Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdNi__MO_008996216289_000
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=3.521391749382019
cohesive_energy=4.450349977833563
mass=58.6934
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: 0.022218814389748247
Energy: 0.6895699322360166
Energy: 0.760864769915171
Energy: 0.6896131452561775
Energy: 0.022218814389748247
Energy: 0.6895699322360166
Energy: 0.760864769915171
Energy: 0.7598652765458006
Energy: 0.022357630591978345
Energy: 0.36403758878633163
Energy: 0.022530181625797747
Energy: 0.7598652765458006
Energy: 0.022357630589339764
Energy: 0.36403758878633163
Energy: 0.022218814389748247
Energy: 0.6895699322360166
Energy: 0.760864769915171
Energy: 0.6896131452561775
Energy: 0.022218814389748247
Energy: 0.6895699322360166
Energy: 0.760864769915171
Energy: 0.7598652765458006
Energy: 0.022357630589339764
Energy: 0.36403758878633163
Energy: 0.022530181625797747
Energy: 0.7598652765458006
Energy: 0.022357630589339764
Energy: 0.36403758878633163
Energy: 0.022218814389748247
Energy: 0.6895699322360166
Energy: 0.760864769915171
Energy: 0.6896131452561775
Energy: 0.022218814389748247
Energy: 0.6895699322360166
Energy: 0.760864769915171
Energy: 0.7598652765458006
Energy: 0.022357630589339764
Energy: 0.36403758878633163
Energy: 0.022530181625797747
Energy: 0.7598652765458006
Energy: 0.022357630589339764
Energy: 0.36403758878633163

minimum gb energy = 0.022218814389748247 eV
minimum distance =  2.47107344569491 Angstroms
sigma value = 5


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

Energy: 1.7826740107860637
Energy: 1.7755749270623102
Energy: 1.898439255741135
Energy: 1.7760148990230757
Energy: 1.7826740107860637
Energy: 1.7755749270655334
Energy: 1.898439255741135
Energy: 1.6642329294016407
Energy: 1.6653651260277824
Energy: 1.7868139902200866
Energy: 1.6998731815439665
Energy: 1.6642329294080875
Energy: 1.6653651260342295
Energy: 1.7868139902168632
Energy: 1.6572265875251895
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Energy: 1.7801603746935606
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Energy: 1.6871177889694828
Energy: 1.7801603746871135
Energy: 1.7283177916539232
Energy: 1.8444527893412497
Energy: 1.6669737293252234
Energy: 1.6423120971725553
Energy: 1.88673415873794
Energy: 1.737367316259821
Energy: 1.6669737293284468
Energy: 1.6423120971693317
Energy: 1.8724998937117774
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Energy: 1.888884882914621
Energy: 1.7265747684317243
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Energy: 1.7361070230660862
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Energy: 1.6783836938914984
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Energy: 1.7210698626828604
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Energy: 1.9091870057256901
Energy: 1.6969693245817352
Energy: 1.7210698626828604
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Energy: 1.909187005732137
Energy: 1.6712053399192806
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Energy: 1.6985137706597484
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Energy: 1.6646468209904846
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Energy: 1.7019571879422335
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Energy: 1.7684899017180313
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Energy: 1.7782509994572742
Energy: 1.6766088934310552
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Energy: 1.778250999473392
Energy: 1.781230106250694
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Energy: 1.7100310876035234
Energy: 1.728156289510483
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Energy: 1.678033905756968
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Energy: 1.6850898423943557
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Energy: 1.666366336931682
Energy: 1.6850898423879086
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Energy: 1.9609192389415506
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Energy: 1.8652861085479808
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Energy: 1.6781619917463826
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Energy: 1.6905551655043871
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Energy: 1.698775934863509
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Energy: 1.868549757589265
Energy: 1.7060159523868745
Energy: 1.6987759348731797
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Energy: 1.868549757589265
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Energy: 1.7301231884739705
Energy: 1.8826426973740458
Energy: 1.7852725988344142
Energy: 1.7181059689228642
Energy: 1.7301231884771937
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Energy: 1.6811037297294442
Energy: 1.8124158061716238
Energy: 1.7213218875750003
Energy: 1.7268826208064043
Energy: 1.6811037297326674
Energy: 1.8124158061684004
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Energy: 1.6810018632757302
Energy: 1.8561835885389764
Energy: 1.6982677141027427
Energy: 1.7183672427065266
Energy: 1.6810018632692827
Energy: 1.8561835885421996
Energy: 1.8324992399240962
Energy: 1.706947029045268
Energy: 1.8628645239487758
Energy: 1.7342973300693678
Energy: 1.832499239917649
Energy: 1.7069470290484914
Energy: 1.8628645239455521
Energy: 1.7161658397671813
Energy: 1.7236659493697581
Energy: 1.8574954189467925
Energy: 1.7413923577352064
Energy: 1.7161658397736284
Energy: 1.7236659493665347
Energy: 1.8574954189435688
Energy: 1.6533102985432238
Energy: 1.6668570145211705
Energy: 1.894510086784769
Energy: 1.6864041128803462
Energy: 1.653310298546447
Energy: 1.666857014517947
Energy: 1.8945100867879927
Energy: 1.6621304697422765
Energy: 1.7382307946535835
Energy: 1.9261642388122278
Energy: 1.810606799986889
Energy: 1.6621304697455002
Energy: 1.7382307946600308
Energy: 1.9261642388122278
Energy: 1.6391687218635207
Energy: 1.7456981406200378
Energy: 1.7281757157385687
Energy: 1.6678577595291832
Energy: 1.6391687218635207
Energy: 1.7456981406264849
Energy: 1.728175715735345

minimum gb energy = 1.6391687218635207 eV
minimum distance =  2.21234029192987 Angstroms
sigma value = 401


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

Energy: 1.7221987045596916
Energy: 1.7241637650899595
Energy: 1.921016826844901
Energy: 1.7031559389266404
Energy: 1.7221987045596916
Energy: 1.7241637650899595
Energy: 1.9475580097180014
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Energy: 1.686644891766521
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Energy: 1.7227059343735744
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Energy: 1.6709067672117077
Energy: 1.7700638870150396
Energy: 1.6931825395314788
Energy: 1.6519301353918823
Energy: 1.6709067672117077
Energy: 1.7700638870113803
Energy: 1.645268698088181
Energy: 1.7226102205453728
Energy: 1.790121745599237
Energy: 1.6917468314594712
Energy: 1.645268698088181
Energy: 1.7226102205453728
Energy: 1.778639697008977
Energy: 1.64535524390979
Energy: 1.675539759793052
Energy: 1.7620097673052222
Energy: 1.7264662262392108
Energy: 1.64535524390979
Energy: 1.6755397597893928
Energy: 1.762009767301563
Energy: 1.6565528193220749
Energy: 1.6818371911982521
Energy: 1.7500149112157208
Energy: 1.6673529586464522
Energy: 1.656552819325734
Energy: 1.6818371912055698
Energy: 1.7500149112048102
Energy: 1.7222574730639837
Energy: 1.7194628157367795
Energy: 1.75770010521375
Energy: 1.6641273229176383
Energy: 1.7222574730603242
Energy: 1.7194628157367795
Energy: 1.7788391369565246
Energy: 1.708460319475106
Energy: 1.7100387894678157
Energy: 1.8067134988805118
Energy: 1.6657389715748858
Energy: 1.7084603194787649
Energy: 1.7100387894641567
Energy: 1.8067134988768525
Energy: 1.6483468876832288
Energy: 1.6671219102043386
Energy: 1.686644891766521
Energy: 1.6821828855333978
Energy: 1.6483468876868879
Energy: 1.6671219102043386
Energy: 1.6965298428847062
Energy: 1.6578849243727187
Energy: 1.6747099365491689
Energy: 1.8643837124221514
Energy: 1.6732665977969194
Energy: 1.6578849243727187
Energy: 1.6747099365528282
Energy: 1.8919152495637033
Energy: 1.6669424559550676
Energy: 1.7241637650936184
Energy: 1.9183705733917544
Energy: 1.7031559389266404
Energy: 1.6669424559514088
Energy: 1.7241637650899595
Energy: 1.9183705733954137
Energy: 1.659599723170742
Energy: 1.7941888982700085
Energy: 1.8019733671204685
Energy: 1.6863798825038196
Energy: 1.659599723170742
Energy: 1.7941888982700085
Energy: 1.8019733671204685

minimum gb energy = 1.645268698088181 eV
minimum distance =  2.23148480287815 Angstroms
sigma value = 311


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

Energy: 1.8107256110837504
Energy: 1.6871373842446156
Energy: 1.8676575613820767
Energy: 1.6889968334053012
Energy: 1.8107256110829053
Energy: 1.6871373842463055
Energy: 1.8587965804363853
Energy: 1.7550141459661732
Energy: 1.6573968082173425
Energy: 1.7731197902476188
Energy: 1.6882580798599576
Energy: 1.7550141459665956
Energy: 1.6573968082164976
Energy: 1.7731197902488867
Energy: 1.709476736518261
Energy: 1.7500310442702527
Energy: 1.8783898312965863
Energy: 1.7214532762615287
Energy: 1.7094767365174162
Energy: 1.7500310442715201
Energy: 1.811567515798313
Energy: 1.7102186306712
Energy: 1.6871973135151745
Energy: 1.8617964465150236
Energy: 1.6787353117571246
Energy: 1.7102186306712
Energy: 1.6871973135160194
Energy: 1.8617964465162913
Energy: 1.704270965930098
Energy: 1.7094348040069471
Energy: 1.7696120974771663
Energy: 1.7269412102280135
Energy: 1.7042709659305209
Energy: 1.7094348040065248
Energy: 1.7696120974742473
Energy: 1.7008678881234958
Energy: 1.6594386309378961
Energy: 1.7120857168044534
Energy: 1.6638999247589583
Energy: 1.7008678881256085
Energy: 1.6594386309378961
Energy: 1.7120857168044534
Energy: 1.713487750161651
Energy: 1.8099622440236856
Energy: 1.8569615317911383
Energy: 1.7186767929508364
Energy: 1.7134877501620733
Energy: 1.8099622440228407
Energy: 1.856961531789871
Energy: 1.7153953125347337
Energy: 1.680072946580768
Energy: 1.7542778102852998
Energy: 1.7345947893364373
Energy: 1.7153953125321983
Energy: 1.680072946580768
Energy: 1.7542778101691863
Energy: 1.7205246658555593
Energy: 1.6720863487286703
Energy: 1.8552564498482982
Energy: 1.6780529730691
Energy: 1.7205246658576718
Energy: 1.6720863487303605
Energy: 1.7912061955263918
Energy: 1.7175097255936191
Energy: 1.7497752871925012
Energy: 1.861285400009713
Energy: 1.7700612388343495
Energy: 1.7175097255915068
Energy: 1.749775287194191
Energy: 1.8612854000101353
Energy: 1.803235170261638
Energy: 1.7565502542124098
Energy: 1.8679449673401483
Energy: 1.680777614275817
Energy: 1.803235170262906
Energy: 1.7565502542132554
Energy: 1.8679449673401483
Energy: 1.7200840437469846
Energy: 1.7348821523517657
Energy: 1.7254454745329846
Energy: 1.7299139792458529
Energy: 1.7200840437478297
Energy: 1.7348821523509208
Energy: 1.7254454745329846
Energy: 1.7026117157560818
Energy: 1.7134815576865428
Energy: 1.837883135533459
Energy: 1.6943978224371998
Energy: 1.7026117157548144
Energy: 1.7134815576865428
Energy: 1.8378831355338814
Energy: 1.6803850332185257
Energy: 1.72900938743905
Energy: 1.9193804733607471
Energy: 1.7375952406564452
Energy: 1.6803850332176804
Energy: 1.72900938743905
Energy: 1.9193804733603246
Energy: 1.7701639500602742
Energy: 1.6903662628774772
Energy: 1.8005955997274152
Energy: 1.6815429293276773
Energy: 1.7701639500581614
Energy: 1.6903662628757872
Energy: 1.8005955997261474
Energy: 1.7227846805066414
Energy: 1.7506574486556594
Energy: 1.8000342163427614
Energy: 1.7417329897880651
Energy: 1.7227846805087539
Energy: 1.7506574486556594
Energy: 1.8000342163410712
Energy: 1.787026030412166
Energy: 1.659632288119157
Energy: 1.7894787874321987
Energy: 1.6700260314789013
Energy: 1.7870260304117436
Energy: 1.6596322881195797
Energy: 1.789478787430931
Energy: 1.6975020714715032
Energy: 1.811338065546132
Energy: 1.759183270568695
Energy: 1.7486884994613634
Energy: 1.6975020714706581
Energy: 1.811338065546977
Energy: 1.7591832705691175
Energy: 1.7020234688950862
Energy: 1.6994434776138128
Energy: 1.8933160644433797
Energy: 1.7364950467531537
Energy: 1.7020234688946636
Energy: 1.6994434776129677
Energy: 1.8933160644429574
Energy: 1.7134478803383826
Energy: 1.671659981053003
Energy: 1.797063319071117
Energy: 1.7307775615745935
Energy: 1.7134478803383826
Energy: 1.6716599810542705
Energy: 1.7970633190706944
Energy: 1.7032277774306526
Energy: 1.7281498809773055
Energy: 1.8531561217154664
Energy: 1.756268358088104
Energy: 1.7032277774298077
Energy: 1.7281498809777278
Energy: 1.8531561217158885
Energy: 1.7489494033703308
Energy: 1.7607401071189281
Energy: 1.713991903435102
Energy: 1.680252169212568
Energy: 1.7489494033715982
Energy: 1.7607401071176607
Energy: 1.713991903435947
Energy: 1.7671009318441346
Energy: 1.7183318857424088
Energy: 1.8934097638292835
Energy: 1.7094296622877632
Energy: 1.7671009318432895
Energy: 1.718331885743254
Energy: 1.8934097638305507
Energy: 1.7207397970062142
Energy: 1.6619375072703777
Energy: 1.8360321447290853
Energy: 1.6851995969243554
Energy: 1.7207397970070593
Energy: 1.6619375072703777
Energy: 1.8360321447278178
Energy: 1.7130113693137115
Energy: 1.7209183967697377
Energy: 1.8311134946838232
Energy: 1.7046826023639436
Energy: 1.713011369312444
Energy: 1.720918396768048
Energy: 1.8311134946838232
Energy: 1.8185585330664815
Energy: 1.7574090736801464
Energy: 1.7145703816623656
Energy: 1.6822582711713858
Energy: 1.8185585330677494
Energy: 1.7574090736801464
Energy: 1.7145703816632107
Energy: 1.7356927674268317
Energy: 1.68628421273714
Energy: 1.852106121546788
Energy: 1.6834882573929988
Energy: 1.7356927674268317
Energy: 1.6862842127379851
Energy: 1.852106121545943
Energy: 1.775818160574926
Energy: 1.6575515738965114
Energy: 1.7731997651718816
Energy: 1.72114981947093
Energy: 1.7758181605753485
Energy: 1.6575515738977793
Energy: 1.7731997651701914
Energy: 1.7100787061284237
Energy: 1.7499340986431633
Energy: 1.8351511334721151
Energy: 1.7272344973952518
Energy: 1.7100787061284237
Energy: 1.7499340986431633
Energy: 1.8351511334721151
Energy: 1.710206684112359
Energy: 1.6871286869596647
Energy: 1.8666926920442886
Energy: 1.6792115091651578
Energy: 1.7102066841115524
Energy: 1.6871286869583968
Energy: 1.8666926920468234
Energy: 1.701906548499118
Energy: 1.7092922709698941
Energy: 1.7697803851004124
Energy: 1.7268365792229354
Energy: 1.7019065484982732
Energy: 1.709292270969049
Energy: 1.7697803851021026
Energy: 1.7459415072466526
Energy: 1.6897884290780891
Energy: 1.7121552723421254
Energy: 1.6637169043829156
Energy: 1.7459415072449627
Energy: 1.689788429079357
Energy: 1.7121552723404354
Energy: 1.7135747552086944
Energy: 1.8146672660659784
Energy: 1.864708089446865
Energy: 1.7253243988792126
Energy: 1.7135747552103844
Energy: 1.8146672660651333
Energy: 1.8647080894481327
Energy: 1.7159790458701831
Energy: 1.6800266073067538
Energy: 1.7541795557560236
Energy: 1.7310333278089938
Energy: 1.715979045869338
Energy: 1.6800266073063315
Energy: 1.7541795556039965
Energy: 1.7190175564655357
Energy: 1.6625405445238275
Energy: 1.8369997149477684
Energy: 1.6927312611248735
Energy: 1.7190175564655357
Energy: 1.662540544523405
Energy: 1.8369997149473456
Energy: 1.7283710511922539
Energy: 1.7495788246287374
Energy: 1.8340669186544505
Energy: 1.7704739743723852
Energy: 1.7283710511922539
Energy: 1.7495788246283148
Energy: 1.8340669186510705

minimum gb energy = 1.6573968082164976 eV
minimum distance =  2.24165997133107 Angstroms
sigma value = 39


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

Energy: 1.6703855409600292
Energy: 1.7063495574910648
Energy: 1.8538117048238676
Energy: 1.706558816325009
Energy: 1.6703855409585335
Energy: 1.7063495574855798
Energy: 1.8066387742152885
Energy: 1.650432533617668
Energy: 1.6867990217867477
Energy: 1.7623363022405558
Energy: 1.6867608125109999
Energy: 1.6504325336151746
Energy: 1.6867990217922326
Energy: 1.762336302240057
Energy: 1.6703347109820856
Energy: 1.5952230970471353
Energy: 1.673991462024183
Energy: 1.6316365823141126
Energy: 1.6703347109830828
Energy: 1.5952230970461383
Energy: 1.6886538964954954
Energy: 1.6496253506579839
Energy: 1.6865994771931094
Energy: 1.7626196492959865
Energy: 1.7582092447239503
Energy: 1.6496253506559895
Energy: 1.6865994771911148
Energy: 1.7626196492964852
Energy: 1.736507543412271
Energy: 1.6278857149930952
Energy: 1.6273736739449007
Energy: 1.6318825984341214
Energy: 1.7365075434067858
Energy: 1.627885714993594
Energy: 1.6273736739439033
Energy: 1.6495347192068068
Energy: 1.6782990710470185
Energy: 1.6933129508182059
Energy: 1.723404431625734
Energy: 1.6495347192053111
Energy: 1.6782990710470185
Energy: 1.6933129508127207
Energy: 1.8840923447669122
Energy: 1.629952325516989
Energy: 1.6423280352377305
Energy: 1.6310955954985207
Energy: 1.8840923447629232
Energy: 1.629952325518485
Energy: 1.6423280352372318
Energy: 1.6493083979540657
Energy: 1.6691508818292649
Energy: 1.7588747182241333
Energy: 1.6691180699003072
Energy: 1.6493083979575562
Energy: 1.6691508818297636
Energy: 1.7588747182221385
Energy: 1.8841863829664331
Energy: 1.6295549597660213
Energy: 1.7883754029274312
Energy: 1.6299472371261163
Energy: 1.8841863829689263
Energy: 1.629554959762032
Energy: 1.7500182568103513
Energy: 1.6497178756455908
Energy: 1.7234759632208771
Energy: 1.6934634287548613
Energy: 1.678295365269813
Energy: 1.6497178756460895
Energy: 1.7234759632213759
Energy: 1.6934634287583519
Energy: 1.7366518839313823
Energy: 1.6319085136051716
Energy: 1.8811307618568762
Energy: 1.6275561383481958
Energy: 1.7366518839323795
Energy: 1.6319085136021798
Energy: 1.6776978656558168
Energy: 1.6495707962498212
Energy: 1.758258078746467
Energy: 1.7627245816179866
Energy: 1.686720204845784
Energy: 1.6495707962503199
Energy: 1.7582580787489601
Energy: 1.76272458162048
Energy: 1.6704661970136636
Energy: 1.6321953058065057
Energy: 1.6867672302012635
Energy: 1.595176794198481
Energy: 1.6704661970171542
Energy: 1.6321953058089989
Energy: 1.6867672301987702
Energy: 1.6503889134011804
Energy: 1.6866682283665473
Energy: 1.7624394575553506
Energy: 1.6870265904165203
Energy: 1.650388913407164
Energy: 1.6866682283645524
Energy: 1.7624394575543532
Energy: 1.670385540960528
Energy: 1.706349557492561
Energy: 1.757884042012305
Energy: 1.7065588175715747
Energy: 1.6703855409585335
Energy: 1.7063495574870755
Energy: 1.7578840420128037
Energy: 1.6504325336171692
Energy: 1.6867990217867477
Energy: 1.762336302240057
Energy: 1.6867608125109999
Energy: 1.650432533614676
Energy: 1.6867990217922326
Energy: 1.7623363022405558
Energy: 1.670334710981587
Energy: 1.595223097046637
Energy: 1.6842031726058724
Energy: 1.6316365823136139
Energy: 1.6703347109830828
Energy: 1.5952230970461383
Energy: 1.6842031726123547
Energy: 1.649625350656488
Energy: 1.686599477193608
Energy: 1.7626196492949895
Energy: 1.758209244722953
Energy: 1.6496253506544933
Energy: 1.6865994771906163
Energy: 1.762619649295488
Energy: 1.7365075434112736
Energy: 1.6278857149915995
Energy: 1.6242845430937407
Energy: 1.6318825984341214
Energy: 1.736507543406287
Energy: 1.627885714993594
Energy: 1.627373673944402
Energy: 1.6495347192073055
Energy: 1.6782990710470185
Energy: 1.6933129508167102
Energy: 1.7234044316262327
Energy: 1.6495347192063081
Energy: 1.6782990710470185
Energy: 1.693312950812222
Energy: 1.8840923447679097
Energy: 1.6299523255174877
Energy: 1.6421685790366563
Energy: 1.6310955954985207
Energy: 1.884092344763422
Energy: 1.629952325519981
Energy: 1.6441134594815068
Energy: 1.6493083979525696
Energy: 1.6691508818287664
Energy: 1.7588747182241333
Energy: 1.669118069900806
Energy: 1.6493083979565588
Energy: 1.6691508818287664
Energy: 1.7588747182221385
Energy: 1.8841863829669314
Energy: 1.6295549597640266
Energy: 1.7149622895853767
Energy: 1.6299472371261163
Energy: 1.884186382970422
Energy: 1.6295549597610346
Energy: 1.7640335570215282
Energy: 1.649717875645092
Energy: 1.7234759632203784
Energy: 1.69346342875536
Energy: 1.678295365269813
Energy: 1.6497178756460895
Energy: 1.7234759632213759
Energy: 1.6934634287583519
Energy: 1.7366518839298863
Energy: 1.6319085136046731
Energy: 1.9582083179268615
Energy: 1.6275561383471984
Energy: 1.7366518839313823
Energy: 1.6319085136016815
Energy: 1.9582083179268615
Energy: 1.6495707962498212
Energy: 1.7582580787479631
Energy: 1.762724581617488
Energy: 1.6867202048452854
Energy: 1.6495707962493227
Energy: 1.7582580787489601
Energy: 1.7627245816209787
Energy: 1.6704661970151593
Energy: 1.632195305806007
Energy: 1.6867672302017622
Energy: 1.5951767941989796
Energy: 1.6704661970176526
Energy: 1.6321953058085004
Energy: 1.6867672302072472
Energy: 1.6503889134011804
Energy: 1.6866682283650511
Energy: 1.7624394575563478
Energy: 1.6870265904165203
Energy: 1.6503889134066652
Energy: 1.6866682283645524
Energy: 1.7624394575553506
Energy: 1.670385540960528
Energy: 1.7063495574915635
Energy: 1.757884042012305
Energy: 1.70655881568203
Energy: 1.6703855409580348
Energy: 1.7063495574865768
Energy: 1.757884042012305
Energy: 1.650432533617668
Energy: 1.6867990217867477
Energy: 1.7623363022405558
Energy: 1.6867608125119973
Energy: 1.6504325336151746
Energy: 1.6867990217922326
Energy: 1.762336302240057

minimum gb energy = 1.595176794198481 eV
minimum distance =  2.27946545020927 Angstroms
sigma value = 21


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

Energy: 1.712609792188774
Energy: 1.8377810917979394
Energy: 1.8185289804793174
Energy: 1.8378252170709244
Energy: 1.7126097921881687
Energy: 1.8377810917985442
Energy: 1.7287553938290317
Energy: 1.7241502457609417
Energy: 1.6895472542483794
Energy: 1.7881644482273225
Energy: 1.6893987835378406
Energy: 1.7241502457609417
Energy: 1.6895472542489844
Energy: 1.7881644482261116
Energy: 1.7131680218769187
Energy: 1.6879778082988586
Energy: 1.7901175814977441
Energy: 1.703595600083404
Energy: 1.7131680218757082
Energy: 1.6879778082988586
Energy: 1.7901175814995602
Energy: 1.6809816005136866
Energy: 1.6905257989019404
Energy: 1.807461976785591
Energy: 1.6704591514034774
Energy: 1.680981600513081
Energy: 1.6905257989025455
Energy: 1.8074619767843803
Energy: 1.6493895120463398
Energy: 1.7906960266532355
Energy: 1.6634726596307403
Energy: 1.6904510308215646
Energy: 1.6493895120463398
Energy: 1.7906960266538405
Energy: 1.6634726596307403
Energy: 1.6803613682552494
Energy: 1.692149165657893
Energy: 1.7378357849729216
Energy: 1.6786671961311042
Energy: 1.6803613682546439
Energy: 1.6921491656597087
Energy: 1.737835784972316
Energy: 1.758263404955642
Energy: 1.790023612645168
Energy: 1.6664850355353633
Energy: 1.6844209002481718
Energy: 1.7582634049550367
Energy: 1.7900236126445626
Energy: 1.6664850355377572
Energy: 1.6910733570380834
Energy: 1.7489063267843945
Energy: 1.8422233420162715
Energy: 1.6785077917218805
Energy: 1.6910733570374779
Energy: 1.748906326785605
Energy: 1.8422233420150607
Energy: 1.7585434572952527
Energy: 1.6783251527397731
Energy: 1.736532700693723
Energy: 1.7159282817955055
Energy: 1.7585434572982794
Energy: 1.6783251527403786
Energy: 1.7365327006931177
Energy: 1.6725928006250228
Energy: 1.6927250187458125
Energy: 1.655106711587238
Energy: 1.6791897688913848
Energy: 1.6725928006262338
Energy: 1.6927250187470233
Energy: 1.6551067115878435
Energy: 1.8137470980684731
Energy: 1.7634549213161803
Energy: 1.655128420820838
Energy: 1.7018912274397036
Energy: 1.8137470980672623
Energy: 1.7634549213173911
Energy: 1.6551284208220487
Energy: 1.5987014707710279
Energy: 1.7293759036392529
Energy: 1.670290118222454
Energy: 1.6763740048338773
Energy: 1.5987014707710279
Energy: 1.729375903641069
Energy: 1.6702901182230596
Energy: 1.8140158065436365
Energy: 1.6799521843162535
Energy: 1.702240634466197
Energy: 1.706337942361973
Energy: 1.8140158065436365
Energy: 1.6799521843168588
Energy: 1.6733553633813696
Energy: 1.5985367381830953
Energy: 1.729028468572749
Energy: 1.7163867310584768
Energy: 1.654349595882588
Energy: 1.5985367381830953
Energy: 1.7290284685697224
Energy: 1.716386731059082
Energy: 1.7912402894736357
Energy: 1.6204165215035304
Energy: 1.6561303187119265
Energy: 1.6690472033943313
Energy: 1.7912402894730302
Energy: 1.6204165215065571
Energy: 1.656130318711321
Energy: 1.590856298461435
Energy: 1.7631845968153328
Energy: 1.6511986832758325
Energy: 1.6573563686595867
Energy: 1.5908562984632508
Energy: 1.763184596813517
Energy: 1.6511986832752275
Energy: 1.7923303089441947
Energy: 1.620244215747049
Energy: 1.6509279918081612
Energy: 1.6690058146324427
Energy: 1.792330308942984
Energy: 1.620244215747049
Energy: 1.650927991807556
Energy: 1.5906859013956434
Energy: 1.6997195993981884
Energy: 1.6601492286130024
Energy: 1.7543743559555223
Energy: 1.5906859013962489
Energy: 1.699719599396978
Energy: 1.6601492286130024
Energy: 1.7126754897495762
Energy: 1.620509183752179
Energy: 1.7276277319021476
Energy: 1.66902511069046
Energy: 1.7126754897495762
Energy: 1.620509183752179
Energy: 1.7276277318858313
Energy: 1.5901847879537945
Energy: 1.7463779554018293
Energy: 1.6340180806590419
Energy: 1.7461919638999885
Energy: 1.5901847879519786
Energy: 1.7463779554018293
Energy: 1.6340180806602524
Energy: 1.7124984075593561
Energy: 1.6690147737830447
Energy: 1.7273344301676417
Energy: 1.620460846144575
Energy: 1.7124984075599614
Energy: 1.669014773781834
Energy: 1.7273344301670364
Energy: 1.590653228069431
Energy: 1.7532374663970027
Energy: 1.659815531952866
Energy: 1.699599031420166
Energy: 1.5906532280700365
Energy: 1.7532374663963972
Energy: 1.6598155319558925
Energy: 1.7926496574384365
Energy: 1.66910184699241
Energy: 1.6509494323545297
Energy: 1.6204764215398761
Energy: 1.7926496574390418
Energy: 1.6691018469918046
Energy: 1.6509494323551348
Energy: 1.5910210252032715
Energy: 1.6571600971951572
Energy: 1.6513207327994897
Energy: 1.7633050095797493
Energy: 1.591021025205693
Energy: 1.6571600971957627
Energy: 1.6513207327994897
Energy: 1.791401733421308
Energy: 1.669073485148206
Energy: 1.6790304669214797
Energy: 1.6204954836244805
Energy: 1.7914017334219134
Energy: 1.6690734851476006
Energy: 1.679030466806522

minimum gb energy = 1.5901847879519786 eV
minimum distance =  2.2531233695036 Angstroms
sigma value = 113


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

Energy: 1.7123991562900032
Energy: 1.8228176697152145
Energy: 1.8008288335650446
Energy: 1.8229530387368624
Energy: 1.712399156286625
Energy: 1.8228176697185927
Energy: 1.8008288335684228
Energy: 1.8222147201405663
Energy: 1.7405238445102307
Energy: 1.8151622964945737
Energy: 1.7313225896991788
Energy: 1.8222147201473229
Energy: 1.7405238445068523
Energy: 1.815162296497952
Energy: 1.7059280209439025
Energy: 1.718111373351894
Energy: 1.786713583120378
Energy: 1.7346513806606332
Energy: 1.7059280209439025
Energy: 1.718111373351894
Energy: 1.786713583120378
Energy: 1.636277032168272
Energy: 1.7910538184104539
Energy: 1.8973022594142397
Energy: 1.7367558751939467
Energy: 1.6362770321615152
Energy: 1.7910538184070754
Energy: 1.8973022594142397
Energy: 1.751862967651794
Energy: 1.6712481167776423
Energy: 1.6948954811320158
Energy: 1.6585362143575726
Energy: 1.7518629676551725
Energy: 1.6712481167742639
Energy: 1.6948954811387726
Energy: 1.6357897967199537
Energy: 1.751644584149761
Energy: 1.8176334948667972
Energy: 1.668115983598569
Energy: 1.6357897967233321
Energy: 1.7516445841531394
Energy: 1.817633494873554
Energy: 1.653159763446074
Energy: 1.6635391874990162
Energy: 1.7032202417138924
Energy: 1.6729977536210383
Energy: 1.6531597634426956
Energy: 1.6635391875057728
Energy: 1.7032202417138924
Energy: 1.6522743816643297
Energy: 1.7532953260491733
Energy: 1.817985955807497
Energy: 1.6535197334586285
Energy: 1.6522743816710868
Energy: 1.7532953260457949
Energy: 1.817985955807497
Energy: 1.6526691239515103
Energy: 1.7012831227581204
Energy: 1.7848873142141741
Energy: 1.6421070418046624
Energy: 1.6526691239515103
Energy: 1.701283122754742
Energy: 1.7848873142141741
Energy: 1.671536614481478
Energy: 1.7530451335021322
Energy: 1.7143203376007996
Energy: 1.6804955025548283
Energy: 1.671536614481478
Energy: 1.7530451334953756
Energy: 1.7143203376007996
Energy: 1.652759458144583
Energy: 1.7383785063062722
Energy: 1.8253596289182246
Energy: 1.6349408601933688
Energy: 1.652759458144583
Energy: 1.738378506302894
Energy: 1.8616941783361225
Energy: 1.6353577296494415
Energy: 1.6951498551565953
Energy: 1.8755379583882237
Energy: 1.708462660640305
Energy: 1.6353577296460633
Energy: 1.6951498551565953
Energy: 1.8755379583882237
Energy: 1.7194170990039646
Energy: 1.7299516080971122
Energy: 1.8123580265707224
Energy: 1.7138416804472987
Energy: 1.7194170990005861
Energy: 1.7299516080937338
Energy: 1.8621621460587428
Energy: 1.738991641119618
Energy: 1.825183433687591
Energy: 1.8767628155281968
Energy: 1.7689839179604452
Energy: 1.7389916411331314
Energy: 1.825183433687591
Energy: 1.8767628155248186
Energy: 1.718493083790376
Energy: 1.7866206814095018
Energy: 1.920432663835511
Energy: 1.7919166241652782
Energy: 1.7184930837971328
Energy: 1.7866206814095018
Energy: 1.9204326638490241
Energy: 1.7389839667530302
Energy: 1.6959271200726806
Energy: 1.82415391132877
Energy: 1.7086510850925314
Energy: 1.7389839667530302
Energy: 1.6959271200693022
Energy: 1.8241539113321483
Energy: 1.8093539499406033
Energy: 1.720702903423826
Energy: 1.9294543572771308
Energy: 1.7136110207189985
Energy: 1.8093539499439817
Energy: 1.720702903423826
Energy: 1.9294543572838259
Energy: 1.6743226443469563
Energy: 1.6932011298195775
Energy: 1.8257121120324638
Energy: 1.7083121345770629
Energy: 1.6743226443469563
Energy: 1.693201129816199
Energy: 1.8257121120290856
Energy: 1.8097045423248204
Energy: 1.7429780476231482
Energy: 1.8320721645401268
Energy: 1.765673142221935
Energy: 1.8097045423214422
Energy: 1.7429780476231482
Energy: 1.8320721645367484
Energy: 1.642161620298072
Energy: 1.7106319911939891
Energy: 1.7278570097957555
Energy: 1.6358783076243149
Energy: 1.642161620298072
Energy: 1.7106319911939891
Energy: 1.727857009799134
Energy: 1.663174712008841
Energy: 1.6645995029057616
Energy: 1.804000279320728
Energy: 1.7893550317925193
Energy: 1.6631747120122191
Energy: 1.6645995029023832
Energy: 1.8040002793173497
Energy: 1.6424907898864687
Energy: 1.6969505441466237
Energy: 1.7395741988807945
Energy: 1.6658736483745125
Energy: 1.6424907898932255
Energy: 1.6969505441466237
Energy: 1.7395741988774163
Energy: 1.6634476610564106
Energy: 1.6416366316800435
Energy: 1.7880140490241667
Energy: 1.8159824476593571
Energy: 1.6634476610597888
Energy: 1.6416366316868
Energy: 1.7880140490275451
Energy: 1.6911644710649025
Energy: 1.6930552729527188
Energy: 1.7200812252334527
Energy: 1.6571890501797368
Energy: 1.6911644710615243
Energy: 1.6930552729527188
Energy: 1.720081225236831
Energy: 1.647490894302787
Energy: 1.7295949989149813
Energy: 1.7734034973941457
Energy: 1.8901317289707396
Energy: 1.6474908942960305
Energy: 1.7295949989149813
Energy: 1.773403497397524
Energy: 1.6770204940966784
Energy: 1.7778653434657175
Energy: 1.8004102487860743
Energy: 1.7395681859977155
Energy: 1.6770204940933002
Energy: 1.7778653434623393
Energy: 1.8004102487826958
Energy: 1.7942350182143616
Energy: 1.7330071618011789
Energy: 1.6915313313817217
Energy: 1.8286215894969766
Energy: 1.794235018207605
Energy: 1.7330071617944833
Energy: 1.6915313313851001
Energy: 1.6752527941465558
Energy: 1.8087818724424476
Energy: 1.795188013158094
Energy: 1.816221194755669
Energy: 1.6752527941465558
Energy: 1.8087818724492042
Energy: 1.7951880131547158
Energy: 1.7512504351113252
Energy: 1.7183094710455973
Energy: 1.734502689033191
Energy: 1.8284821363040427
Energy: 1.7512504351147036
Energy: 1.7183094710388407
Energy: 1.7345026890365691
Energy: 1.684047386822494
Energy: 1.7691542681037584
Energy: 1.7869459845547873
Energy: 1.8000702921195153
Energy: 1.684047386822494
Energy: 1.7691542681037584
Energy: 1.7869459845581657
Energy: 1.655425948808176
Energy: 1.717963502210634
Energy: 1.8362083655961983
Energy: 1.8279333563490514
Energy: 1.6554259488047975
Energy: 1.7179635022140123
Energy: 1.8362083655995765
Energy: 1.6831974913283005
Energy: 1.654968835168361
Energy: 1.7212559761067883
Energy: 1.7116318116547067
Energy: 1.6831974913283005
Energy: 1.654968835171739
Energy: 1.7212559761000317
Energy: 1.6535272168360249
Energy: 1.6734062952908053
Energy: 1.8204912224459517
Energy: 1.765606413126843
Energy: 1.6535272168326467
Energy: 1.673406295297562
Energy: 1.8204912224391951
Energy: 1.6547894623882005
Energy: 1.6550037276814338
Energy: 1.6791381598559953
Energy: 1.6505913323932837
Energy: 1.6547894623815051
Energy: 1.6550037276881906
Energy: 1.679138159852617
Energy: 1.6558266665449402
Energy: 1.641449781349837
Energy: 1.8097478399159255
Energy: 1.7415389684407139
Energy: 1.6558266665449402
Energy: 1.6414497813464588
Energy: 1.8097478399091689
Energy: 1.65474031075106
Energy: 1.6503564067447296
Energy: 1.6802565394491247
Energy: 1.624895833969854
Energy: 1.65474031075106
Energy: 1.6503564067447296
Energy: 1.680256539452503
Energy: 1.6528588669903184
Energy: 1.6412716946394326
Energy: 1.79804299451984
Energy: 1.7456689293932215
Energy: 1.65285886698694
Energy: 1.641271694642811
Energy: 1.7980429945130834
Energy: 1.6251392243518157
Energy: 1.6547431685339478
Energy: 1.7697178744197846
Energy: 1.6251835047331349
Energy: 1.625139224355194
Energy: 1.6547431685339478
Energy: 1.7697178744197846
Energy: 1.656186373634644
Energy: 1.718828687801109
Energy: 1.9417473499794569
Energy: 1.749973596339377
Energy: 1.6561863736312659
Energy: 1.7188286877977308
Energy: 1.9417473499794569
Energy: 1.6432046932531288
Energy: 1.7377778805879764
Energy: 1.776095316823761
Energy: 1.699842121681776
Energy: 1.6432046932531288
Energy: 1.7377778805812196
Energy: 1.776095316833896
Energy: 1.7991567306493115
Energy: 1.7165340305954897
Energy: 1.9416253914856527
Energy: 1.7511719945809447
Energy: 1.7991567306493115
Energy: 1.7165340305954897
Energy: 1.9416253914856527
Energy: 1.6444337756526743
Energy: 1.712280098264876
Energy: 1.8804677162292232
Energy: 1.8132410707454836
Energy: 1.6444337756560528
Energy: 1.7122800982614976
Energy: 1.8804677162292232
Energy: 1.6973308237316371
Energy: 1.7169608421084734
Energy: 1.8387053509835536
Energy: 1.7479072754964264
Energy: 1.6973308237248803
Energy: 1.7169608421017168
Energy: 1.8387053509835536
Energy: 1.7126651838875406
Energy: 1.7394588464603995
Energy: 1.9040716451595245
Energy: 1.6288040087472915
Energy: 1.712665183890919
Energy: 1.739458846446886
Energy: 1.9040716451493895
Energy: 1.672950859891495
Energy: 1.71653624048202
Energy: 1.794581762965642
Energy: 1.7437562769176116
Energy: 1.672950859891495
Energy: 1.716536240471885
Energy: 1.7945817629555068

minimum gb energy = 1.624895833969854 eV
minimum distance =  2.20340397985969 Angstroms
sigma value = 365


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

Energy: 1.7587002613973306
Energy: 1.3705936780075827
Energy: 1.800070400548029
Energy: 1.3705936780083443
Energy: 1.7587002613973306
Energy: 1.3705936780075827
Energy: 1.7287125835656925
Energy: 1.7587002613980924
Energy: 1.3705936780083443
Energy: 1.7472523002142384
Energy: 1.3705936780068209
Energy: 1.758700261398854
Energy: 1.3705936780075827
Energy: 1.6312223868675464
Energy: 1.758700261398854
Energy: 1.3705936780083443
Energy: 1.8462802978756312
Energy: 1.3705936780083443
Energy: 1.758700261398854
Energy: 1.3705936780098678
Energy: 1.6312223868995026
Energy: 1.7587002613980924
Energy: 1.3705936780098678
Energy: 1.6888819971020115
Energy: 1.370593678009106
Energy: 1.7587002613980924
Energy: 1.370593678009106
Energy: 1.800192244899463
Energy: 1.7587002613980924
Energy: 1.3705936780068209
Energy: 1.6894950686792825
Energy: 1.3705936780075827
Energy: 1.7587002613980924
Energy: 1.3705936780075827
Energy: 1.5532363951641042
Energy: 1.7587002613980924
Energy: 1.3705936780068209
Energy: 1.6925204112855254
Energy: 1.3705936780083443
Energy: 1.7587002613980924
Energy: 1.370593678009106
Energy: 1.4341303168938218
Energy: 1.7587002613980924
Energy: 1.370593678009106
Energy: 1.8001922448766468
Energy: 1.3705936780083443
Energy: 1.7587002613980924
Energy: 1.3705936780068209
Energy: 1.7278538869875715
Energy: 1.7587002613980924
Energy: 1.370593678009106
Energy: 1.6312223865241617
Energy: 1.370593678009106
Energy: 1.7587002613980924
Energy: 1.3705936780075827
Energy: 1.6312223864054072
Energy: 1.758700261398854
Energy: 1.3705936780083443
Energy: 1.349208336082876
Energy: 1.3705936780083443
Energy: 1.758700261398854
Energy: 1.3705936780098678
Energy: 1.63122238631023
Energy: 1.7587002613980924
Energy: 1.370593678009106
Energy: 1.728712582186096
Energy: 1.370593678009106
Energy: 1.7587002613980924
Energy: 1.370593678009106
Energy: 1.728712582125195
Energy: 1.7587002613980924
Energy: 1.3705936780075827
Energy: 1.409451606266185
Energy: 1.370593678009106
Energy: 1.7587002613980924
Energy: 1.3705936780083443
Energy: 1.6312223862264787
Energy: 1.7587002613980924
Energy: 1.370593678009106
Energy: 1.3492083280231735
Energy: 1.3705936780083443
Energy: 1.7587002613980924
Energy: 1.370593678009106
Energy: 1.3492083265157162
Energy: 1.7587002613980924
Energy: 1.370593678009106
Energy: 1.3492083261837573
Energy: 1.3705936780106296
Energy: 1.7587002613973306
Energy: 1.370593678009106
Energy: 1.349208324474521
Energy: 1.7587002613973306
Energy: 1.3705936780083443
Energy: 1.3492083240511936
Energy: 1.3705936780083443
Energy: 1.7587002613980924
Energy: 1.3705936780083443
Energy: 1.3492083229464635
Energy: 1.758700261398854
Energy: 1.3705936780083443
Energy: 1.3492083175796876
Energy: 1.3705936780083443
Energy: 1.758700261398854
Energy: 1.370593678009106
Energy: 1.349208316953854
Energy: 1.7587002613980924
Energy: 1.3705936780106296
Energy: 1.3492083189029191
Energy: 1.370593678009106
Energy: 1.7587002613980924
Energy: 1.3705936780098678
Energy: 1.3492083166752133
Energy: 1.758700261398854
Energy: 1.3705936780075827
Energy: 1.3492083151228165
Energy: 1.3705936780083443
Energy: 1.7587002613980924
Energy: 1.370593678009106
Energy: 1.349208314499268
Energy: 1.7587002613980924
Energy: 1.3705936780083443
Energy: 1.3492083096425829
Energy: 1.370593678009106
Energy: 1.7587002613980924
Energy: 1.370593678009106
Energy: 1.349208308365018
Energy: 1.7587002613973306
Energy: 1.370593678009106
Energy: 1.349208310336934
Energy: 1.3705936780098678
Energy: 1.7587002613980924
Energy: 1.3705936780083443
Energy: 1.3492083098184644
Energy: 1.7587002613980924
Energy: 1.3705936780060592
Energy: 1.3492083062629219
Energy: 1.3705936780083443
Energy: 1.7587002613980924
Energy: 1.370593678009106
Energy: 1.3492083063946598

minimum gb energy = 1.3492083062629219 eV
minimum distance =  2.37300980156819 Angstroms
sigma value = 23