369048508
Energy: 0.6686324330482133
Energy: 0.639122394303136
Energy: 0.6635624166440743
Energy: 0.6472105966874256
Energy: 0.6386045966759926
Energy: 0.6613766113219479
Energy: 0.6767981687819048
Energy: 0.6472105966896934
Energy: 0.6386045966752365
Energy: 0.6613766113196801
Energy: 0.7148845675232531
Energy: 0.6398306245969518
Energy: 0.6537493851503906
Energy: 0.6402027035325342
Energy: 0.7148845675217413
Energy: 0.6398306245980857
Energy: 0.6537493851470233
Energy: 0.6475473400690545
Energy: 0.664049513483945
Energy: 0.6823144323285896
Energy: 0.6639093529057752
Energy: 0.6475473400694325
Energy: 0.6640495134850789
Energy: 0.6823144323301015
Energy: 0.7148936299749633
Energy: 0.6402263299690054
Energy: 0.6596863198219666
Energy: 0.6398205538263809
Energy: 0.7148936299723174
Energy: 0.6402263299678717
Energy: 0.6596863198219666
Energy: 0.6514182043566279
Energy: 0.676453518614817
Energy: 0.6614458211180314
Energy: 0.6385533506608176
Energy: 0.6514182043581054
Energy: 0.6764535186151949
Energy: 0.6614458211176534
Energy: 0.6684841757422637
Energy: 0.6406597356219793
Energy: 0.6601413475966159
Energy: 0.6390550509448771
Energy: 0.6684841757430197
Energy: 0.6406597356216013
Energy: 0.6659736761889742
Energy: 0.6508455364792989
Energy: 0.6834620832810102
Energy: 0.6226107676659761
Energy: 0.6616496596642758
Energy: 0.6508455364792989
Energy: 0.6834620832817662
Energy: 0.6226107676674881
Energy: 0.6592976056215861
Energy: 0.6406965038846264
Energy: 0.6646120780880561
Energy: 0.6247941094874414
Energy: 0.6592976056200741
Energy: 0.6406965038831145
Energy: 0.6646120780895681
Energy: 0.6557315421132435
Energy: 0.6622615652777002
Energy: 0.6217368594909355
Energy: 0.6615519674120527
Energy: 0.6557315421155113
Energy: 0.6622615652777002
Energy: 0.6217368594909355
Energy: 0.6592903251727151
Energy: 0.6794058742510305
Energy: 0.671424442678008
Energy: 0.6794201771120763
Energy: 0.659290325173093
Energy: 0.6794058742491406
Energy: 0.6714244426764961
Energy: 0.6555168542935027
Energy: 0.6615564704736704
Energy: 0.6217681539908895
Energy: 0.6622149362292873
Energy: 0.6555168542938805
Energy: 0.6615564704714026
Energy: 0.6217681539863539
Energy: 0.6593466048925141
Energy: 0.6247376873354097
Energy: 0.6589384711001726
Energy: 0.6406502833821919
Energy: 0.6593466048951597
Energy: 0.6247376873361656
Energy: 0.6589384711009285
Energy: 0.6511912251342382
Energy: 0.6615358599620479
Energy: 0.622520324257175
Energy: 0.6835101962103233
Energy: 0.6511912251342382
Energy: 0.6615358599631815
Energy: 0.622520324257553
Energy: 0.6686324330474575
Energy: 0.639122394303892
Energy: 0.6587977383905562
Energy: 0.6406576369048508
Energy: 0.6686324330478353
Energy: 0.6391223943023799
Energy: 0.6587977383916902
Energy: 0.6472105966878036
Energy: 0.6386045966763704
Energy: 0.6613766113208139
Energy: 0.6767981687834166
Energy: 0.6472105966889374
Energy: 0.6386045966756144
Energy: 0.661376611320058
Energy: 0.7148845675228752
Energy: 0.6398306245973298
Energy: 0.6302731773223559
Energy: 0.640202703532912
Energy: 0.7148845675224972
Energy: 0.6398306245977077
Energy: 0.6302731773234898
Energy: 0.6475473400701884
Energy: 0.664049513484701
Energy: 0.6823144323282115
Energy: 0.6639093529065311
Energy: 0.6475473400698103
Energy: 0.6640495134854569
Energy: 0.6823144323301015
Energy: 0.7148936299753412
Energy: 0.6402263299693834
Energy: 0.6467290964452109
Energy: 0.6398205538260029
Energy: 0.7148936299719395
Energy: 0.6402263299678717
Energy: 0.6467290964440771
Energy: 0.6514182043566279
Energy: 0.6764535186151949
Energy: 0.6614458211180314
Energy: 0.6385533506611957
Energy: 0.6514182043584834
Energy: 0.6764535186151949
Energy: 0.6614458211176534
Energy: 0.6684841757430197
Energy: 0.6406597356216013
Energy: 0.6792712577675462
Energy: 0.6390550509448771
Energy: 0.6684841757426415
Energy: 0.6406597356227353
Energy: 0.6792712577690581
Energy: 0.6508455364789208
Energy: 0.6834620832810102
Energy: 0.6226107676652202
Energy: 0.6616496596635196
Energy: 0.6508455364796767
Energy: 0.6834620832821442
Energy: 0.622610767666732
Energy: 0.6592976056219639
Energy: 0.6406965038846264
Energy: 0.6625660753747152
Energy: 0.6247941094870634
Energy: 0.6592976056204521
Energy: 0.6406965038827366
Energy: 0.6625660753754711
Energy: 0.6557315421128654
Energy: 0.6622615652777002
Energy: 0.6217368594909355
Energy: 0.6615519674112967
Energy: 0.6557315421151333
Energy: 0.6622615652777002
Energy: 0.6217368594905575
Energy: 0.6592903251727151
Energy: 0.6794058742510305
Energy: 0.6714244426772521
Energy: 0.6794201771120763
Energy: 0.6592903251734711
Energy: 0.6794058742495185
Energy: 0.6714244426768741
Energy: 0.6555168542931247
Energy: 0.6615564704736704
Energy: 0.6217681539901336
Energy: 0.6622149362289093
Energy: 0.6555168542938805
Energy: 0.6615564704710246
Energy: 0.621768153985976

minimum gb energy = 0.6217368594905575 eV
minimum distance =  2.62379728035198 Angstroms
sigma value = 21


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

Energy: 0.6714013313883365
Energy: 0.7285660914715921
Energy: 0.6889395023689591
Energy: 0.7288127502764532
Energy: 0.6714013313883365
Energy: 0.7285660914706745
Energy: 0.6889395023694179
Energy: 0.6757873723000567
Energy: 0.6680542464225782
Energy: 0.6443241701705467
Energy: 0.6679372201229733
Energy: 0.6757873722991391
Energy: 0.6680542464225782
Energy: 0.6443241701696291
Energy: 0.6747388587857626
Energy: 0.6638855645337804
Energy: 0.6767688758547625
Energy: 0.6660544736978772
Energy: 0.6747388587857626
Energy: 0.6638855645337804
Energy: 0.6767688758547625
Energy: 0.6619057912400457
Energy: 0.669198109821247
Energy: 0.6512645484662187
Energy: 0.6550001107860942
Energy: 0.6619057912382104
Energy: 0.6691981098217057
Energy: 0.6512645484648423
Energy: 0.6548073396574338
Energy: 0.6267221009859344
Energy: 0.649858992097659
Energy: 0.6758500827240045
Energy: 0.6548073396588102
Energy: 0.6267221009836402
Energy: 0.6498589920972002
Energy: 0.662051606413438
Energy: 0.6356727292851904
Energy: 0.7172522667813621
Energy: 0.6615835408454273
Energy: 0.6620516064138969
Energy: 0.6356727292851904
Energy: 0.7172522667827387
Energy: 0.6542054331811794
Energy: 0.6268147954430832
Energy: 0.6498959831822416
Energy: 0.6658385768027099
Energy: 0.6542054331816382
Energy: 0.6268147954449186
Energy: 0.6498959831817828
Energy: 0.6681971699750441
Energy: 0.6462204216400408
Energy: 0.7218828247648931
Energy: 0.6589920484180257
Energy: 0.6681971699755029
Energy: 0.6462204216409584
Energy: 0.721882824765352
Energy: 0.6541498473809695
Energy: 0.6621433952211782
Energy: 0.671528961305433
Energy: 0.7109506873085452
Energy: 0.6541498473814283
Energy: 0.6621433952207193
Energy: 0.6715289613045153
Energy: 0.6547025424778208
Energy: 0.6703123535213408
Energy: 0.6541655559190153
Energy: 0.6588804972749922
Energy: 0.6547025424782796
Energy: 0.6703123535204232
Energy: 0.6541655559180977
Energy: 0.6999861730684304
Energy: 0.7046502585847227
Energy: 0.6631660889152488
Energy: 0.6510068367855034
Energy: 0.6999861730684304
Energy: 0.7046502585847227
Energy: 0.6631660889161665
Energy: 0.6300736058564136
Energy: 0.6488755952156273
Energy: 0.6488383518407325
Energy: 0.6502348160775867
Energy: 0.6300736058573312
Energy: 0.6488755952151892
Energy: 0.6488383518425679
Energy: 0.7089564182087265
Energy: 0.6508425023281276
Energy: 0.6555303334226644
Energy: 0.6577187040974306
Energy: 0.7089564182078089
Energy: 0.6508425023281276
Energy: 0.6555303334222057
Energy: 0.633664445316891
Energy: 0.6489100963110207
Energy: 0.6527076226305716
Energy: 0.6334833786348799
Energy: 0.633664445316891
Energy: 0.6489100963096442
Energy: 0.6527076226301125
Energy: 0.6980976747769502
Energy: 0.6423443467340633
Energy: 0.6560640003712767
Energy: 0.657094109358637
Energy: 0.6980976747760326
Energy: 0.6423443467326867
Energy: 0.6560640003703591
Energy: 0.629557659505306
Energy: 0.6921347687380194
Energy: 0.6527503553861506
Energy: 0.6433619819174492
Energy: 0.6295576595048471
Energy: 0.6921347687380194
Energy: 0.6527503553852328
Energy: 0.6976713447293119
Energy: 0.6422493555127395
Energy: 0.651483038665386
Energy: 0.6570026496059241
Energy: 0.6976713447293119
Energy: 0.642249355514116
Energy: 0.6514830386667626
Energy: 0.6295293202416015
Energy: 0.6717580106166309
Energy: 0.6590959973521995
Energy: 0.6512550347036192
Energy: 0.6295293202416015
Energy: 0.6717580106157132
Energy: 0.6590959973540349
Energy: 0.677925286065945
Energy: 0.6422527272590837
Energy: 0.6749653792986003
Energy: 0.6483458140436754
Energy: 0.6779252860650273
Energy: 0.6422527272586248
Energy: 0.6749653792981415
Energy: 0.6298591120415354
Energy: 0.6913317786017468
Energy: 0.6430791052229916
Energy: 0.6913242681990522
Energy: 0.6298591120410765
Energy: 0.6913317786035822
Energy: 0.6430791052225328
Energy: 0.6779268024174403
Energy: 0.648486238934491
Energy: 0.7048475630323843
Energy: 0.642324619703709
Energy: 0.6779268024188168
Energy: 0.6484862389335732
Energy: 0.7048475630319254
Energy: 0.629539254691035
Energy: 0.6512525023388548
Energy: 0.658806598536587
Energy: 0.6717481422578104
Energy: 0.6295392546905761
Energy: 0.6512525023379372
Energy: 0.6588065985370457
Energy: 0.6977591871762764
Energy: 0.6568867412827449
Energy: 0.6514761919344715
Energy: 0.6423013648866712
Energy: 0.6977591871758175
Energy: 0.6568867412822862
Energy: 0.6514761919353891
Energy: 0.6295565601842872
Energy: 0.6433180871945706
Energy: 0.6527267762607887
Energy: 0.6921492121164857
Energy: 0.6295565601833695
Energy: 0.6433180871941119
Energy: 0.6527267762594121
Energy: 0.6979977956292883
Energy: 0.657175167931011
Energy: 0.6455405402925096
Energy: 0.642432655193225
Energy: 0.6979977956288294
Energy: 0.6571751679305523
Energy: 0.6455405403003099

minimum gb energy = 0.6267221009836402 eV
minimum distance =  2.58193733025645 Angstroms
sigma value = 113


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

Energy: 0.6737450888314651
Energy: 0.7076420901924301
Energy: 0.6791237967031379
Energy: 0.7061589619599314
Energy: 0.6737450888314651
Energy: 0.7076420901947115
Energy: 0.6791237967051866
Energy: 0.7095921543747326
Energy: 0.6879905028545112
Energy: 0.6664634794715011
Energy: 0.6979589681605348
Energy: 0.7095921543754775
Energy: 0.6879905028542318
Energy: 0.6664634794709888
Energy: 0.682179504125879
Energy: 0.6930142139348272
Energy: 0.7096885812510779
Energy: 0.6811441237655905
Energy: 0.6821795041233184
Energy: 0.6930142139353395
Energy: 0.7096885812539181
Energy: 0.6639383807654391
Energy: 0.6919397805574505
Energy: 0.721785638996722
Energy: 0.6760318682729598
Energy: 0.6639383807659512
Energy: 0.6919397805559142
Energy: 0.7217856389962097
Energy: 0.6826611928124829
Energy: 0.6476016669823814
Energy: 0.6783905157716481
Energy: 0.6682529969571782
Energy: 0.6826611928106672
Energy: 0.6476016669815899
Energy: 0.6783905157716481
Energy: 0.6534639968651117
Energy: 0.6942260854580794
Energy: 0.7469924710295871
Energy: 0.6500635247246683
Energy: 0.6534639968640872
Energy: 0.6942260854573344
Energy: 0.7469924710280506
Energy: 0.654730408627149
Energy: 0.6450540657615311
Energy: 0.6859407370019933
Energy: 0.6600902557936538
Energy: 0.6547304086199789
Energy: 0.6450540657628349
Energy: 0.6859407370012018
Energy: 0.6547904375978938
Energy: 0.6792581939699128
Energy: 0.7280872917160763
Energy: 0.6576775828348432
Energy: 0.6547904375973816
Energy: 0.6792581939691679
Energy: 0.7280872917163558
Energy: 0.6476679556600147
Energy: 0.6578984122670458
Energy: 0.7070366521543505
Energy: 0.6615121069464313
Energy: 0.6476679556577333
Energy: 0.6578984122677908
Energy: 0.7070366521545834
Energy: 0.6372750064968605
Energy: 0.6706230873796747
Energy: 0.7064163395919046
Energy: 0.6637008662917308
Energy: 0.6372750064966277
Energy: 0.6706230873796747
Energy: 0.7064163395916718
Energy: 0.6595134913050794
Energy: 0.6718377476675452
Energy: 0.7280243645713319
Energy: 0.6643253351664081
Energy: 0.6595134913078728
Energy: 0.6718377476652172
Energy: 0.728024364567747
Energy: 0.6445512314482197
Energy: 0.669069455522435
Energy: 0.7225537642379648
Energy: 0.6650067271250597
Energy: 0.6445512314474747
Energy: 0.6690694555236921
Energy: 0.7225537642364284
Energy: 0.6670739918487825
Energy: 0.6677004416050591
Energy: 0.7201948166068014
Energy: 0.6708217219008371
Energy: 0.6670739918492945
Energy: 0.6677004416047798
Energy: 0.7201948166085707
Energy: 0.67108645312418
Energy: 0.711016339396883
Energy: 0.7453972917207707
Energy: 0.697482324997048
Energy: 0.6710864531226435
Energy: 0.7110163393963707
Energy: 0.7453972917212829
Energy: 0.6675610544197611
Energy: 0.6662244281142667
Energy: 0.7411351757905412
Energy: 0.6852680650990232
Energy: 0.6675610544207855
Energy: 0.6662244281134753
Energy: 0.741135175793102
Energy: 0.6726426976405043
Energy: 0.6756136272958131
Energy: 0.7169580403611803
Energy: 0.6767402450159258
Energy: 0.672642697641808
Energy: 0.6756136272927868
Energy: 0.716958040360901
Energy: 0.7046809621161393
Energy: 0.6659555083474638
Energy: 0.744608088783732
Energy: 0.6590494127351844
Energy: 0.7046809621156271
Energy: 0.6659555083433666
Energy: 0.7446080887847565
Energy: 0.6354952209774187
Energy: 0.6675468104751822
Energy: 0.7130928522355061
Energy: 0.6587718906792434
Energy: 0.6354952209797466
Energy: 0.6675468104708054
Energy: 0.7130928522357387
Energy: 0.7046267970746433
Energy: 0.6823422345642508
Energy: 0.7290546073184874
Energy: 0.6888372255707528
Energy: 0.7046267970751556
Energy: 0.6823422345627144
Energy: 0.7290546073189995
Energy: 0.638261431128322
Energy: 0.6759825459096124
Energy: 0.7028681481146672
Energy: 0.6314727220599292
Energy: 0.6382614311244575
Energy: 0.6759825459067722
Energy: 0.7028681481144344
Energy: 0.6473776120224704
Energy: 0.6452457727310023
Energy: 0.7234597731245628
Energy: 0.6914788395364573
Energy: 0.6473776120219583
Energy: 0.645245772729233
Energy: 0.7234597731230263
Energy: 0.6350198591636412
Energy: 0.6607778828279756
Energy: 0.6874476438730049
Energy: 0.6471884281364707
Energy: 0.6350198591608011
Energy: 0.6607778828272305
Energy: 0.6874476438755657
Energy: 0.6480772090493111
Energy: 0.6446074815551771
Energy: 0.7319234943335025
Energy: 0.6959201393445017
Energy: 0.6480772090503354
Energy: 0.644607481554665
Energy: 0.7319234943332696
Energy: 0.6706378284453428
Energy: 0.6639864481036668
Energy: 0.7003108084726106
Energy: 0.6596632264015194
Energy: 0.6706378284448307
Energy: 0.6639864481000817
Energy: 0.7003108084733555
Energy: 0.6616238090706652
Energy: 0.6737981380575764
Energy: 0.6706453141747952
Energy: 0.7234684516048376
Energy: 0.6616238090706652
Energy: 0.6737981380619531
Energy: 0.6706453141763318
Energy: 0.6721017594267568
Energy: 0.7057935121363264
Energy: 0.6966494936695916
Energy: 0.6702288686289313
Energy: 0.6721017594269897
Energy: 0.7057935121378628
Energy: 0.6966494936688467
Energy: 0.6973928661824713
Energy: 0.6700600367766337
Energy: 0.6565185513857755
Energy: 0.7399232299176761
Energy: 0.697392866181447
Energy: 0.6700600367776581
Energy: 0.6565185513865671
Energy: 0.6812103213316102
Energy: 0.7264244300021778
Energy: 0.7193912058266826
Energy: 0.708711090976293
Energy: 0.6812103213324018
Energy: 0.7264244300018985
Energy: 0.7193912058310591
Energy: 0.7094338292498231
Energy: 0.6703765624184943
Energy: 0.7020225957249061
Energy: 0.7374182944856861
Energy: 0.7094338292485194
Energy: 0.6703765624200309
Energy: 0.7020225957213211
Energy: 0.6654140970218095
Energy: 0.6989043400364074
Energy: 0.693567339814631
Energy: 0.6950471468656897
Energy: 0.6654140970207854
Energy: 0.6989043400358951
Energy: 0.6935673398113252
Energy: 0.6671839867126917
Energy: 0.6742066852274002
Energy: 0.7171274672173839
Energy: 0.7055256600523323
Energy: 0.6671839867167891
Energy: 0.6742066852263761
Energy: 0.7171274672151025
Energy: 0.663776097096226
Energy: 0.6470395018827816
Energy: 0.6771909865796801
Energy: 0.6710492976654214
Energy: 0.6637760970954345
Energy: 0.6470395018830608
Energy: 0.677190986579168
Energy: 0.6488794463028709
Energy: 0.667103789596721
Energy: 0.7412780969059785
Energy: 0.6834742115488033
Energy: 0.6488794463028709
Energy: 0.6671037895959295
Energy: 0.7412780969036972
Energy: 0.6508822124779935
Energy: 0.6469636292973394
Energy: 0.6697055868739273
Energy: 0.6480399836599544
Energy: 0.650882212478273
Energy: 0.6469636292978516
Energy: 0.6697055868770003
Energy: 0.6500777027083637
Energy: 0.6443109798261019
Energy: 0.730705235740381
Energy: 0.6833505137753577
Energy: 0.6500777027042666
Energy: 0.6443109798230289
Energy: 0.7307052357383323
Energy: 0.6438055991502833
Energy: 0.6539233068821935
Energy: 0.664594777249122
Energy: 0.6382461768543517
Energy: 0.6438055991520993
Energy: 0.6539233068827056
Energy: 0.6645947772498668
Energy: 0.6490622273043015
Energy: 0.6542612490813127
Energy: 0.7072906010063901
Energy: 0.6816773627994404
Energy: 0.6490622273048137
Energy: 0.6542612490841528
Energy: 0.7072906010030379
Energy: 0.6607275598560814
Energy: 0.6474526980061048
Energy: 0.6931884957237487
Energy: 0.6633270480183765
Energy: 0.6607275598563609
Energy: 0.6474526980066171
Energy: 0.6931884957247733
Energy: 0.6626685273324291
Energy: 0.6664720429515224
Energy: 0.7448243729708778
Energy: 0.6821281039101238
Energy: 0.6626685273303805
Energy: 0.666472042949986
Energy: 0.7448243729698535
Energy: 0.649547622418771
Energy: 0.6755204116367227
Energy: 0.7060579210189352
Energy: 0.6680641632697084
Energy: 0.6495476224159774
Energy: 0.6755204116362106
Energy: 0.7060579210184229
Energy: 0.6844117828057884
Energy: 0.66648513274106
Energy: 0.7348688030976965
Energy: 0.6958578478410347
Energy: 0.6844117828035071
Energy: 0.6664851327403151
Energy: 0.7348688030956481
Energy: 0.6494953816040366
Energy: 0.6621896179652779
Energy: 0.7488806436290251
Energy: 0.7029108897163673
Energy: 0.6494953816032916
Energy: 0.6621896179655108
Energy: 0.7488806436285129
Energy: 0.6733261271055159
Energy: 0.6672588646593147
Energy: 0.722518232427266
Energy: 0.6931803606956566
Energy: 0.6733261271062608
Energy: 0.667258864661084
Energy: 0.722518232427266
Energy: 0.6872909270714014
Energy: 0.662941105857091
Energy: 0.7433198535201839
Energy: 0.6399640661630484
Energy: 0.6872909270719135
Energy: 0.6629411058593724
Energy: 0.7433198535160866
Energy: 0.6476141329794448
Energy: 0.6686745608989495
Energy: 0.7097600338662476
Energy: 0.674592367909738
Energy: 0.6476141329799571
Energy: 0.668674560902814
Energy: 0.709760033865456

minimum gb energy = 0.6314727220599292 eV
minimum distance =  2.52007973231059 Angstroms
sigma value = 365


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

Energy: 0.6800288542668003
Energy: 0.5225047879136682
Energy: 0.7055096654806532
Energy: 0.5225047879136682
Energy: 0.6800288542668003
Energy: 0.5225047879142456
Energy: 0.6169933937939315
Energy: 0.6800288542662228
Energy: 0.5225047879136682
Energy: 0.6030912767446246
Energy: 0.5225047879148229
Energy: 0.6800288542668003
Energy: 0.5225047879142456
Energy: 0.543957022340252
Energy: 0.6800288542662228
Energy: 0.5225047879142456
Energy: 0.6421742208546763
Energy: 0.5225047879142456
Energy: 0.6800288542668003
Energy: 0.5225047879148229
Energy: 0.642174220855831
Energy: 0.6800288542662228
Energy: 0.5225047879142456
Energy: 0.6661074331206978
Energy: 0.5225047879130909
Energy: 0.6800288542668003
Energy: 0.5225047879142456
Energy: 0.6356430266591221
Energy: 0.6800288542668003
Energy: 0.5225047879136682
Energy: 0.6520940489149132
Energy: 0.5225047879142456
Energy: 0.6800288542668003
Energy: 0.5225047879148229
Energy: 0.603930195034816
Energy: 0.6800288542673775
Energy: 0.5225047879136682
Energy: 0.6259750846012831
Energy: 0.5225047879136682
Energy: 0.6800288542673775
Energy: 0.5225047879136682
Energy: 0.6570359396173818
Energy: 0.6800288542662228
Energy: 0.5225047879142456
Energy: 0.6162139779694066
Energy: 0.5225047879136682
Energy: 0.6800288542668003
Energy: 0.5225047879142456
Energy: 0.5924940876615404
Energy: 0.6800288542668003
Energy: 0.5225047879130909
Energy: 0.6288129103291064
Energy: 0.5225047879142456
Energy: 0.6800288542668003
Energy: 0.5225047879148229
Energy: 0.6288129103279516
Energy: 0.6800288542668003
Energy: 0.5225047879142456
Energy: 0.6036154972651048
Energy: 0.5225047879142456
Energy: 0.6800288542668003
Energy: 0.5225047879136682
Energy: 0.6169933937945089
Energy: 0.6800288542662228
Energy: 0.5225047879136682
Energy: 0.6172557553580417
Energy: 0.5225047879130909
Energy: 0.6800288542668003
Energy: 0.5225047879148229
Energy: 0.5924940876621179
Energy: 0.6800288542668003
Energy: 0.5225047879136682
Energy: 0.5924940876621179
Energy: 0.5225047879136682
Energy: 0.6800288542668003
Energy: 0.5225047879142456
Energy: 0.5924940876615404
Energy: 0.6800288542673775
Energy: 0.5225047879142456
Energy: 0.6169933937945089
Energy: 0.5225047879130909
Energy: 0.6800288542662228
Energy: 0.5225047879142456
Energy: 0.6169933937950861
Energy: 0.6800288542662228
Energy: 0.5225047879136682
Energy: 0.5924940876626953
Energy: 0.5225047879142456
Energy: 0.6800288542668003
Energy: 0.5225047879142456
Energy: 0.5924940876626953
Energy: 0.6800288542668003
Energy: 0.5225047879142456
Energy: 0.5924940876626953
Energy: 0.5225047879142456
Energy: 0.6800288542673775
Energy: 0.5225047879142456
Energy: 0.5924940876626953
Energy: 0.6800288542662228
Energy: 0.5225047879142456
Energy: 0.5924940876621179
Energy: 0.5225047879136682
Energy: 0.6800288542662228
Energy: 0.5225047879136682
Energy: 0.5924940876626953
Energy: 0.6800288542662228
Energy: 0.5225047879130909
Energy: 0.5924940876626953
Energy: 0.5225047879136682
Energy: 0.6800288542673775
Energy: 0.5225047879136682
Energy: 0.5924940876621179
Energy: 0.6800288542673775
Energy: 0.5225047879136682
Energy: 0.5924940876615404
Energy: 0.5225047879142456
Energy: 0.6800288542662228
Energy: 0.5225047879142456
Energy: 0.5924940876626953
Energy: 0.6800288542673775
Energy: 0.5225047879136682
Energy: 0.5924940876626953
Energy: 0.5225047879136682
Energy: 0.6800288542662228
Energy: 0.5225047879142456
Energy: 0.5924940876626953
Energy: 0.6800288542662228
Energy: 0.5225047879142456
Energy: 0.5924940876626953
Energy: 0.5225047879142456
Energy: 0.6800288542668003
Energy: 0.5225047879136682
Energy: 0.5924940876621179
Energy: 0.6800288542662228
Energy: 0.5225047879136682
Energy: 0.5924940876626953
Energy: 0.5225047879142456
Energy: 0.6800288542673775
Energy: 0.5225047879136682
Energy: 0.5924940876615404

minimum gb energy = 0.5225047879130909 eV
minimum distance =  2.66146110366047 Angstroms
sigma value = 23