Model name: model_name=EAM_Dynamo_HaleWongZimmerman_2008PairMorse_PdAgH__MO_108983864770_005
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.884859305620196
cohesive_energy=3.9107321447526497
mass=106.42
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[9.87708249151686e-20, 1.6354698644545198e-19, 2.2192229210524197e-19, 2.7662861327317196e-19, 3.24194033183364e-19, 3.6551256639759e-19, 4.0101359625376197e-19, 4.31262691103682e-19, 4.56935969486898e-19, 4.786839151168139e-19, 4.97056074578892e-19, 5.12497852977384e-19, 5.305335553463219e-19, 5.482408115052899e-19, 5.64152027657544e-19, 5.78010855541644e-19, 5.899102214023619e-19, 5.999831059003199e-19, 6.08335252693362e-19, 6.150387597300179e-19, 6.201513053691119e-19, 6.237289657928339e-19, 6.25832623713276e-19, 6.265183553126279e-19, 6.2577814970772e-19, 6.233796912866219e-19, 6.190281795486779e-19, 6.120859481935559e-19, 6.03209889641196e-19, 5.918873073687179e-19, 5.76987064672518e-19, 5.57530231629222e-19, 5.32472189073462e-19, 5.00548819641012e-19, 4.60143527108166e-19, 4.0918629926379594e-19, 3.45075201254286e-19, 2.64597868928466e-19, 1.63836980416206e-19, 4.06975295508876e-20, -1.1404036932550558e-19, -3.0838856068895397e-19, -5.53685007707622e-19, -8.672421902178599e-19, -1.2728091724654499e-18, -1.80598952361114e-18, -2.5183012333212e-18, -3.5006758364582994e-18, -4.916999980914299e-18, -9.14423087735892e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.014775089905345337
Energy: 0.017891250261574152
Energy: 0.08774141438770745
Energy: 0.088492770826856
Energy: 0.017359109082237353
Energy: 0.015911314226782308
Energy: 4.31987210939771
Energy: 0.08858030860578671
Energy: 0.08822428057489419
Energy: 0.016803422429945473
Energy: 0.015296990246861781
Energy: 4.777517055781138
Energy: 0.08757769998274521
Energy: 0.08838042500531947
Energy: 0.08817082293422739
Energy: 4.317471271733724
Energy: 4.357567957683244
Energy: 0.0865338967962446
Energy: 0.08811224877372208
Energy: 0.08817906181062098
Energy: 0.08873374012943469
Energy: 0.01734065665711597
Energy: 0.015147788727366492
Energy: 0.08685745280807386
Energy: 0.08828722184964795
Energy: 0.08849894909744059
Energy: 0.016751509088244035
Energy: 0.015212166548227522
Energy: 0.08671169114608777
Energy: 0.08837214658392147
Energy: 0.08801816499883419
Energy: 0.015853907668178797
Energy: 0.015763944981079643
Energy: 0.08650421670011929
Energy: 0.08730325750394811
Energy: 0.08857380802624162
Energy: 0.015996582640166457
Energy: 0.015371916052344737
Energy: 0.08643768516353763
Energy: 0.08661298181325762
Energy: 0.08763360160094688
Energy: 0.08808519269694673
Energy: 0.08879964316740649
Energy: 0.016038699624821844
Energy: 0.015737947918858727
Energy: 0.08748981051010818
Energy: 0.08864503980557571
Energy: 4.327266727222097
Energy: 0.016572477922792112
Energy: 4.5610948763513965
Energy: 0.08908425673855944
Energy: 0.08765927850738016
Energy: 0.08739768118210682
Energy: 0.015870293761134115
Energy: 0.018152643334859508
Energy: 0.08659710435286029
Energy: 0.08687816047247607
Energy: 4.30403160320624
Energy: 0.016294930380241726
Energy: 0.01846398142566112
Energy: 0.01891402086490991
Energy: 0.08874860166339783
Energy: 0.08757677835473332
Energy: 0.08849092136662443
Energy: 4.321709023134429
Energy: 0.018658400756089297
Energy: 0.0890081697543381
Energy: 0.08738841409338419
Energy: 0.08772609712174513
Energy: 4.299309435462939

minimum gb energy = 0.014775089905345337 eV
minimum distance =  0.893382417674545 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 0.6931895106457673
Energy: 0.6608560530851735
Energy: 0.6657015225426189
Energy: 0.686323869735768
Energy: 0.6898856176495092
Energy: 0.6629276319495192
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Energy: 0.6626067236054364
Energy: 0.6929962642458111
Energy: 0.5779184424327691
Energy: 0.7392756178584089
Energy: 0.666450101020652
Energy: 0.6923841392482458
Energy: 0.6041167768467468
Energy: 1.2367586657550917
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Energy: 0.619096406462093
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Energy: 1.1766124922716492
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Energy: 0.6161651115407581
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Energy: 0.5812641841250245
Energy: 1.5454535187776919
Energy: 0.5798337307072506
Energy: 2.056129774629357
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Energy: 0.6891732973611573
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Energy: 0.6855947023804281
Energy: 0.6869724700653564
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Energy: 0.6856030037676825
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Energy: 0.5295914522520393
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Energy: 0.7362928983812981
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Energy: 0.595424344989543
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Energy: 0.5609019582612453
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Energy: 0.6893725118897872
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Energy: 0.5939665647449688
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Energy: 0.978570073334205
Energy: 0.6192994427223116
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Energy: 1.0317007012822332
Energy: 0.5953059617323044
Energy: 0.6191909513079237
Energy: 0.6368655644031337
Energy: 1.2260205710952423
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Energy: 0.606238000420325
Energy: 0.6190309050050273
Energy: 0.6937913796080902
Energy: 0.5917998941826859
Energy: 0.6009765262160985
Energy: 1.3906286323000439
Energy: 0.6569728481793297
Energy: 0.583987586366913
Energy: 0.5842648500813269
Energy: 0.6007846829230384
Energy: 1.5657864536405437
Energy: 0.6645427062152247
Energy: 0.6652692526549752
Energy: 0.6617626690882509
Energy: 0.6662269026142592
Energy: 0.6937710985584324
Energy: 0.6981246806242051
Energy: 0.584721449914432
Energy: 2.894611715813746
Energy: 0.6668600179178414
Energy: 0.6951875409470331
Energy: 0.6978665912387252
Energy: 0.654999686823549
Energy: 0.6022751536156813
Energy: 0.685236741666301
Energy: 1.6233926359778332
Energy: 0.6779921175835294
Energy: 0.5804199723353484
Energy: 0.6032000251892456
Energy: 0.6906963782383088
Energy: 1.4372025946518994
Energy: 0.6795615859185549
Energy: 0.717715863358922
Energy: 1.7377004733063899
Energy: 0.6629323100990607
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Energy: 0.6857653610273802
Energy: 0.6863558741028807
Energy: 0.6619472078514574
Energy: 0.6613037278740114
Energy: 0.6612551650464119
Energy: 0.6973066956060041

minimum gb energy = 0.5295914522520393 eV
minimum distance =  2.43914814144927 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

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Energy: 0.7105850511580962
Energy: 0.6465645736489194
Energy: 0.720528539319507
Energy: 0.7253262058626353
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minimum gb energy = 0.6200325626429596 eV
minimum distance =  0.89940711779856 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.6810937124756549
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Energy: 0.6775865953312501
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Energy: 0.6911008946118226
Energy: 1.2971152400114463
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Energy: 0.6703866528495346
Energy: 0.6777549915593228
Energy: 0.7029416852860687
Energy: 0.6760429570319287
Energy: 0.6962069376428646
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Energy: 1.2425412757590444
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Energy: 0.6880064655534501
Energy: 0.6721689590162057
Energy: 0.6722672639394353
Energy: 1.2142080614983022
Energy: 1.5928996872496728
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Energy: 0.6716761694679687
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Energy: 1.2376754962185488
Energy: 0.6724073779256665
Energy: 0.6755711015156287
Energy: 0.6702027716778661
Energy: 0.6752231146402197
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Energy: 0.6860950331716738
Energy: 0.6571531657947031
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Energy: 0.6920340735417693
Energy: 0.6748581998910789
Energy: 0.6772921138875558
Energy: 0.6561987561211997
Energy: 0.6836596430113094
Energy: 0.7066322115597821
Energy: 0.6879777696712184
Energy: 1.2708110139635127
Energy: 1.5015741714180946
Energy: 0.6887879100161622
Energy: 0.6982077945212001
Energy: 0.7089612005577646
Energy: 0.7073390813452627
Energy: 1.616206344909445
Energy: 0.7224162524817468
Energy: 0.6989017864675595
Energy: 0.7050474240661995
Energy: 0.6721111906492426
Energy: 0.7052831102757389
Energy: 0.6422907957305268
Energy: 0.6805916753800421
Energy: 0.6897108248154425
Energy: 0.6635813572461152
Energy: 0.6847132196594321
Energy: 0.6450826064022646
Energy: 0.6402621785986634
Energy: 0.6961345679468051
Energy: 0.6689167570107566
Energy: 0.6459291984048773
Energy: 0.6505108863571346
Energy: 0.6464006743580105
Energy: 1.7146379248031036
Energy: 0.6744894355810924
Energy: 0.6464762650910678
Energy: 0.6467775213578669
Energy: 0.6461748687634026
Energy: 0.6724322798365077

minimum gb energy = 0.6290303233784138 eV
minimum distance =  2.43385410724238 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.6982603270388955
Energy: 0.6561685840600362
Energy: 0.6370201638441851
Energy: 0.6682279782570308
Energy: 0.6119498455652856
Energy: 0.7179073753814204
Energy: 1.017203991665385
Energy: 0.6388334047671397
Energy: 0.6675955557603402
Energy: 0.6535154471676191
Energy: 0.6762892592411113
Energy: 0.6797353650052815
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Energy: 0.6309613147135102
Energy: 0.6656212458817955
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Energy: 0.6915549063241057
Energy: 0.9620380830985839
Energy: 1.5760180602913882
Energy: 0.6621149012677722
Energy: 0.6832981150931813
Energy: 0.7176625946544725
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Energy: 2.505753609070246
Energy: 2.5009144480902523
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Energy: 0.6850285328816471
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Energy: 1.0130057599623212
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Energy: 0.6851663376686904
Energy: 1.2961831362588199
Energy: 0.6868351560340782
Energy: 0.682580457924168
Energy: 2.8087818456228377
Energy: 0.6888233709657432
Energy: 0.6563971468829664
Energy: 0.6934621658877685
Energy: 2.17226756693865
Energy: 2.821688206942474
Energy: 1.0081854227010938
Energy: 0.6709157826274446
Energy: 0.6917127817735015
Energy: 0.7086672418476727
Energy: 0.6491511141173397
Energy: 0.6654336202167778
Energy: 0.6371014682690622
Energy: 0.6842703065558959
Energy: 0.6621097021180218
Energy: 0.6734255850905337
Energy: 0.6714018960337654
Energy: 0.6342425127405337
Energy: 0.6787181671590808
Energy: 0.6658679051449624
Energy: 0.6326104183753459
Energy: 0.6282981149296071
Energy: 0.6368759226351666
Energy: 0.6776361428222056
Energy: 0.6591946638031665
Energy: 0.652636634681204
Energy: 0.6752859828500235
Energy: 0.6425942643788907
Energy: 0.9842064390280405
Energy: 0.6627828409475058
Energy: 0.6611477981666346
Energy: 0.6405730266199099
Energy: 0.6293873100987799
Energy: 2.286220275184386
Energy: 0.6382876362704746
Energy: 0.6471903447182243
Energy: 0.64099299534513
Energy: 0.6593857791347938
Energy: 0.6402132606171042
Energy: 0.6543825748480188
Energy: 0.668726156023896
Energy: 0.6384100577266146
Energy: 0.6530418996931682
Energy: 0.6404813285084041
Energy: 0.6508695673312279
Energy: 0.6681600292397377
Energy: 0.6418110174337508
Energy: 1.3319531048034805

minimum gb energy = 0.6119498455652856 eV
minimum distance =  0.923761171569011 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 2.4239899832808915
Energy: 0.7376831145333178
Energy: 0.5833086358484685
Energy: 0.58351963062865
Energy: 2.1690006444539267
Energy: 2.209305321289898
Energy: 0.5843231997062732
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Energy: 0.9863050638490262
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Energy: 0.6032508640654618
Energy: 1.7866550566169432
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Energy: 0.8325219660327542
Energy: 0.574770698838428
Energy: 0.5790103191298451
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Energy: 0.5995609005604631
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Energy: 1.6809674034148558
Energy: 0.563178835246283
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Energy: 0.5932388759858915
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Energy: 0.5965376081124563
Energy: 1.4370853034076088
Energy: 1.5710403715271322
Energy: 0.723172988883466
Energy: 1.795715496522526
Energy: 0.6008925606080808
Energy: 0.5842631142954539
Energy: 0.6025690695671773
Energy: 0.583872008491729
Energy: 0.9787785979879682
Energy: 0.5995757595571496
Energy: 0.6182034933832146
Energy: 0.6001507007724113
Energy: 0.5989323404838862
Energy: 0.7312827025745599
Energy: 0.5944067484904193
Energy: 0.6241151024474786
Energy: 0.5972184969983416
Energy: 0.598550619770649
Energy: 0.595235448466947
Energy: 0.5872131817152537
Energy: 0.5978801059419024
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Energy: 0.6006625901935085
Energy: 0.5908977247859069
Energy: 0.6008184030224382
Energy: 0.5971945940693034
Energy: 0.603931323462849
Energy: 0.8633226719426165
Energy: 0.6104233691907629
Energy: 1.6142582752383958
Energy: 1.5923063675877778
Energy: 0.5999693263735624
Energy: 0.6004004374315741
Energy: 0.6001490537780373
Energy: 1.3666199817584959
Energy: 1.5684650900730213
Energy: 0.5950045916454982
Energy: 0.592776781244565
Energy: 0.602623344772889
Energy: 0.6545002477970948
Energy: 0.5748778030051082
Energy: 0.5655184920861264
Energy: 0.5931801558297946
Energy: 0.7253911994355611
Energy: 0.6468986328314016
Energy: 0.5933740175131823
Energy: 0.5901288854558066
Energy: 0.6032967902073608
Energy: 0.5948053136365106
Energy: 0.606641302944008
Energy: 0.5845379835552971
Energy: 0.5723429721354417
Energy: 0.5775772748199355
Energy: 1.4838639244999
Energy: 0.5827571859066902
Energy: 0.578690983763668
Energy: 0.5921257167256128
Energy: 0.5851199151326407
Energy: 0.60264999073932
Energy: 0.620772378740238
Energy: 0.585952846461239
Energy: 0.5812175243389318
Energy: 0.5715491311121189
Energy: 0.5758697074230291
Energy: 1.4877785217935096
Energy: 0.5889099370636268
Energy: 0.5650297149336339
Energy: 0.5965151506961953
Energy: 0.5825098574767565
Energy: 0.8962566213274968
Energy: 0.5890323436899593
Energy: 0.6010699503679701
Energy: 0.5849352054374438
Energy: 0.6424471429519788
Energy: 0.574835278285944
Energy: 0.579363334042162
Energy: 0.5844660362472608
Energy: 0.9517477076266918

minimum gb energy = 0.563178835246283 eV
minimum distance =  0.935280823112557 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.235203960113284
Energy: 0.23511244200851072
Energy: 0.2577899168427062
Energy: 0.25302570905535154
Energy: 0.23425275601978374
Energy: 0.23602677316062792
Energy: 4.131101135208225
Energy: 0.258983259504257
Energy: 0.252845850381144
Energy: 0.23457471445060435
Energy: 0.2498096809127349
Energy: 0.253064780309261
Energy: 0.2624207087467565
Energy: 0.262957664877488
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Energy: 3.9081848517871656
Energy: 0.2533972699848729
Energy: 0.24514260787105382
Energy: 0.262877696610902
Energy: 3.9128563067680706
Energy: 3.9175383750933337
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Energy: 0.2664773453415198
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Energy: 3.8948260989141428
Energy: 0.26377801059746886
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Energy: 0.24682248056655157
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Energy: 0.2836583830317341
Energy: 0.24522580481227318
Energy: 3.9597372926092254
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Energy: 0.25285415610992745
Energy: 3.9146369943209143
Energy: 0.23412907358422208
Energy: 0.24482021950970154
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Energy: 0.2639156610291644
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Energy: 0.24690509197152996
Energy: 0.26295364942688515
Energy: 0.26932183107078905
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Energy: 0.25383918028955205
Energy: 0.24430326970080132
Energy: 0.2940184855646231
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Energy: 0.24252878070042666
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Energy: 0.26411208634276945
Energy: 3.925275861106091
Energy: 0.23678568951070442
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Energy: 0.29470917252030615
Energy: 0.26341403114784306
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Energy: 0.2578089690519926
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Energy: 3.9104100836434283
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Energy: 3.9061385335791368
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Energy: 0.26589203309198667
Energy: 0.2623932293513463
Energy: 0.2407082712436659
Energy: 3.9204708639197183
Energy: 0.24571296919657168
Energy: 0.24512149457579457
Energy: 3.9060466915893515
Energy: 0.2412718347665813
Energy: 0.262786717606814
Energy: 0.2473396238054388
Energy: 0.24446775200722298
Energy: 0.23576093600943915
Energy: 0.24142910916664245
Energy: 0.2619342578098159
Energy: 0.24635331358902024
Energy: 0.24519842724878435
Energy: 0.2347785552609716
Energy: 0.23642132194261453
Energy: 0.26325679041134736
Energy: 0.2572797288512011
Energy: 0.2529394231606165
Energy: 0.23479684855811586
Energy: 0.23642436369571845
Energy: 0.2626966418697114
Energy: 0.2452128024262216
Energy: 0.26111559673381995
Energy: 3.924564705751625
Energy: 3.9169843381292977
Energy: 0.24518834065756753
Energy: 0.2454554650179188
Energy: 0.2619461085749119
Energy: 3.9490905185404506
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Energy: 0.24388049440825998
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Energy: 3.9485185790411554
Energy: 0.2637864233563228
Energy: 0.2584889307755092
Energy: 0.24247445086462674
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Energy: 0.29375452170948185
Energy: 0.26371471920572076
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Energy: 0.24825034161256995
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Energy: 0.2936959256599385
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Energy: 0.2629470786061925
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Energy: 0.26205213586656434
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Energy: 3.955051157693532
Energy: 0.2983980063979824
Energy: 0.24392324382293437
Energy: 0.2529754872510727
Energy: 0.23520322450834052
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Energy: 0.2645212545219912
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Energy: 0.2525227147154711
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Energy: 3.9524197056888193
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Energy: 3.9253592952209613
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Energy: 0.2955625897238636
Energy: 0.24461806320698046
Energy: 0.2529805712433659
Energy: 3.905029736770855
Energy: 3.9346462947525733
Energy: 0.29495871450433264
Energy: 0.2610220390278927
Energy: 0.24452242876503036
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Energy: 0.235224455872556
Energy: 0.25217039233574867
Energy: 0.2614935654771146
Energy: 0.2623557525773401
Energy: 3.93643502896225
Energy: 0.2349988218166193
Energy: 0.2456780894604271
Energy: 0.2658662056623231
Energy: 0.26208811082877437
Energy: 3.902463744233177
Energy: 3.919344739043741
Energy: 0.24641631078885307
Energy: 0.2659031627127904
Energy: 3.8986982138350763
Energy: 0.24193195880064344
Energy: 0.24289019741354073
Energy: 0.2663133320700855
Energy: 0.2610297872005144
Energy: 3.891638188541807
Energy: 0.24911239626101273
Energy: 0.24365372372281854
Energy: 0.30062931469087184
Energy: 0.24550569814623052
Energy: 0.2351608298103256
Energy: 0.23774453094042755
Energy: 3.9308130138708024
Energy: 0.2701797271763514
Energy: 0.24420672961345644
Energy: 0.23520311209870795
Energy: 0.23971739725193275
Energy: 0.26404121525158497
Energy: 0.24569571582616548
Energy: 0.25885229367578494
Energy: 0.26615864807813056
Energy: 3.990787702917218
Energy: 0.25396319969360914
Energy: 0.24749211846877262
Energy: 0.2611953805166247
Energy: 3.9479953304330833
Energy: 3.9404132762964053
Energy: 0.2450557919332878
Energy: 0.2466339556313457
Energy: 0.26138219540743324
Energy: 0.23580695683102904
Energy: 3.9030477210422005
Energy: 0.24425591528558394
Energy: 0.2630350535156157
Energy: 3.908965054402588
Energy: 0.2354471886886789
Energy: 3.898562777542276
Energy: 0.24405847382807283
Energy: 0.2621257469975453
Energy: 0.23421804212121505

minimum gb energy = 0.233404137285329 eV
minimum distance =  2.56847601846318 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.5552429815918012
Energy: 1.0194554272650345
Energy: 0.5380354597234326
Energy: 0.5434178608159708
Energy: 0.5091649792597602
Energy: 0.5093621594567135
Energy: 0.756088255435239
Energy: 0.5411505340955443
Energy: 0.5280303159065295
Energy: 0.5194487406770045
Energy: 2.2335800121952842
Energy: 0.5317026440280131
Energy: 0.5316098617890186
Energy: 0.5299170131688361
Energy: 0.5170566629945204
Energy: 1.1872518003583958
Energy: 0.5327182174532927
Energy: 0.5487225500394053
Energy: 0.5282400620033515
Energy: 0.5454437513763325
Energy: 2.049363080747119
Energy: 0.5319636615217093
Energy: 0.5328099258639806
Energy: 0.5423515179388054
Energy: 0.6829639686265018
Energy: 1.0757370573336422
Energy: 0.5303875665913353
Energy: 0.5294966624487648
Energy: 0.5421755429665496
Energy: 0.8534817452609393
Energy: 1.6211475677540585
Energy: 0.5471365812869992
Energy: 0.519408048880441
Energy: 1.2568524609110656
Energy: 0.5632343910775119
Energy: 0.5492066988238596
Energy: 0.545236125956267
Energy: 0.5388291162135496
Energy: 2.0163105361083056
Energy: 0.5319098701770532
Energy: 0.5377145246605158
Energy: 0.5301664911687891
Energy: 0.5493165909395332
Energy: 0.5278200295525143
Energy: 0.5077168650194034
Energy: 0.5422243679640603
Energy: 0.5500967113286741
Energy: 0.5448546339287755
Energy: 0.5286703044144561
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Energy: 0.5731582538989667
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Energy: 0.5417417473426989
Energy: 0.5455068178388336
Energy: 0.5208355427718334
Energy: 0.6950675165254008
Energy: 0.5197179920667692
Energy: 0.5222775037300728
Energy: 0.5346473067230332
Energy: 0.5334603982123355
Energy: 0.5331279722867687
Energy: 1.048938329161217
Energy: 0.5542582973100564
Energy: 0.5350084116949387
Energy: 0.5323972704708985
Energy: 0.518462607096341
Energy: 1.064213490848465
Energy: 0.5322439132460516
Energy: 0.5434925235259543
Energy: 0.5254394359266071
Energy: 0.5447726917865597
Energy: 0.527373016884751
Energy: 0.5321291388758507
Energy: 0.5462018917572942
Energy: 0.5247716825277914
Energy: 0.53553567016703
Energy: 0.5271269624211636
Energy: 0.527537321513983
Energy: 0.5438114640302123
Energy: 0.515947905863192
Energy: 0.5185396307046036
Energy: 0.5355892800479688
Energy: 0.5365675939375559
Energy: 0.543128777195007
Energy: 0.5153534189093528
Energy: 1.2162971374156917
Energy: 0.5375431177308009
Energy: 0.5610247993406675
Energy: 0.5275589444032961
Energy: 0.5253760019486287
Energy: 0.526777078827508
Energy: 0.5350768387747682
Energy: 1.4375816095266987
Energy: 0.5299622547888668
Energy: 1.0753743262410278
Energy: 0.5266390478094606
Energy: 0.5311516937013842
Energy: 0.5277350877843943
Energy: 0.5442446527092337
Energy: 0.5316542287620112
Energy: 0.5268325642714323
Energy: 0.5253479463014215
Energy: 0.5271762735608415
Energy: 0.5341264197877663
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Energy: 1.2344285008454077
Energy: 0.5148269714536633
Energy: 1.2671480045425587
Energy: 0.5277734433664096
Energy: 0.6011000484397772
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Energy: 0.5530616965933731
Energy: 0.5264653500516163
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Energy: 1.0311365632166118
Energy: 0.6952279048181479
Energy: 0.5296264845491448
Energy: 0.5302684165347441
Energy: 0.5297348059862029
Energy: 0.7080705626259662
Energy: 0.5297839654614299
Energy: 0.5482993287049841
Energy: 0.5297528547407112
Energy: 0.5145886216579193
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Energy: 1.3682967897008145
Energy: 0.5145161869263857
Energy: 0.541589270613332
Energy: 0.5393892229747864
Energy: 0.5961019585268851

minimum gb energy = 0.5066492955712164 eV
minimum distance =  0.923151969421763 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 0.6304160482756123
Energy: 0.6630800009909489
Energy: 0.6581523506229883
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Energy: 1.6765204473225113
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Energy: 0.6427191336449081
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Energy: 1.6924184606420665
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Energy: 0.6727449134588532
Energy: 0.6428844210305564
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Energy: 2.713244343886593
Energy: 0.6499554669695088
Energy: 0.6526939965501886
Energy: 0.6543561847810775
Energy: 0.6412983452064009
Energy: 0.7174726602573944
Energy: 0.648656184004945
Energy: 1.7054478637634836
Energy: 0.6549462389656904
Energy: 0.6780928612462617
Energy: 0.6493402785653279
Energy: 0.6467633369456242
Energy: 1.709226210346965
Energy: 0.6589631898582329
Energy: 0.6777835713483158
Energy: 0.6467565189227341
Energy: 0.6483243659507308
Energy: 0.6280841126271683
Energy: 0.6417269440784568
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Energy: 0.6566220398690812
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Energy: 0.6500796154107116
Energy: 0.6416609807082547
Energy: 0.6503329745358065
Energy: 0.6619038351928893
Energy: 0.6460728338889529

minimum gb energy = 0.6280841126271683 eV
minimum distance =  2.49376871245333 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 0.742914704152341
Energy: 1.511655140235419
Energy: 0.7687804383808808
Energy: 0.7539013139859589
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Energy: 0.75851032782952
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Energy: 0.7672086856981188
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Energy: 1.3137568060113238
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Energy: 1.5708774650487993
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Energy: 1.9327831965094018
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Energy: 0.7355895221464641
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Energy: 0.9322985555533064
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Energy: 1.6422187376813706
Energy: 0.7543685795980347
Energy: 0.7574915215455791
Energy: 0.7502353475448298
Energy: 0.7651279144467978
Energy: 1.6668641029882447
Energy: 1.5717098105734988
Energy: 0.7603150216119686
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minimum gb energy = 0.7255920505382112 eV
minimum distance =  0.930978569034548 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.764431785478332
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Energy: 1.6577448402311452
Energy: 1.7284487110116304
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Energy: 0.7314758371063069
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Energy: 0.7070008603394834
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Energy: 0.7661335382104449
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Energy: 0.7318379189039173
Energy: 0.7152237273401982
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Energy: 2.6070712349891116
Energy: 0.742298551016552
Energy: 0.7266094468434512
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Energy: 1.5946672848736465
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Energy: 0.7298559995654047
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Energy: 0.7280493480530581
Energy: 0.7132157409147717
Energy: 1.6407322778510505
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Energy: 0.7238190542011268
Energy: 2.527261151529453
Energy: 0.7472735293186502
Energy: 1.638650373728287
Energy: 2.612297393325519
Energy: 1.6772619277055252
Energy: 2.525454220756332
Energy: 0.7533904313791506
Energy: 0.726880178739869
Energy: 0.7297856814928724
Energy: 0.746336110967803
Energy: 0.7133642877660471
Energy: 0.7659964686970208
Energy: 0.7259006650524694
Energy: 0.7315508016058115
Energy: 0.7476587997555383
Energy: 0.7178698910246036
Energy: 0.7324622426013424
Energy: 0.7402821593999186
Energy: 0.7267503915177417
Energy: 1.6910268596631646
Energy: 0.7272625483857807
Energy: 0.7321926664925228
Energy: 0.7402379991114281
Energy: 0.7265862386320804
Energy: 0.7378785157732399
Energy: 0.7446158503396795
Energy: 0.7337926814052522
Energy: 0.7490272829006129
Energy: 0.7376602477203341
Energy: 2.5441758847963025
Energy: 0.7286385174995843
Energy: 0.7322826477089004
Energy: 0.7485363039346442
Energy: 0.7386832457527865
Energy: 2.6056518088427993
Energy: 0.7287074490354368
Energy: 1.6371328697362664
Energy: 0.7725428506697357
Energy: 0.7673334095424935
Energy: 2.6502587721714326
Energy: 0.7591501279063572
Energy: 0.7413339986056372
Energy: 0.7725587920856429
Energy: 0.7667780481761681
Energy: 2.6310505739347283
Energy: 0.7589639055623094
Energy: 0.7394797743243532
Energy: 0.748356000600052
Energy: 0.787691512391489
Energy: 0.7327337356286814
Energy: 0.7601446706461608
Energy: 0.737313222729405
Energy: 0.7444860965242591
Energy: 0.7871895175067545
Energy: 0.7323904476887958
Energy: 0.7595210650219832
Energy: 0.7111528129588323
Energy: 1.6815233351446515
Energy: 1.5887823052878765
Energy: 0.7426003760321017
Energy: 1.729186974804525
Energy: 0.7538550390777895
Energy: 0.762696453186444
Energy: 1.5844660135386595
Energy: 0.7418717790972927
Energy: 0.7453582641986359

minimum gb energy = 0.70511297613282 eV
minimum distance =  2.42306215673366 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.7607370048375927
Energy: 0.7151670566596452
Energy: 0.7695954205238802
Energy: 0.7278970384277234
Energy: 0.7147875470173415
Energy: 0.7188261869102077
Energy: 3.1843472313504257
Energy: 0.7712450560022877
Energy: 0.7266169543711066
Energy: 0.7147284938129802
Energy: 0.7811037295154343
Energy: 0.727044978087145
Energy: 3.176931486180821
Energy: 3.2341905103155923
Energy: 0.7242783701216183
Energy: 3.184937993222349
Energy: 0.723865029311312
Energy: 0.7170155230654306
Energy: 3.1757944173215704
Energy: 0.7270660704041694
Energy: 0.7257278917730123
Energy: 0.7254438315960376
Energy: 0.7269271506748909
Energy: 0.7283979036369572
Energy: 5.626626716275857
Energy: 0.724742906449248
Energy: 0.7252533323419551
Energy: 0.7256838517542205
Energy: 0.7297803069802602
Energy: 5.632495696025296
Energy: 0.7707998976828389
Energy: 0.7167352673042621
Energy: 0.7147357024294628
Energy: 0.725951927030957
Energy: 5.689835466765416
Energy: 0.7697977859927326
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Energy: 0.7249503055861405
Energy: 0.7201814888489911
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Energy: 0.718745133126465
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Energy: 0.7715059809988584
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Energy: 0.7149034353166801
Energy: 0.7265554037771689
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Energy: 0.7881327006437775
Energy: 3.2097603637548593
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Energy: 0.725798409127859
Energy: 0.7249338881573781
Energy: 0.7260434989209156
Energy: 0.7253127542118936
Energy: 0.7736107105293251
Energy: 0.7266058022494563
Energy: 0.7191929358051519
Energy: 0.7144658042508572
Energy: 0.7255423090842341
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Energy: 0.715203469949137
Energy: 0.7258693392825226
Energy: 0.7152667354837761
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Energy: 3.2228569171014274
Energy: 3.2112679006228366
Energy: 3.2357257896338747
Energy: 0.7232388670200792
Energy: 0.7157417214819115
Energy: 3.222438027111731
Energy: 0.7254744957514832
Energy: 0.7271501525874114
Energy: 0.7752488228941822
Energy: 0.7255437579035711
Energy: 0.7273276601996901
Energy: 0.7439024365628899
Energy: 3.17646357660774
Energy: 0.795385936670654
Energy: 0.7274627651993841
Energy: 0.7258505929986814
Energy: 0.7194106778671323
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Energy: 5.656453161562859
Energy: 5.626808299355306
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Energy: 0.7156034515285588
Energy: 0.7227938902313145
Energy: 0.7184742070094947
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Energy: 0.8016521785100424
Energy: 0.7193936652137688
Energy: 3.1814653546385467
Energy: 0.7733732201865597
Energy: 0.7260789416071027
Energy: 0.7145997413829507
Energy: 0.7189682712967912
Energy: 3.219625321935333
Energy: 0.7301102638599632
Energy: 0.7268298716732609
Energy: 0.7147132708764445
Energy: 0.7743705342695847
Energy: 0.7256269640188917
Energy: 3.188280906094727
Energy: 3.244518579876195
Energy: 0.7245717739233583
Energy: 3.231697178062838
Energy: 0.7239380410849614
Energy: 0.7189883992121062
Energy: 3.1794895013136353
Energy: 0.7249817101803929
Energy: 0.7270915673537073
Energy: 0.726181122155763
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Energy: 0.7295750607561031
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Energy: 0.7255780552547507
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Energy: 0.7263411265449679
Energy: 0.7709793563763715
Energy: 5.668486629601322
Energy: 0.7707163377268079
Energy: 0.7163409959299508
Energy: 0.7160679647507496
Energy: 0.7264183704416879
Energy: 5.661914811234079
Energy: 0.7701471694847085
Energy: 0.7157954777707047
Energy: 0.7152433146874767
Energy: 0.7267804917310661
Energy: 5.730404557483901
Energy: 0.725039365375649
Energy: 0.7152499888943842
Energy: 0.7186972684500815
Energy: 0.7269316013604973
Energy: 3.206529012199737
Energy: 0.7248648482725406
Energy: 0.7182023269886814
Energy: 0.7190837822127898
Energy: 0.7278636259141509
Energy: 3.2249881376514424
Energy: 0.7235173965732965
Energy: 0.770551887324108
Energy: 0.7261121864055771
Energy: 0.7241965449386621
Energy: 0.7149157625626491
Energy: 0.7271672068156678
Energy: 0.7693652242911212
Energy: 0.7257731101860212
Energy: 0.7251336530080125
Energy: 0.7150169765363842
Energy: 0.7265451339531372
Energy: 0.7204461130082278
Energy: 0.72460552803515
Energy: 0.7251444104630052
Energy: 0.8366733749985085
Energy: 3.2382627372231205
Energy: 0.7198457826509023
Energy: 0.7244656454313066
Energy: 0.7264390519821707
Energy: 0.7286622939831506
Energy: 0.7251816602276724
Energy: 0.7732244111998775
Energy: 0.731658088296349
Energy: 0.7191764593092985
Energy: 0.7148910352857631
Energy: 0.7256640040468779
Energy: 0.7746538821389771
Energy: 3.1854760839999936
Energy: 0.7197338375644078
Energy: 0.7155182220808048
Energy: 0.7257166346419687
Energy: 0.7148524959514776
Energy: 0.724443935879306
Energy: 0.7147506130519282
Energy: 3.2197601196142505
Energy: 3.1781359795073794
Energy: 3.1839758149030635
Energy: 0.7234069062591651
Energy: 0.7158512565556197
Energy: 3.2214602761701663
Energy: 0.7252907097518789
Energy: 3.177035635387241
Energy: 0.7749571431706811
Energy: 0.7750926400221005
Energy: 0.7268113715470368
Energy: 0.7264203498290068
Energy: 3.1745557412398635
Energy: 0.7963509127125821
Energy: 0.7254490629861825
Energy: 0.725948150827481
Energy: 0.7181377909378064
Energy: 0.724666449631127
Energy: 5.66250941948438
Energy: 5.634678081012765
Energy: 0.7732045727954854
Energy: 0.7155778265072964
Energy: 0.7244576066531503
Energy: 0.7206758853602386
Energy: 3.1819741965666632
Energy: 3.227984030251768

minimum gb energy = 0.7144658042508572 eV
minimum distance =  0.928011976718008 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

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Energy: 0.7686553163128879
Energy: 0.7751363046204339
Energy: 0.7166966344104585
Energy: 1.845834785265452
Energy: 0.7228473273339198
Energy: 0.8940155550912166
Energy: 0.7708466355211242
Energy: 0.739817994195131
Energy: 0.7605896667465792
Energy: 0.6963358242208145
Energy: 0.7572254618218348
Energy: 0.7436920830872809
Energy: 0.7414487526567816
Energy: 0.7844375331987585
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Energy: 0.7448166887874637
Energy: 1.3174768582612704
Energy: 0.7355153355443739
Energy: 0.8092841901233965
Energy: 0.7515810810535217
Energy: 0.7197616760467169
Energy: 0.7629157911904412
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Energy: 0.7683581137115874
Energy: 0.737246648986485
Energy: 0.748024966757293
Energy: 0.8077299567650325
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Energy: 0.7135154712839984
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Energy: 0.786500498301528
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Energy: 0.7143143094271438
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Energy: 2.148591145159946
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Energy: 0.8179612940025016
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Energy: 0.7233003923730825
Energy: 0.7098763400395571
Energy: 0.7831136225836207
Energy: 0.816787344262218
Energy: 0.7653031892267009
Energy: 0.9161390404491568
Energy: 0.701846889716451
Energy: 0.962959934699975
Energy: 0.7844126279264907
Energy: 0.7580378942039669
Energy: 0.7574720323857942
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Energy: 0.7549713081319801
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Energy: 0.7681069098897997
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Energy: 0.717828265933673
Energy: 0.7765973090450271
Energy: 0.8115320254898518
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Energy: 0.7869498034564444
Energy: 0.8121315105160342
Energy: 0.7872909229460631
Energy: 0.7762036257575733
Energy: 1.950237768038292
Energy: 0.8116409101136913
Energy: 0.7206552818780674
Energy: 0.7630201671785481
Energy: 0.7356410599756507
Energy: 0.8286022070757485
Energy: 0.8124506916692875
Energy: 0.7261457989358693
Energy: 0.7645312059773124
Energy: 0.7326035858800883
Energy: 0.703706423761967
Energy: 0.7346735306137798
Energy: 0.7222558239777523
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Energy: 0.7042087651319975
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Energy: 0.7602586612533736
Energy: 0.8152357873928723
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Energy: 0.7532624684019588
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Energy: 0.8172965819020627
Energy: 0.8478892946969893
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Energy: 0.7159517746418291
Energy: 0.7194356420426716
Energy: 0.740177429424829
Energy: 0.7387656832617198
Energy: 0.7176859557619677
Energy: 0.716163573665426
Energy: 0.7212772547761226
Energy: 0.7253760511242446
Energy: 0.7175133378235166
Energy: 0.7187218436103608
Energy: 0.7170396960639134
Energy: 1.7661204244343025
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Energy: 0.7175496927856113
Energy: 0.7156500667151654
Energy: 0.7101729377819229
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Energy: 0.7490983208841971
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Energy: 0.8624548590679896
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Energy: 0.7260560639698338
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Energy: 0.7027020276824022
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Energy: 0.7164299512316449
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Energy: 1.1161891502391477
Energy: 0.7192921796863623
Energy: 0.7170356905252511
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Energy: 2.0024116521085955
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Energy: 0.7178194669394379
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Energy: 0.7165059090234414
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Energy: 0.715981712300914
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Energy: 0.7259820116219151
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Energy: 0.698185203607541
Energy: 0.7464201041286399
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Energy: 0.7201466108834763
Energy: 0.7405096685405571
Energy: 0.6971195863892272
Energy: 0.7502276138164929
Energy: 0.7154116369814268
Energy: 0.7252008392245575
Energy: 0.7635253739920407
Energy: 0.7591404884004233
Energy: 0.7190833783896668
Energy: 0.9025427248519242
Energy: 0.7222050378131072
Energy: 0.7153337673307273
Energy: 0.7269329931213595
Energy: 0.7187707221431794
Energy: 1.1531962400279443
Energy: 0.7200892114939991
Energy: 0.8171237912095143
Energy: 0.7561397133965174
Energy: 0.7110800173204902
Energy: 0.7018706517926793
Energy: 0.7533649174378722
Energy: 0.8170683716938403
Energy: 0.756357903300226
Energy: 0.708410369065211
Energy: 0.7114378261424236
Energy: 1.1432550587666266
Energy: 0.7766876763983523
Energy: 0.7019407921441984
Energy: 0.7229633904301609
Energy: 0.7244704973113614
Energy: 0.7885789149330427
Energy: 0.7905126178967455
Energy: 0.7112355703838035
Energy: 0.7227016726578013
Energy: 0.7297956907508075
Energy: 0.8018074963079558
Energy: 0.7461120495971781
Energy: 0.7740388670568255
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Energy: 1.864629776629598
Energy: 0.7177335367295516
Energy: 0.7460933883053542
Energy: 0.77363594708002
Energy: 0.7449607572721878
Energy: 0.7326275326013787
Energy: 1.1392153883093938
Energy: 0.9313062917087299
Energy: 0.7527554623429292
Energy: 0.8062415800102131
Energy: 0.7913960166015325
Energy: 0.773140028371076
Energy: 1.1593095053970428
Energy: 0.7539954661317929
Energy: 0.8103091186960419
Energy: 0.7471090913492417
Energy: 0.7622760417900362
Energy: 0.8237473930886521
Energy: 0.8115240535607594
Energy: 0.7243509156319988
Energy: 0.8090943104260645
Energy: 0.7371587244867026
Energy: 0.8228027360487478
Energy: 0.8123770926460141
Energy: 0.7215952295014547
Energy: 0.8053296163241791
Energy: 0.7378237547721069
Energy: 0.7065424530287537
Energy: 0.8281328076884986
Energy: 0.7500628165082118
Energy: 1.6562495286525778
Energy: 0.7916534390740573
Energy: 0.7063953234957646
Energy: 0.8328240982326954
Energy: 0.7657069737795247
Energy: 1.89505858311317
Energy: 0.7947567438350924
Energy: 0.8281992390464084
Energy: 0.8360047463744807
Energy: 0.8470929191648543
Energy: 0.7951432714546903
Energy: 1.5226709134781033
Energy: 0.8296159971019716
Energy: 0.8378780495442671
Energy: 0.8349111250967968
Energy: 0.7746610499789085
Energy: 1.6211434445442119
Energy: 0.7182687852400539
Energy: 0.7144220876807928
Energy: 0.7171758891028324
Energy: 0.716223069353057
Energy: 0.7156443741981815
Energy: 0.7207172860441979
Energy: 0.7150902056073203
Energy: 0.7165536941703234
Energy: 0.7182271411464327
Energy: 0.716472197904356
Energy: 1.8571571844544634
Energy: 0.7602085582230218
Energy: 0.7646906781406982
Energy: 0.7155970518021315
Energy: 0.713499862375549
Energy: 1.5769527185816385
Energy: 0.7885002073126557
Energy: 0.7500493157588687
Energy: 0.7162720912651217
Energy: 0.7141571674328516
Energy: 1.9675964300108348
Energy: 0.7184629826356894
Energy: 0.7116600258082826
Energy: 0.7338158140164242
Energy: 0.7475064517829773
Energy: 1.7687584855427274
Energy: 0.711478401589457
Energy: 0.7206211221599408
Energy: 2.031533298360291
Energy: 1.1751492629674585
Energy: 0.7168396185693178
Energy: 0.7179311294957057
Energy: 0.7493500418131362
Energy: 0.8610646787202518
Energy: 0.7175182574377402
Energy: 0.6993756054386425
Energy: 0.7009506057719045
Energy: 0.7512269949357777
Energy: 0.8623295179820019
Energy: 0.7193065017186544
Energy: 0.7192795895013583
Energy: 0.8914479398607843
Energy: 0.7204026716527798
Energy: 0.7153856079482828
Energy: 0.7165831096027111
Energy: 0.7205945315090951
Energy: 0.9044798276528951
Energy: 0.7152815989843523
Energy: 0.7601837921717558
Energy: 0.7185931620650066
Energy: 0.7180173742421929
Energy: 0.7035949548834631
Energy: 0.8181405957363147
Energy: 0.8178543361174107
Energy: 0.7898940383115194
Energy: 0.7014673849872438
Energy: 0.7026079413605808
Energy: 0.8181461089252423
Energy: 2.118637695669795
Energy: 0.7738432893403421
Energy: 0.7202483178857904
Energy: 1.0252483846801659
Energy: 0.78650278791991
Energy: 0.7276668543655659
Energy: 1.274853875346362
Energy: 0.726944768668587
Energy: 1.0890116899771087
Energy: 0.7651837461336493
Energy: 0.7133360818873294
Energy: 2.1312660934829593

minimum gb energy = 0.693879622731273 eV
minimum distance =  0.903576343286819 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.6920072629391749
Energy: 2.131882564371642
Energy: 0.7555300891907305
Energy: 0.7298659003617461
Energy: 2.1296303956311204
Energy: 0.6886665093009546
Energy: 1.4012897600037229
Energy: 0.7536568056673298
Energy: 0.7856046883000422
Energy: 0.7731015347127593
Energy: 0.7199517102341181
Energy: 0.7269858512220865
Energy: 0.7930863764241358
Energy: 0.7812857304626959
Energy: 0.7375741635788692
Energy: 0.7192483063960469
Energy: 0.7320005266115841
Energy: 0.7001512938646741
Energy: 1.4723572031861778
Energy: 0.6839653054728713
Energy: 0.720592013048257
Energy: 0.7325180470947796
Energy: 0.7355260314440242
Energy: 0.6843800366483879
Energy: 0.7314064881877484
Energy: 0.7203858256598528
Energy: 0.7321463607246002
Energy: 0.734976109257139
Energy: 0.6835041384352154
Energy: 0.7296265628775993
Energy: 0.6835455584848222
Energy: 2.0549768041837986
Energy: 0.729814330702833
Energy: 0.7164981619641269
Energy: 0.7255651964803085
Energy: 0.6839894719224521
Energy: 0.683394215971538
Energy: 0.7256347492788678
Energy: 0.7143598652434623
Energy: 0.6606608769130418
Energy: 1.4799025875319298
Energy: 0.7275501790686468
Energy: 1.363645567657439
Energy: 0.6847565831031888
Energy: 0.6800240669039413
Energy: 0.7661952435403515
Energy: 0.7270337007473785
Energy: 0.6866281667385171
Energy: 0.6871129648849991
Energy: 0.6787927543167993
Energy: 0.7050125450847372
Energy: 0.6861735602347515
Energy: 0.7235997796497189
Energy: 0.7141813017091329
Energy: 0.6784446436685547
Energy: 0.7050010962910624
Energy: 0.6853558983115877
Energy: 0.7234317586792659
Energy: 0.7139647911825197
Energy: 0.6777679161287393
Energy: 0.724939874017558
Energy: 0.7149449460102238
Energy: 1.3150012257530022
Energy: 0.6872894952933587
Energy: 0.7363459824276721
Energy: 0.7235101335268672
Energy: 1.317330912826889
Energy: 1.3210027881225876
Energy: 0.7487423855983771
Energy: 0.7223072876226035
Energy: 0.7306841276937069
Energy: 0.7232845806122633
Energy: 0.682711540000502
Energy: 1.994955217472627
Energy: 0.727313781992957
Energy: 0.7311181973433661
Energy: 0.7233146425427787
Energy: 0.6827000190761494
Energy: 2.055826914394473
Energy: 0.7265924755914368
Energy: 0.6817860919256736
Energy: 0.7349663292901695
Energy: 0.724430853220679
Energy: 0.6697559962764591
Energy: 0.6834176617835694
Energy: 0.6822847335062371
Energy: 0.7352548706389378
Energy: 0.7243454643191974
Energy: 0.6700953957759571
Energy: 0.6823165725197595
Energy: 2.111062970473286
Energy: 0.7532972394061369
Energy: 0.6591888069493433
Energy: 0.6566204648803369
Energy: 1.3743537338075815
Energy: 0.767546955632392
Energy: 0.6877983104689092
Energy: 0.6593680582705512
Energy: 0.7507169722778364
Energy: 0.7244615432449317
Energy: 0.6621684496052208
Energy: 0.660076043896145
Energy: 0.724582044040439
Energy: 2.1139944647516162
Energy: 0.6584962935229906
Energy: 0.6609675765562478
Energy: 0.6570648868095957
Energy: 0.7238031261006647
Energy: 2.114511742549976
Energy: 1.335461048098756
Energy: 0.6620693581353708
Energy: 0.6592134754864722
Energy: 0.6623357520915759
Energy: 0.71625070364333
Energy: 0.6628942703988145
Energy: 0.6595615805371924
Energy: 0.6567165394006326
Energy: 0.6591214799513445
Energy: 0.7151780500423902
Energy: 0.6610094752537061
Energy: 0.6637815669511667
Energy: 0.6613761937986994
Energy: 0.7312309128412994
Energy: 0.7296803781694603
Energy: 0.7276636102203915
Energy: 0.6618317021168526
Energy: 0.6618683711285924
Energy: 0.7331967746347029
Energy: 0.7259795472451605
Energy: 0.7206976782486706
Energy: 2.116479127365529
Energy: 1.4891399339346099
Energy: 0.7486756767577182
Energy: 0.6628857536706428
Energy: 1.38782206799288
Energy: 2.0577747402005095
Energy: 0.6817178692178136
Energy: 0.7507938846441373
Energy: 0.663410554438678
Energy: 0.7032805720782178

minimum gb energy = 0.6566204648803369 eV
minimum distance =  2.49833217917845 Angstroms
sigma value = 33