Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_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=4.044650807976723
cohesive_energy=3.360264253215876
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: 0.012707191403309512
Energy: 0.2842370035734531
Energy: 0.8559667424159466
Energy: 0.2842264407136613
Energy: 0.012707191402900416
Energy: 0.2842370035734531
Energy: 0.8559667424153555
Energy: 0.3973251767779563
Energy: 0.013137292467580717
Energy: 0.11423822044727419
Energy: 0.013157910822546267
Energy: 0.3973251767779563
Energy: 0.013137292468580732
Energy: 0.11423822044706965
Energy: 0.012707191403309512
Energy: 0.28423700357365767
Energy: 0.21544100323621954
Energy: 0.2842264407136613
Energy: 0.012707191403104962
Energy: 0.28423700357365767
Energy: 0.4940903648693835
Energy: 0.3973251767779563
Energy: 0.013137292467785265
Energy: 0.11423822044727419
Energy: 0.013157910822546267
Energy: 0.3973251767779563
Energy: 0.013137292468171635
Energy: 0.11423822044686509
Energy: 0.012707191403309512
Energy: 0.28423700357365767
Energy: 0.49480453285482295
Energy: 0.2842264407136613
Energy: 0.012707191402900416
Energy: 0.28423700357365767
Energy: 0.21804291315378888
Energy: 0.39732517677813817
Energy: 0.013137292467580717
Energy: 0.11423822044706965
Energy: 0.013157910822750817
Energy: 0.3973251767779563
Energy: 0.013137292468376183
Energy: 0.11423822044686509

minimum gb energy = 0.012707191402900416 eV
minimum distance =  2.83320693466181 Angstroms
sigma value = 5


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

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Energy: 0.6868266609514305
Energy: 0.734623242646105
Energy: 0.686183937661293
Energy: 0.6661320822564906
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Energy: 0.7329402998853732
Energy: 0.6417099896180042
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Energy: 0.6726637707771675
Energy: 0.6343629048653511
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Energy: 0.6289237454410181
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Energy: 0.7171906240740523
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Energy: 0.7171030906388218
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Energy: 0.721821477095962
Energy: 0.6289927305509756
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Energy: 0.7218214770935187
Energy: 0.6903470361487585
Energy: 0.6378057818326965
Energy: 0.6855654132771875
Energy: 0.6543247829460266
Energy: 0.6903470361487585
Energy: 0.6378057818375834
Energy: 0.6855654132723006
Energy: 0.6418518094595437
Energy: 0.6502646715021003
Energy: 0.6983921336428035
Energy: 0.6574349083092651
Energy: 0.6418518094571003
Energy: 0.6502646715069872
Energy: 0.6983921336330298
Energy: 0.6246940560574763
Energy: 0.6430342219306204
Energy: 0.6979010489753628
Energy: 0.6354728849179849
Energy: 0.6246940560574763
Energy: 0.6430342219306204
Energy: 0.6979010489729194
Energy: 0.6212364160649537
Energy: 0.6566991302099604
Energy: 0.6812463178438333
Energy: 0.672705119773417
Energy: 0.6212364160673972
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Energy: 0.6558839207591053
Energy: 0.6625617059697836
Energy: 0.6205721329150857
Energy: 0.6194021440163767
Energy: 0.6558839207591053
Energy: 0.662561705972227

minimum gb energy = 0.6168830647813864 eV
minimum distance =  2.53400080988661 Angstroms
sigma value = 401


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

Energy: 0.6525001605099747
Energy: 0.651624672953043
Energy: 0.7134342310132556
Energy: 0.6536678123804659
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Energy: 0.6510690479258706
Energy: 0.6478897610285036
Energy: 0.6534466075294407
Energy: 0.6449681289356929
Energy: 0.6510690479256184
Energy: 0.6478897610290585
Energy: 0.6534466075288862
Energy: 0.6342648409553462
Energy: 0.6338179659418978
Energy: 0.7066189795371347
Energy: 0.6367548200448984
Energy: 0.634264840954489
Energy: 0.6338179659424524
Energy: 0.7066189795396561
Energy: 0.6413902361630911
Energy: 0.6646574729420499
Energy: 0.6856890101123967
Energy: 0.6351268437483789
Energy: 0.6413902361627886
Energy: 0.6646574729409405
Energy: 0.6856890101118418
Energy: 0.6428898858658446
Energy: 0.6608123046780955
Energy: 0.6428443232181087
Energy: 0.6352049573388695
Energy: 0.6428898858658446
Energy: 0.6608123046775406
Energy: 0.6428443231781698
Energy: 0.6410826538562485
Energy: 0.6341416562874158
Energy: 0.6419803400677606
Energy: 0.6378653984631634
Energy: 0.6410826538565007
Energy: 0.6341416562860543
Energy: 0.6419803400699794
Energy: 0.6288843624433609
Energy: 0.6345119574038471
Energy: 0.6448397004747076
Energy: 0.6361683278699064
Energy: 0.6288843624413942
Energy: 0.6345119574063182
Energy: 0.6448397004752623
Energy: 0.6213470762410547
Energy: 0.6516246729541525
Energy: 0.688220486236857
Energy: 0.653667812380718
Energy: 0.6213470762405001
Energy: 0.651624672956926
Energy: 0.688220486237664
Energy: 0.6314467354857859
Energy: 0.6255300134816391
Energy: 0.6479463199015296
Energy: 0.6509144446017584
Energy: 0.6314467354846763
Energy: 0.6255300134847153
Energy: 0.6479463199018322

minimum gb energy = 0.6213470762401975 eV
minimum distance =  2.54777264722357 Angstroms
sigma value = 311


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

Energy: 0.668478404589129
Energy: 0.6545634629275073
Energy: 0.7451189047255512
Energy: 0.6546813082181961
Energy: 0.6684784045881683
Energy: 0.6545634629265465
Energy: 0.7451189047255512
Energy: 0.679331793961199
Energy: 0.6405581573043002
Energy: 0.6665438066844709
Energy: 0.656121527103848
Energy: 0.6793317939608787
Energy: 0.640558157305261
Energy: 0.6665438066844709
Energy: 0.6489442488418485
Energy: 0.6656249347026941
Energy: 0.6907174869796758
Energy: 0.6379500205708694
Energy: 0.6489442488415282
Energy: 0.6656249347017333
Energy: 0.690717486979996
Energy: 0.6448780612268445
Energy: 0.6491648435384568
Energy: 0.6865808641467039
Energy: 0.6320416821991925
Energy: 0.6448780612268445
Energy: 0.6491648435374962
Energy: 0.6865808641473444
Energy: 0.6573305594165524
Energy: 0.6520172774108292
Energy: 0.685902873479173
Energy: 0.6569616026740204
Energy: 0.6573305594155917
Energy: 0.6520172774108292
Energy: 0.6851383274609578
Energy: 0.6622324382944608
Energy: 0.6326306142943537
Energy: 0.6666793790915436
Energy: 0.6377618839600612
Energy: 0.6622324382947812
Energy: 0.6326306142943537
Energy: 0.6666793790912233
Energy: 0.6707267881385414
Energy: 0.6947131451326956
Energy: 0.664596374118789
Energy: 0.6508141576564528
Energy: 0.6707267881382211
Energy: 0.6947131451330159
Energy: 0.6645963741184687
Energy: 0.660661351021514
Energy: 0.6380053073363837
Energy: 0.6871844714514823
Energy: 0.6406734454680638
Energy: 0.6606613510211938
Energy: 0.6380053073363837
Energy: 0.6871844714514823
Energy: 0.6447714798546786
Energy: 0.6366234448324465
Energy: 0.6891355286005123
Energy: 0.6375336978262788
Energy: 0.6447714798546786
Energy: 0.6366234448327668
Energy: 0.6891355286008326
Energy: 0.6639758682485077
Energy: 0.675615522416106
Energy: 0.6952601947311914
Energy: 0.6967403815332744
Energy: 0.6639758682481874
Energy: 0.675615522416106
Energy: 0.6952601947308711
Energy: 0.6790015768753358
Energy: 0.652634332084393
Energy: 0.7194232306404863
Energy: 0.6485941217222972
Energy: 0.6790015768740548
Energy: 0.6526343320853538
Energy: 0.7194232306398457
Energy: 0.6577784649487162
Energy: 0.6822165389271894
Energy: 0.6928462542020668
Energy: 0.6618669852953679
Energy: 0.6577784649487162
Energy: 0.6822165389262286
Energy: 0.6928462542014262
Energy: 0.6560691591428162
Energy: 0.6459620523000068
Energy: 0.697192530742758
Energy: 0.6507813898798694
Energy: 0.6560691591428162
Energy: 0.6459620523000068
Energy: 0.6971925307424377
Energy: 0.6404248080504752
Energy: 0.6644111918895834
Energy: 0.6737245185839275
Energy: 0.6582897173438904
Energy: 0.6404248080495145
Energy: 0.6644111918892632
Energy: 0.6737245185839275
Energy: 0.6624563333156271
Energy: 0.6457467031343942
Energy: 0.6794248195499271
Energy: 0.6327212503222603
Energy: 0.6624563333159473
Energy: 0.6457467031347146
Energy: 0.6794248195496069
Energy: 0.6694160163197456
Energy: 0.6617524682733269
Energy: 0.6941416165132026
Energy: 0.6838527500453446
Energy: 0.6694160163200659
Energy: 0.6617524682730065
Energy: 0.6941416165135229
Energy: 0.6876281510813841
Energy: 0.6400707226520741
Energy: 0.7147295171999908
Energy: 0.6405950492801026
Energy: 0.6876281510810639
Energy: 0.6400707226514336
Energy: 0.7147295171993502
Energy: 0.672787885930164
Energy: 0.6968386295458697
Energy: 0.6934033479796802
Energy: 0.6637219004377516
Energy: 0.6727878859298437
Energy: 0.6968386295452291
Energy: 0.6934033479796802
Energy: 0.6454118451449934
Energy: 0.6378083324462172
Energy: 0.68630749422368
Energy: 0.6292825115944615
Energy: 0.6454118451443529
Energy: 0.6378083324471779
Energy: 0.6863074942243205
Energy: 0.6589063932128436
Energy: 0.647192642180827
Energy: 0.6869877506570015
Energy: 0.6379532394540662
Energy: 0.6589063932125233
Energy: 0.6471926421814674
Energy: 0.686987750656681
Energy: 0.6613454113151435
Energy: 0.6642223188820761
Energy: 0.6949328767559811
Energy: 0.6947077914213184
Energy: 0.661345411314503
Energy: 0.6642223188823964
Energy: 0.6949328767559811
Energy: 0.6607432335648916
Energy: 0.6298434160363443
Energy: 0.6661202078075787
Energy: 0.6410443437177125
Energy: 0.6607432335648916
Energy: 0.6298434160366645
Energy: 0.6661202078085395
Energy: 0.6734243631994874
Energy: 0.6568338749855435
Energy: 0.6837078320699654
Energy: 0.651743856124099
Energy: 0.6734243631988469
Energy: 0.6568338749861841
Energy: 0.6837078320725275
Energy: 0.6554221086045706
Energy: 0.631958314880343
Energy: 0.6889328737586357
Energy: 0.6492149249686824
Energy: 0.6554221086048909
Energy: 0.6319583148806633
Energy: 0.6889328737583155
Energy: 0.6509190765789336
Energy: 0.6579296135963061
Energy: 0.6789659245539234
Energy: 0.6634033652644689
Energy: 0.6509190765786134
Energy: 0.657929613595025
Energy: 0.6789659245545637
Energy: 0.6791433819102499
Energy: 0.6581904919150107
Energy: 0.6677904094451603
Energy: 0.6404949551981656
Energy: 0.6791433819099296
Energy: 0.6581904919146904
Energy: 0.6677904094458009
Energy: 0.6603620809172277
Energy: 0.6568089784589454
Energy: 0.7286732092169931
Energy: 0.652124664125996
Energy: 0.6603620809169075
Energy: 0.6568089784589454
Energy: 0.7161873320771651
Energy: 0.6888743826774368
Energy: 0.6406430349447712
Energy: 0.6799048373901612
Energy: 0.6528575634212141
Energy: 0.6888743826771165
Energy: 0.6406430349441307
Energy: 0.6799048373901612
Energy: 0.652363815094653
Energy: 0.6633243695274005
Energy: 0.6963711644830544
Energy: 0.655192735279153
Energy: 0.652363815094653
Energy: 0.6633243695274005
Energy: 0.6963711644824139
Energy: 0.6454691262740093
Energy: 0.6427212692345002
Energy: 0.6865696151947966
Energy: 0.6319942873725879
Energy: 0.6454691262743295
Energy: 0.6427212692335393
Energy: 0.6865696151941562
Energy: 0.6538258856205069
Energy: 0.6522357044508944
Energy: 0.6940222395607605
Energy: 0.6643348238574724
Energy: 0.6538258856208272
Energy: 0.6522357044508944
Energy: 0.6940222390248763
Energy: 0.6608064728086473
Energy: 0.6471556370367222
Energy: 0.6660433696277365
Energy: 0.626640492529308
Energy: 0.6608064728076866
Energy: 0.6471556370373627
Energy: 0.6660433696274163
Energy: 0.6613073700535462
Energy: 0.6889084293062709
Energy: 0.6563254335311794
Energy: 0.6646640499919733
Energy: 0.6613073700541869
Energy: 0.6889084293056303
Energy: 0.6563254335311794
Energy: 0.6589020471669348
Energy: 0.6383403206717151
Energy: 0.6866742495335807
Energy: 0.6382519650186872
Energy: 0.6589020471669348
Energy: 0.6383403206723556
Energy: 0.6866742495345415
Energy: 0.6563974445265451
Energy: 0.6291167905959736
Energy: 0.6886731334861921
Energy: 0.6371747669301443
Energy: 0.6563974445275059
Energy: 0.6291167905969344
Energy: 0.6886731334868327
Energy: 0.663391003986032
Energy: 0.6702159877540579
Energy: 0.696698076154887
Energy: 0.6967426958248504
Energy: 0.6633910039853913
Energy: 0.6702159877546984
Energy: 0.696698076154887

minimum gb energy = 0.626640492529308 eV
minimum distance =  2.54351534673401 Angstroms
sigma value = 39


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

Energy: 0.6592678310510267
Energy: 0.6794137841571147
Energy: 0.6703034613181171
Energy: 0.679420186424445
Energy: 0.6592678310525385
Energy: 0.6794137841582486
Energy: 0.6839596719369158
Energy: 0.6555436128008635
Energy: 0.6616794903796879
Energy: 0.6217633066162599
Energy: 0.6622339435527483
Energy: 0.6555436128016193
Energy: 0.661679490378932
Energy: 0.6217633066181497
Energy: 0.6592996212717254
Energy: 0.6247393935340977
Energy: 0.6587212577899084
Energy: 0.6406505827700126
Energy: 0.6592996212705914
Energy: 0.624739393530696
Energy: 0.6587212577914204
Energy: 0.651339533564958
Energy: 0.6616770211737414
Energy: 0.6225254912597721
Energy: 0.6832889200207064
Energy: 0.6513395335623121
Energy: 0.6616770211771432
Energy: 0.622525491260528
Energy: 0.6686324057046156
Energy: 0.6390952301406917
Energy: 0.6629959509099281
Energy: 0.6406580194094282
Energy: 0.6686324057049935
Energy: 0.6390952301406917
Energy: 0.6629959509099281
Energy: 0.6472267767680089
Energy: 0.6385936388102343
Energy: 0.6613470705633699
Energy: 0.6695809788294236
Energy: 0.6472267767687647
Energy: 0.6385936388094784
Energy: 0.6613470705618582
Energy: 0.7148845245207127
Energy: 0.6398381325467999
Energy: 0.671914532145931
Energy: 0.6401716303485563
Energy: 0.7148845245214687
Energy: 0.6398381325471779
Energy: 0.6719145321466868
Energy: 0.647597933535213
Energy: 0.6641411617562114
Energy: 0.6823231619734604
Energy: 0.6641278417616803
Energy: 0.647597933535213
Energy: 0.6641411617562114
Energy: 0.6823231619738384
Energy: 0.7148935803558194
Energy: 0.6402361640777252
Energy: 0.6681031659668442
Energy: 0.6398249681543186
Energy: 0.7148935803561973
Energy: 0.6402361640807489
Energy: 0.6681031659672222
Energy: 0.6472138483323394
Energy: 0.6696287811860321
Energy: 0.6613824287584837
Energy: 0.6385887842942716
Energy: 0.6472138483304496
Energy: 0.6696287811860321
Energy: 0.6613824287573498
Energy: 0.668484269778909
Energy: 0.6406603795204175
Energy: 0.6661666364797101
Energy: 0.6391388795715598
Energy: 0.6684842697804209
Energy: 0.6406603795215514
Energy: 0.6661688300490266
Energy: 0.6513224957728504
Energy: 0.6834943321688483
Energy: 0.6226308935440015
Energy: 0.6616859730391657
Energy: 0.6513224957717166
Energy: 0.6834943321714939
Energy: 0.6226308935443795
Energy: 0.6593348717243964
Energy: 0.640696534403103
Energy: 0.6627204276962634
Energy: 0.6247954309567342
Energy: 0.6593348717225065
Energy: 0.6406965344023472
Energy: 0.6627204276981532
Energy: 0.6555980135453856
Energy: 0.6622627154919303
Energy: 0.6217604597640507
Energy: 0.6615763123819592
Energy: 0.6555980135442516
Energy: 0.6622627154938201
Energy: 0.6217604597632947
Energy: 0.6592678310506487
Energy: 0.6794137841571147
Energy: 0.671265148399109
Energy: 0.6794201864236891
Energy: 0.6592678310514046
Energy: 0.6794137841582486
Energy: 0.6712651483968411
Energy: 0.6555436128008635
Energy: 0.661679490377798
Energy: 0.6217633066155039
Energy: 0.6622339435519923
Energy: 0.6555436128012415
Energy: 0.661679490378932
Energy: 0.6217633066177718
Energy: 0.6592996212709693
Energy: 0.6247393935344757
Energy: 0.6587212577895306
Energy: 0.6406505827696346
Energy: 0.6592996212705914
Energy: 0.6247393935314519
Energy: 0.6587212577906644
Energy: 0.651339533564202
Energy: 0.6616770211733636
Energy: 0.622525491260528
Energy: 0.6832889200203285
Energy: 0.6513395335611782
Energy: 0.6616770211771432
Energy: 0.622525491261284
Energy: 0.6686324057038595
Energy: 0.6390952301410697
Energy: 0.6587818107171818
Energy: 0.6406580194094282
Energy: 0.6686324057049935
Energy: 0.6390952301410697
Energy: 0.6587818107156699
Energy: 0.6472267767676309
Energy: 0.6385936388102343
Energy: 0.661347070562992
Energy: 0.6695809788290457
Energy: 0.6472267767687647
Energy: 0.6385936388102343
Energy: 0.6613470705611021
Energy: 0.7148845245210907
Energy: 0.6398381325467999
Energy: 0.6407815598177243
Energy: 0.6401716303489343
Energy: 0.7148845245214687
Energy: 0.6398381325471779
Energy: 0.6407815598173464
Energy: 0.647597933534457
Energy: 0.6641411617565893
Energy: 0.6823231619734604
Energy: 0.6641278417609244
Energy: 0.6475979335340791
Energy: 0.6641411617562114
Energy: 0.6823231619730825
Energy: 0.7148935803558194
Energy: 0.6402361640781031
Energy: 0.6438714781460876
Energy: 0.6398249681546966
Energy: 0.7148935803561973
Energy: 0.6402361640807489
Energy: 0.6438714781460876
Energy: 0.6472138483327173
Energy: 0.6696287811864101
Energy: 0.6613824287573498
Energy: 0.6385887842942716
Energy: 0.6472138483304496
Energy: 0.6696287811860321
Energy: 0.6613824287565939
Energy: 0.668484269778909
Energy: 0.6406603795200395
Energy: 0.6617902790230712
Energy: 0.6391388795708038
Energy: 0.6684842697800429
Energy: 0.6406603795211734
Energy: 0.6617902790283627
Energy: 0.6513224957732284
Energy: 0.6834943321692263
Energy: 0.6226308935432455
Energy: 0.6616859730399215
Energy: 0.6513224957713386
Energy: 0.6834943321722501
Energy: 0.6226308935436234
Energy: 0.6593348717251524
Energy: 0.6406965344034811
Energy: 0.6627204276951294
Energy: 0.6247954309567342
Energy: 0.6593348717232625
Energy: 0.640696534403103
Energy: 0.6627204276985311
Energy: 0.6555980135450076
Energy: 0.6622627154923082
Energy: 0.6217604597640507
Energy: 0.6615763123819592
Energy: 0.6555980135438736
Energy: 0.6622627154953321
Energy: 0.6217604597632947
Energy: 0.6592678310517827
Energy: 0.6794137841571147
Energy: 0.671265148399109
Energy: 0.679420186424445
Energy: 0.6592678310517827
Energy: 0.6794137841586266
Energy: 0.6712651483972192
Energy: 0.6555436128004857
Energy: 0.66167949037931
Energy: 0.6217633066162599
Energy: 0.6622339435512364
Energy: 0.6555436128016193
Energy: 0.6616794903785541
Energy: 0.6217633066173939

minimum gb energy = 0.6217604597632947 eV
minimum distance =  2.62417616296119 Angstroms
sigma value = 21


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

Energy: 0.6714433606660709
Energy: 0.7291705733923739
Energy: 0.6939819241215718
Energy: 0.7286846320262632
Energy: 0.671443360665612
Energy: 0.7291705733937505
Energy: 0.6808758313182293
Energy: 0.6756749573248209
Energy: 0.6680403944255224
Energy: 0.6444734477461658
Energy: 0.6679814978452047
Energy: 0.6756749573248209
Energy: 0.6680403944259813
Energy: 0.6444734477470835
Energy: 0.6747543880830653
Energy: 0.6645941230351275
Energy: 0.6765123167209816
Energy: 0.6661032915679608
Energy: 0.6747543880830653
Energy: 0.6645941230365041
Energy: 0.6765123167205227
Energy: 0.6620704712740377
Energy: 0.6691710060112899
Energy: 0.6513619609306521
Energy: 0.6549513570875881
Energy: 0.66207047127312
Energy: 0.6691710060108311
Energy: 0.6513619609329464
Energy: 0.6548204157199773
Energy: 0.6267582828861592
Energy: 0.6743078121307702
Energy: 0.6758230899720835
Energy: 0.6548204157199773
Energy: 0.6267582828857003
Energy: 0.6743078121307702
Energy: 0.6622010100476082
Energy: 0.6356973035105391
Energy: 0.7171059289805345
Energy: 0.6615974225864467
Energy: 0.6622010100489848
Energy: 0.6356973035100801
Energy: 0.7171059289809933
Energy: 0.6541413444945278
Energy: 0.6901883673325776
Energy: 0.6498818280932018
Energy: 0.6659501364457479
Energy: 0.6541413444949865
Energy: 0.6901883673334952
Energy: 0.649881828092743
Energy: 0.6682718166374916
Energy: 0.6460038063858404
Energy: 0.7220108023506228
Energy: 0.658961785631513
Energy: 0.6682718166365739
Energy: 0.6460038063826284
Energy: 0.7220108023510816
Energy: 0.6540119109945737
Energy: 0.6621210035220682
Energy: 0.6626599975380204
Energy: 0.7111226857375913
Energy: 0.6540119109941148
Energy: 0.6621210035216093
Energy: 0.6626599975393969
Energy: 0.6547073607761756
Energy: 0.6704315121719349
Energy: 0.6541731461799666
Energy: 0.6591316231082294
Energy: 0.6547073607761756
Energy: 0.6704315121710173
Energy: 0.654173146181343
Energy: 0.7000192377744497
Energy: 0.70480889184653
Energy: 0.6632153589150335
Energy: 0.6508804385764856
Energy: 0.7000192377744497
Energy: 0.70480889184653
Energy: 0.6632153589141156
Energy: 0.6300544801162116
Energy: 0.6488984935703184
Energy: 0.6488969858255677
Energy: 0.6503183519566562
Energy: 0.6300544801162116
Energy: 0.6488984935712361
Energy: 0.6488969858274032
Energy: 0.7092679680308045
Energy: 0.6508298353838757
Energy: 0.6559119281779116
Energy: 0.6577326620714086
Energy: 0.7092679680303456
Energy: 0.6508298353843348
Energy: 0.6559119281783703
Energy: 0.6336534700225127
Energy: 0.6488423800760386
Energy: 0.6528126514119328
Energy: 0.6335615277758998
Energy: 0.6336534700225127
Energy: 0.6488423800764974
Energy: 0.6528126514119328
Energy: 0.6982527841373379
Energy: 0.6424304764479548
Energy: 0.6560629469476524
Energy: 0.6572127035460793
Energy: 0.6982527841373379
Energy: 0.642430476447496
Energy: 0.6560629469458171
Energy: 0.629557547538379
Energy: 0.6921379157608571
Energy: 0.6528079594487748
Energy: 0.6433212842440068
Energy: 0.6295575475388379
Energy: 0.6921379157603983
Energy: 0.6528079594492335
Energy: 0.6978552546021485
Energy: 0.6422813259652659
Energy: 0.7029449441878242
Energy: 0.6570033780560768
Energy: 0.6978552546026072
Energy: 0.6422813259661835
Energy: 0.7029449441882829
Energy: 0.6295270200780199
Energy: 0.6717615250126803
Energy: 0.6590245758419522
Energy: 0.6512484897025139
Energy: 0.6295270200784786
Energy: 0.6717615250140567
Energy: 0.6590245758414933
Energy: 0.677981183999272
Energy: 0.6422538785123518
Energy: 0.6750866608260913
Energy: 0.6482656169354707
Energy: 0.6779811840001896
Energy: 0.6422538785123518
Energy: 0.6750866608251735
Energy: 0.6298590360706828
Energy: 0.6912575618238841
Energy: 0.6430780380375315
Energy: 0.6914104331279443
Energy: 0.6298590360711417
Energy: 0.6912575618234251
Energy: 0.6430780380379905
Energy: 0.6779823623985138
Energy: 0.6485791015153867
Energy: 0.7047739139043422
Energy: 0.6423413194316981
Energy: 0.6779823623980549
Energy: 0.6485791015149279
Energy: 0.7047739139048009
Energy: 0.6295393386305915
Energy: 0.6512418837002842
Energy: 0.6590186078692715
Energy: 0.6717458973352958
Energy: 0.6295393386315091
Energy: 0.6512418837012018
Energy: 0.6590186078683539
Energy: 0.6979436218468744
Energy: 0.6569024011780498
Energy: 0.6514229280713876
Energy: 0.6422277333625027
Energy: 0.6979436218487098
Energy: 0.6569024011803439
Energy: 0.6514229280713876
Energy: 0.6295558559568243
Energy: 0.6433683473099454
Energy: 0.6527110856241665
Energy: 0.6922503015181735
Energy: 0.6295558559549888
Energy: 0.643368347310863
Energy: 0.6527110856241665
Energy: 0.6981593693284865
Energy: 0.6571594091603787
Energy: 0.7277283148780049
Energy: 0.6423315405384232
Energy: 0.6981593693280278
Energy: 0.6571594091599199
Energy: 0.7277283148789225

minimum gb energy = 0.6267582828857003 eV
minimum distance =  2.51529807121186 Angstroms
sigma value = 113


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

Energy: 0.6736013083679834
Energy: 0.7076704389218955
Energy: 0.6694717031504613
Energy: 0.7062858142795011
Energy: 0.6736013083672384
Energy: 0.7076704389247357
Energy: 0.6694717031509735
Energy: 0.7100576254640997
Energy: 0.6878496378514876
Energy: 0.6665164537558336
Energy: 0.6980311164867666
Energy: 0.7100576254646118
Energy: 0.687849637852512
Energy: 0.6665164537558336
Energy: 0.6824310184920954
Energy: 0.6946436071256242
Energy: 0.7098113544369006
Energy: 0.68138922253302
Energy: 0.6824310184905589
Energy: 0.6946436071253448
Energy: 0.7098113544374126
Energy: 0.6641295331176533
Energy: 0.6921366603483223
Energy: 0.7222471269302095
Energy: 0.6762983621097737
Energy: 0.6641295331199347
Energy: 0.6921366603506502
Energy: 0.722247126931746
Energy: 0.6825016075684208
Energy: 0.6477276999957926
Energy: 0.6786232746186223
Energy: 0.667991673982661
Energy: 0.6825016075686535
Energy: 0.647727699995001
Energy: 0.6786232746196466
Energy: 0.6552232223136991
Energy: 0.6928142243908985
Energy: 0.7440049356717315
Energy: 0.6503537397629933
Energy: 0.6552232223139319
Energy: 0.6928142243888499
Energy: 0.7440049356701951
Energy: 0.6546711772423905
Energy: 0.646173288267302
Energy: 0.6881022887572911
Energy: 0.6600632421529369
Energy: 0.6546711772410869
Energy: 0.6461732882683263
Energy: 0.6881022887596191
Energy: 0.654861459740798
Energy: 0.6784449270159607
Energy: 0.7280905227890103
Energy: 0.6574230580152726
Energy: 0.6548614597410775
Energy: 0.6784449270164729
Energy: 0.7280905227890103
Energy: 0.647470404748469
Energy: 0.6579427746278879
Energy: 0.7070769615153883
Energy: 0.6612452860418484
Energy: 0.6474704047474444
Energy: 0.6579427746278879
Energy: 0.7070769615130603
Energy: 0.6373052663980857
Energy: 0.6708583405288476
Energy: 0.7064055567523594
Energy: 0.664295313351353
Energy: 0.6373052664014379
Energy: 0.6708583405281027
Energy: 0.7064055567521265
Energy: 0.6592788044709574
Energy: 0.6720491140083374
Energy: 0.7147997706587443
Energy: 0.6641695551062677
Energy: 0.6592788044697003
Energy: 0.6720491140086167
Energy: 0.7147997706602807
Energy: 0.6448142974341068
Energy: 0.6723467202608376
Energy: 0.7226888630088133
Energy: 0.6636171676119742
Energy: 0.6448142974330824
Energy: 0.6723467202616291
Energy: 0.7226888630108618
Energy: 0.6699198561454273
Energy: 0.6664068349085079
Energy: 0.7093772072836451
Energy: 0.6706766567158345
Energy: 0.6699198561459394
Energy: 0.6664068349074836
Energy: 0.7204149304605022
Energy: 0.6710489581320085
Energy: 0.7113897203945548
Energy: 0.7457021124432998
Energy: 0.6980338559946346
Energy: 0.6710489581312635
Energy: 0.7113897203909697
Energy: 0.7457021124443239
Energy: 0.6674069090257834
Energy: 0.6666469002038262
Energy: 0.7412965501502113
Energy: 0.685306032165864
Energy: 0.6674069090296012
Energy: 0.6666469002063871
Energy: 0.7412965501471385
Energy: 0.6729827541836869
Energy: 0.676810188502024
Energy: 0.7172137002044203
Energy: 0.6764513438976444
Energy: 0.6729827541834075
Energy: 0.6768101885023033
Energy: 0.7172137002046531
Energy: 0.7045138518500734
Energy: 0.6664015331094929
Energy: 0.7447734913973559
Energy: 0.6590238252693206
Energy: 0.7045138518505856
Energy: 0.6664015331107966
Energy: 0.7447734914007083
Energy: 0.6411537685318296
Energy: 0.6675927634577883
Energy: 0.7140361621413209
Energy: 0.6588464995520251
Energy: 0.6411537685354147
Energy: 0.6675927634580209
Energy: 0.7140361621408088
Energy: 0.7047676669812689
Energy: 0.6828297232038303
Energy: 0.7293825727627404
Energy: 0.6889535026420612
Energy: 0.7047676669800117
Energy: 0.682829723205134
Energy: 0.7293825727640441
Energy: 0.6333107543496423
Energy: 0.6763099698546757
Energy: 0.7031174520626733
Energy: 0.6314664829916035
Energy: 0.6333107543496423
Energy: 0.6763099698551879
Energy: 0.7031174520588553
Energy: 0.6472608545838376
Energy: 0.6454380352813336
Energy: 0.7235586151639269
Energy: 0.6915651013926605
Energy: 0.6472608545830927
Energy: 0.6454380352805887
Energy: 0.7235586151647184
Energy: 0.6349219927593263
Energy: 0.6607400639247506
Energy: 0.6874795902984729
Energy: 0.647210406934703
Energy: 0.6349219927593263
Energy: 0.6607400639224226
Energy: 0.6874795903002888
Energy: 0.6554116212389932
Energy: 0.6451433759008313
Energy: 0.7321426658851965
Energy: 0.696003620361509
Energy: 0.6554116212405297
Energy: 0.645143375900319
Energy: 0.7321426658857086
Energy: 0.6709609087295801
Energy: 0.6640373496175056
Energy: 0.7004372323365797
Energy: 0.6597095173618948
Energy: 0.6709609087285558
Energy: 0.6640373496169935
Energy: 0.7004372323398854
Energy: 0.6703173538749623
Energy: 0.6736331533512708
Energy: 0.6752459336015612
Energy: 0.7236739744334987
Energy: 0.6703173538780353
Energy: 0.6736331533520623
Energy: 0.6752459336018406
Energy: 0.6674658292616584
Energy: 0.7058499245959621
Energy: 0.6970141195747697
Energy: 0.6705868143823984
Energy: 0.66746582926245
Energy: 0.7058499245946585
Energy: 0.6970141195752819
Energy: 0.6977050596311223
Energy: 0.669914533861649
Energy: 0.6722081081197218
Energy: 0.740412356237082
Energy: 0.6977050596352198
Energy: 0.6699145338639305
Energy: 0.6722081081186975
Energy: 0.6817880326269655
Energy: 0.7265539015296165
Energy: 0.7101506812737667
Energy: 0.7089369132808951
Energy: 0.6817880326274777
Energy: 0.7265539015332017
Energy: 0.7101506812750237
Energy: 0.709778635126249
Energy: 0.6703926625828295
Energy: 0.7182848263782811
Energy: 0.737611871710261
Energy: 0.7097786351277854
Energy: 0.6703926625864147
Energy: 0.7182848263800969
Energy: 0.6655278316359575
Energy: 0.6990030596817726
Energy: 0.693839895983782
Energy: 0.6951432834569443
Energy: 0.6655278316369819
Energy: 0.6990030596814933
Energy: 0.69383989598327
Energy: 0.6671473390792452
Energy: 0.6742593429856029
Energy: 0.7171877322586273
Energy: 0.7056143881545267
Energy: 0.6671473390800368
Energy: 0.6742593429845786
Energy: 0.7171877322565787
Energy: 0.6636496172098902
Energy: 0.6470469273147101
Energy: 0.6768501420315096
Energy: 0.6709084070669359
Energy: 0.6636496172086332
Energy: 0.6470469273139652
Energy: 0.6768501420323011
Energy: 0.649060279643956
Energy: 0.6671212496189128
Energy: 0.7385879576549167
Energy: 0.6836611257488115
Energy: 0.6490602796436765
Energy: 0.6671212496191921
Energy: 0.738587957656686
Energy: 0.6513415152170521
Energy: 0.6468654859071573
Energy: 0.6691859115100628
Energy: 0.6480636303719547
Energy: 0.6513415152196128
Energy: 0.6468654859045966
Energy: 0.6691859115087591
Energy: 0.6503932261301927
Energy: 0.6443090228428946
Energy: 0.7298908572040881
Energy: 0.6832788913278582
Energy: 0.6503932261319618
Energy: 0.6443090228428946
Energy: 0.7298908572081853
Energy: 0.6433831143340296
Energy: 0.6539509447225822
Energy: 0.664795594612417
Energy: 0.6385517662458716
Energy: 0.6433831143311896
Energy: 0.6539509447205334
Energy: 0.6647955946121377
Energy: 0.6489718148282373
Energy: 0.6543102948052519
Energy: 0.7074201287550607
Energy: 0.681679216127786
Energy: 0.6489718148256766
Energy: 0.6543102948065556
Energy: 0.7074201287593908
Energy: 0.6526133358642164
Energy: 0.6474977314479643
Energy: 0.6934495757375563
Energy: 0.6635352973811531
Energy: 0.6526133358637043
Energy: 0.647497731449268
Energy: 0.6934495757383479
Energy: 0.6634160741049868
Energy: 0.6667663247080842
Energy: 0.7451857948962095
Energy: 0.6820617128456078
Energy: 0.6634160741044747
Energy: 0.6667663247068272
Energy: 0.7451857948975131
Energy: 0.6497689459258257
Energy: 0.6769319633133802
Energy: 0.7060678167371048
Energy: 0.6683118631972284
Energy: 0.649768945923777
Energy: 0.676931963313613
Energy: 0.7060678167353356
Energy: 0.6846063317879936
Energy: 0.6667362622391274
Energy: 0.7358529705372224
Energy: 0.6960137886681564
Energy: 0.6846063317874814
Energy: 0.6667362622381031
Energy: 0.7358529705377346
Energy: 0.6497880866987167
Energy: 0.6621836323887899
Energy: 0.7495481600050712
Energy: 0.7029918657698664
Energy: 0.6497880866987167
Energy: 0.6621836323887899
Energy: 0.7495481600068405
Energy: 0.6737254823865005
Energy: 0.6667230497466242
Energy: 0.7228130569039327
Energy: 0.6917184206540488
Energy: 0.67372548238678
Energy: 0.6667230497458327
Energy: 0.7228130569062141
Energy: 0.687395331795702
Energy: 0.6629751231917702
Energy: 0.7432727054132952
Energy: 0.6396351495775686
Energy: 0.6873953317975178
Energy: 0.6629751231914908
Energy: 0.743272705412038
Energy: 0.6477403431870916
Energy: 0.6689270528126763
Energy: 0.7096839836678829
Energy: 0.6745852706103452
Energy: 0.6477403431842516
Energy: 0.6689270528152372
Energy: 0.7096839836632735

minimum gb energy = 0.6314664829916035 eV
minimum distance =  2.51990442812275 Angstroms
sigma value = 365


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

Energy: 0.6800288722243368
Energy: 0.5225050556720637
Energy: 0.6175156868186172
Energy: 0.5225050556732185
Energy: 0.6800288722243368
Energy: 0.5225050556720637
Energy: 0.6175156868180398
Energy: 0.6800288722243368
Energy: 0.5225050556720637
Energy: 0.6861701385254646
Energy: 0.522505055672641
Energy: 0.6800288722237594
Energy: 0.522505055672641
Energy: 0.7197518829009065
Energy: 0.6800288722237594
Energy: 0.5225050556732185
Energy: 0.6169100536488454
Energy: 0.5225050556732185
Energy: 0.6800288722243368
Energy: 0.5225050556732185
Energy: 0.5924930462862336
Energy: 0.6800288722237594
Energy: 0.522505055672641
Energy: 0.605043131474504
Energy: 0.522505055672641
Energy: 0.6800288722243368
Energy: 0.5225050556732185
Energy: 0.6050431315010624
Energy: 0.6800288722243368
Energy: 0.522505055672641
Energy: 0.5924388193762824
Energy: 0.522505055672641
Energy: 0.6800288722237594
Energy: 0.5225050556732185
Energy: 0.5924388193762824
Energy: 0.6800288722237594
Energy: 0.5225050556720637
Energy: 0.6135834921251829
Energy: 0.5225050556732185
Energy: 0.6800288722237594
Energy: 0.5225050556720637
Energy: 0.6162057391031833
Energy: 0.6800288722237594
Energy: 0.522505055672641
Energy: 0.6175156868197721
Energy: 0.5225050556732185
Energy: 0.6800288722243368
Energy: 0.5225050556720637
Energy: 0.6175156868191947
Energy: 0.6800288722243368
Energy: 0.522505055672641
Energy: 0.5924930462862336
Energy: 0.5225050556732185
Energy: 0.680028872223182
Energy: 0.5225050556732185
Energy: 0.6267792210832137
Energy: 0.680028872224914
Energy: 0.5225050556732185
Energy: 0.6163252818707506
Energy: 0.5225050556732185
Energy: 0.6800288722243368
Energy: 0.522505055672641
Energy: 0.5924737666986333
Energy: 0.6800288722243368
Energy: 0.522505055672641
Energy: 0.6169100536494229
Energy: 0.522505055672641
Energy: 0.6800288722243368
Energy: 0.522505055672641
Energy: 0.6169100536488454
Energy: 0.6800288722243368
Energy: 0.5225050556732185
Energy: 0.5924737666963239
Energy: 0.5225050556732185
Energy: 0.6800288722237594
Energy: 0.522505055672641
Energy: 0.5924737666974786
Energy: 0.6800288722243368
Energy: 0.522505055672641
Energy: 0.592493046286811
Energy: 0.522505055672641
Energy: 0.6800288722237594
Energy: 0.522505055672641
Energy: 0.5924930462873883
Energy: 0.6800288722243368
Energy: 0.5225050556732185
Energy: 0.617249190840856
Energy: 0.5225050556732185
Energy: 0.680028872223182
Energy: 0.5225050556732185
Energy: 0.6172491908385467
Energy: 0.6800288722243368
Energy: 0.5225050556732185
Energy: 0.5924930462873883
Energy: 0.5225050556732185
Energy: 0.6800288722237594
Energy: 0.5225050556737959
Energy: 0.5924930462873883
Energy: 0.6800288722243368
Energy: 0.522505055672641
Energy: 0.5924930462885429
Energy: 0.5225050556732185
Energy: 0.6800288722243368
Energy: 0.5225050556737959
Energy: 0.592493046286811
Energy: 0.680028872224914
Energy: 0.522505055672641
Energy: 0.5924930462873883
Energy: 0.5225050556732185
Energy: 0.6800288722243368
Energy: 0.5225050556720637
Energy: 0.5924930462873883
Energy: 0.6800288722237594
Energy: 0.522505055672641
Energy: 0.5924930462873883
Energy: 0.5225050556743732
Energy: 0.680028872224914
Energy: 0.5225050556720637
Energy: 0.592493046286811
Energy: 0.6800288722243368
Energy: 0.522505055670909
Energy: 0.5924930462879656
Energy: 0.5225050556732185
Energy: 0.6800288722243368
Energy: 0.522505055672641
Energy: 0.5924930462856562
Energy: 0.6800288722237594
Energy: 0.5225050556732185
Energy: 0.5924930462879656
Energy: 0.5225050556732185
Energy: 0.6800288722237594
Energy: 0.522505055672641
Energy: 0.5924930462862336
Energy: 0.680028872224914
Energy: 0.522505055672641
Energy: 0.592493046286811
Energy: 0.5225050556737959
Energy: 0.6800288722237594
Energy: 0.5225050556720637
Energy: 0.592493046286811

minimum gb energy = 0.522505055670909 eV
minimum distance =  2.66159653858994 Angstroms
sigma value = 23