Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_001
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=3.3602642809003944
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.06278639450866e-19, 2.6499200438043e-19, 3.0794475776133597e-19, 3.4213040060099395e-19, 3.70496937905964e-19, 3.9460328754112796e-19, 4.1539633589717995e-19, 4.3350093186138e-19, 4.49357674008078e-19, 4.63291804193976e-19, 4.755500576207099e-19, 4.86327899837628e-19, 4.95782344154862e-19, 5.040431668797659e-19, 5.1121450949355e-19, 5.17389298240986e-19, 5.22644437600506e-19, 5.2704401463747e-19, 5.3064891206397e-19, 5.335087973556599e-19, 5.356685314582919e-19, 5.371681687877159e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.37030381597192e-19, 5.35229535060576e-19, 5.32472189073462e-19, 5.285869107360119e-19, 5.23362212732538e-19, 5.16548155508136e-19, 5.078355189724439e-19, 4.968542003230079e-19, 4.831459770425039e-19, 4.661420764258619e-19, 4.45142347284024e-19, 4.19262388115022e-19, 3.87383879628324e-19, 3.48079282443036e-19, 2.9950288907678997e-19, 2.3924502587205e-19, 1.6410935044398598e-19, 6.98005874545074e-20, -4.955259958934219e-20, -2.02137012851976e-19, -3.99602078639208e-19, -6.58964034327762e-19, -1.005825662528958e-18, -1.4800314939537417e-18, -2.1462758189064e-18, -3.11512805125254e-18, -4.58810516148678e-18, -6.96430934913852e-18, -1.112867083446498e-17]
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: 0.012680026405064165
Energy: 0.3224039218105936
Energy: 0.3221179472386801
Energy: 0.5903094855283253
Energy: 0.6093632055796514
Energy: 0.2548414485934923
Energy: 0.013233816721976167
Energy: 0.06633839349461204
Energy: 0.6062943093714412
Energy: 0.2905904689465945
Energy: 0.3223110405633217
Energy: 0.32197017134958084
Energy: 0.013273524613975336
Energy: 0.06688649999225865
Energy: 0.01391193384488565
Energy: 0.4498974056143992
Energy: 0.5934634058269904
Energy: 0.32211234816363404
Energy: 0.3220781004535169
Energy: 0.0659496132254133
Energy: 0.06786150878920617
Energy: 0.01453542343509085
Energy: 0.3229937430909886
Energy: 0.5015540453425785
Energy: 0.5903610048155922
Energy: 0.6097390121974625
Energy: 0.06589052101593534
Energy: 0.01311703842928003
Energy: 0.329523071695241
Energy: 0.6058835672597477
Energy: 0.29049632331845116
Energy: 0.32204048966415894
Energy: 0.32209336997821697
Energy: 0.01331769031089562
Energy: 0.06592859332118173
Energy: 0.012881470762916914
Energy: 0.3221601269278674
Energy: 0.5942292944760431
Energy: 0.5029396246784772
Energy: 0.43690352804010074
Energy: 0.06594247131161246
Energy: 0.06735099526056072

minimum gb energy = 0.012680026405064165 eV
minimum distance =  2.83404884267899 Angstroms
sigma value = 5


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

Energy: 0.6984208658192838
Energy: 0.7712407036696198
Energy: 0.7205616168841118
Energy: 0.7149550625420382
Energy: 0.7558928988919421
Energy: 0.7471685645231433
Energy: 0.722111624146457
Energy: 0.6423512696467545
Energy: 0.6904091713083158
Energy: 0.6863656015023321
Energy: 0.686992567656443
Energy: 0.6998534337548661
Energy: 0.6652196322338836
Energy: 0.6791051401597459
Energy: 0.7298295797166126
Energy: 0.6954484686117632
Energy: 0.7289714530206938
Energy: 0.6694531005547528
Energy: 0.6936440580955752
Energy: 0.7298826704652877
Energy: 0.6833597397037406
Energy: 0.6287010489170926
Energy: 0.7140836833937668
Energy: 0.6672155809767211
Energy: 0.7236000007282625
Energy: 0.7288722603028195
Energy: 0.6730999778711705
Energy: 0.7032322940305026
Energy: 0.7200040852698906
Energy: 0.7932151423417035
Energy: 0.6958856037498147
Energy: 0.7098477157524982
Energy: 0.721387962333148
Energy: 0.7363904374579346
Energy: 0.7393322605920257
Energy: 0.6570912032823409
Energy: 0.7546136434373345
Energy: 0.665425546179512
Energy: 0.6890460687936103
Energy: 0.73974418114317
Energy: 0.6493079786110013
Energy: 0.7388080764487898
Energy: 0.7527598051703318
Energy: 0.6881907236451373
Energy: 0.7057752838168564
Energy: 0.6804943274257692
Energy: 0.7093795844236938
Energy: 0.6909509885615589
Energy: 0.7123443722825166
Energy: 0.6663526160554095
Energy: 0.6970710924978576
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Energy: 0.6976293249514661
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Energy: 0.6658877775487669
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Energy: 0.7278715696445588
Energy: 0.7034645052428143
Energy: 0.702624946716781
Energy: 0.6947096462260611
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Energy: 0.7083376941548785
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Energy: 0.7016600152602586
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Energy: 0.6610032655625021
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Energy: 0.7600804761544023
Energy: 0.6668431392825231
Energy: 0.6993022854492246
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Energy: 0.6529616203290105
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Energy: 0.6823560524107638
Energy: 0.7003888156704295
Energy: 0.7305896553398846
Energy: 0.6960968854641555
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Energy: 0.6297201157651305
Energy: 0.6932268417026087
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Energy: 0.7217113354326034
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Energy: 0.6725925580559766
Energy: 0.6751344031637901
Energy: 0.6590324267645263
Energy: 0.7770502024815895
Energy: 0.690688338241705
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Energy: 0.7021013959335651
Energy: 0.6572954078069682
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Energy: 0.6900503014098142
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Energy: 0.648368254973631
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Energy: 0.7192959228770276
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Energy: 0.7117787535071476
Energy: 0.71603695417241
Energy: 0.6898671950146484
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Energy: 0.7050214260653856
Energy: 0.6722316504785815
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Energy: 0.6776632620978377
Energy: 0.7047023585779065
Energy: 0.6897086501807053
Energy: 0.7028081718317206
Energy: 0.6384748216129665
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Energy: 0.7071443162880227
Energy: 0.6842796633449436
Energy: 0.668585092063514
Energy: 0.7184402082316841
Energy: 0.7331984340576819
Energy: 0.743199900781377
Energy: 0.6644502869244857
Energy: 0.6990244946989325
Energy: 0.6426389658341507
Energy: 0.7170556161268296
Energy: 0.7083676163947482
Energy: 0.6379322057265009
Energy: 0.7197762761102212
Energy: 0.7319267863618126
Energy: 0.7590791199265331
Energy: 0.7017011305073764
Energy: 0.7026680970686215
Energy: 0.692243571807453
Energy: 0.7140450180729384
Energy: 0.6909546048936825
Energy: 0.6304770099980319
Energy: 0.6616175609808863
Energy: 0.659265620684399
Energy: 0.7196093870247557
Energy: 0.7543162866353917
Energy: 0.6517399117173146
Energy: 0.7542360822872152
Energy: 0.7018283037799681
Energy: 0.6719421346962678
Energy: 0.7075719301104965
Energy: 0.6606112783104171
Energy: 0.6823733273541085
Energy: 0.7311121332249335
Energy: 0.6424385378006268
Energy: 0.6352800111304959
Energy: 0.6830652880317007
Energy: 0.6479146229730512
Energy: 0.7752882910524673
Energy: 0.7010233676340335
Energy: 0.6788419102724584
Energy: 0.6815729255404015
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Energy: 0.7551223477966456
Energy: 0.7272479454597118
Energy: 0.7086272552696186
Energy: 0.7349364393910931
Energy: 0.6873259834035536
Energy: 0.7597160071120889

minimum gb energy = 0.613031472219039 eV
minimum distance =  2.53610713272346 Angstroms
sigma value = 401


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

Energy: 0.6992579391520626
Energy: 0.6984628341269452
Energy: 0.7247860388686582
Energy: 0.7909864350900818
Energy: 0.8041253684509881
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Energy: 0.6865120496917477
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Energy: 0.6493562698402043
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Energy: 0.7070065158423651
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Energy: 0.6863344855835992
Energy: 0.6965231959953385
Energy: 0.751816933743608
Energy: 0.7209190301880175
Energy: 0.7460275080796812
Energy: 0.648623346134099
Energy: 0.6951967548141008
Energy: 0.7087620906348121
Energy: 0.6570403140376149
Energy: 0.628227805593419
Energy: 0.6887543802225922
Energy: 0.7533745965780735
Energy: 0.6853488526808379
Energy: 0.6973503651273512
Energy: 0.6766340449718624
Energy: 0.6479150077600659
Energy: 0.7285021893773308
Energy: 0.6837812255811643
Energy: 0.6652674069361495
Energy: 0.6629800989974007
Energy: 0.6853402921243877
Energy: 0.6520359207977711
Energy: 0.728877660825059
Energy: 0.6941623476051603
Energy: 0.6381202584411274
Energy: 0.6662544379994747
Energy: 0.6829734443372891
Energy: 0.7490870904014816
Energy: 0.8124665196215455
Energy: 0.7349776050735359
Energy: 0.7117037390327384
Energy: 0.6520114704322719
Energy: 0.6529034716944572
Energy: 0.6536020071473526
Energy: 0.6619566371963016
Energy: 0.6700325060733646
Energy: 0.6531168701019925
Energy: 0.7069935625729464
Energy: 0.6360081899157068
Energy: 0.6525841031298725
Energy: 0.6870465065483423
Energy: 0.7600210086393723
Energy: 0.6728005560925902
Energy: 0.7324011576994942
Energy: 0.7085866256667305
Energy: 0.6759504207745604
Energy: 0.641746243069938
Energy: 0.6528634515033923
Energy: 0.6562835863447511
Energy: 0.6967757691165087
Energy: 0.7504847750848378
Energy: 0.6784157959726043
Energy: 0.6418852761491246
Energy: 0.7206311815507237
Energy: 0.682577357808466
Energy: 0.7075139502719929
Energy: 0.6730918764439309
Energy: 0.6545836445681207
Energy: 0.7122839979221671
Energy: 0.6571081007006985
Energy: 0.6261672318436623
Energy: 0.6865482898176706
Energy: 0.6537487277971628
Energy: 0.6712718716466307
Energy: 0.6553121563358687
Energy: 0.6486386046807173
Energy: 0.7123648229154319
Energy: 0.7297932210115642
Energy: 0.6620669912933026
Energy: 0.6983807024453508
Energy: 0.691261897056142
Energy: 0.6978149379067958
Energy: 0.7506208674117867
Energy: 0.7466082986945003
Energy: 0.6391272838818919
Energy: 0.6721266867057027
Energy: 0.6460027830145645
Energy: 0.6869274376804384
Energy: 0.6469820488624014
Energy: 0.6417264115419471
Energy: 0.708416803704249
Energy: 0.7469195929613958
Energy: 0.7073214896303146
Energy: 0.6929132817162923
Energy: 0.683518310923835
Energy: 0.6482843210633432
Energy: 0.7237581404291933
Energy: 0.6974109876771714
Energy: 0.6684111707241219
Energy: 0.6628425081237405
Energy: 0.6531165559831394
Energy: 0.6694045752533393
Energy: 0.7062853516507499
Energy: 0.7623640669314715
Energy: 0.6368894500316135
Energy: 0.6820857557064738
Energy: 0.6695939318265186
Energy: 0.7477301380816008
Energy: 0.682953611804318
Energy: 0.6992440788462896
Energy: 0.7043624941274226
Energy: 0.6445596649957002
Energy: 0.6316268483678831
Energy: 0.6548169726204315
Energy: 0.6589491837709579
Energy: 0.6333929968144018
Energy: 0.6624669552289231
Energy: 0.637410685511542
Energy: 0.6483730859436936

minimum gb energy = 0.6261672318436623 eV
minimum distance =  2.51645513220882 Angstroms
sigma value = 311


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

Energy: 0.7235257673989102
Energy: 0.6631468714646085
Energy: 0.6974420304037856
Energy: 0.6601869830051269
Energy: 0.7027884581347614
Energy: 0.7067593294958207
Energy: 0.7209838328281831
Energy: 0.6577125195718329
Energy: 0.675165337606875
Energy: 0.6386354158744733
Energy: 0.6598541940787579
Energy: 0.6621622463432633
Energy: 0.6441919125990253
Energy: 0.7097726739276086
Energy: 0.6809722413660965
Energy: 0.6605082091562439
Energy: 0.6765782893146027
Energy: 0.6720493303877385
Energy: 0.6355183570621589
Energy: 0.6748024671788103
Energy: 0.6753961031894312
Energy: 0.6944041046502928
Energy: 0.702653699000791
Energy: 0.6837498579413767
Energy: 0.7108201095843466
Energy: 0.7141919209234204
Energy: 0.6720511737693036
Energy: 0.7175199521515713
Energy: 0.6745185648068328
Energy: 0.7366303458296473
Energy: 0.6724957786297464
Energy: 0.7055051421822895
Energy: 0.6834176047867977
Energy: 0.6587039228145388
Energy: 0.6913551153235976
Energy: 0.6439995099939836
Energy: 0.6838679102724153
Energy: 0.6458543079467796
Energy: 0.6774782113060347
Energy: 0.6757637994870388
Energy: 0.6378267462863977
Energy: 0.6823311538872109
Energy: 0.7062198092164547
Energy: 0.7199793673594294
Energy: 0.7031149775581071
Energy: 0.6482285152635825
Energy: 0.6766756399372882
Energy: 0.7084159914033717
Energy: 0.6932890890262217
Energy: 0.6382527048288452
Energy: 0.6619583055349725
Energy: 0.6401415632747234
Energy: 0.6887994558684631
Energy: 0.6369128849422183
Energy: 0.6415818252797747
Energy: 0.6824060076897289
Energy: 0.6925643800183295
Energy: 0.6593814011130964
Energy: 0.662043543959312
Energy: 0.6418555960130728
Energy: 0.6811203671515434
Energy: 0.6635488461580017
Energy: 0.6857478831233
Energy: 0.6443248882856439
Energy: 0.7120360426768944
Energy: 0.6797956246032791
Energy: 0.7007254804053137
Energy: 0.7081531516863092
Energy: 0.7131502789065075
Energy: 0.6669107639702436
Energy: 0.687301485150295
Energy: 0.717881926971426
Energy: 0.6392409088928547
Energy: 0.715146168528163
Energy: 0.7105510811896868
Energy: 0.7121329793614543
Energy: 0.7044596776529174
Energy: 0.6453954350476845
Energy: 0.6811452762469336
Energy: 0.6370307527819082
Energy: 0.6932401546079663
Energy: 0.6673402874959313
Energy: 0.6350382175012248
Energy: 0.6898667848552066
Energy: 0.7064736342966847
Energy: 0.6988619663620229
Energy: 0.7026783020566364
Energy: 0.6765262358875896
Energy: 0.7186263422119225
Energy: 0.7079049007410221
Energy: 0.6912443887967726
Energy: 0.64466120634019
Energy: 0.7239087118132317
Energy: 0.6856418575344966
Energy: 0.6490955364629962
Energy: 0.638992106777537
Energy: 0.6366151705649771
Energy: 0.6650073176144999
Energy: 0.6696772813954492
Energy: 0.6825637450480184
Energy: 0.6966989541889301
Energy: 0.6721276369709273
Energy: 0.6689522421507733
Energy: 0.6697359245453177
Energy: 0.6769050596836477
Energy: 0.6638396635312779
Energy: 0.7070482121557371
Energy: 0.6436372790831439
Energy: 0.6856856796879266
Energy: 0.7037847916029792
Energy: 0.6657887557533567
Energy: 0.6722705065823457
Energy: 0.6916062634527013
Energy: 0.7162979380730311
Energy: 0.7166837421003804
Energy: 0.7021817826163371
Energy: 0.7205788494642746
Energy: 0.7392510515151666
Energy: 0.696678157044927
Energy: 0.6297373097879225
Energy: 0.6954525442428842
Energy: 0.6409272559653799
Energy: 0.6767094155533581
Energy: 0.674400871471907
Energy: 0.6573567021061484
Energy: 0.6655955961593814
Energy: 0.6998273311039548
Energy: 0.6728953543934584
Energy: 0.702380142111615
Energy: 0.6425496385890904
Energy: 0.698191831433534
Energy: 0.7046685420755413
Energy: 0.6636814688707258
Energy: 0.6385052272495177
Energy: 0.7144534419078367
Energy: 0.7129671160041362
Energy: 0.673686469337741
Energy: 0.7023497997163282
Energy: 0.7110677335177595
Energy: 0.6345645020038478
Energy: 0.7089284674029789
Energy: 0.6652951318800797
Energy: 0.6747230140369374
Energy: 0.6334228915763516
Energy: 0.7011000212521962
Energy: 0.6868415364916153
Energy: 0.6788687284496719
Energy: 0.6423346388978213
Energy: 0.6927080987800984
Energy: 0.6501162347235535
Energy: 0.685243567456388
Energy: 0.6679856155519732
Energy: 0.6660712912416662
Energy: 0.6780947468079889
Energy: 0.7285687362532437
Energy: 0.766987433498401
Energy: 0.7244018115346935
Energy: 0.6937608533592418
Energy: 0.7116481731638878
Energy: 0.705636577647624
Energy: 0.7322270570939332
Energy: 0.6649032462334071
Energy: 0.709975310214606
Energy: 0.6391362875521143
Energy: 0.7140339864006722
Energy: 0.6809483637892786
Energy: 0.6603187635701838
Energy: 0.6952137088607258
Energy: 0.7072100631126036
Energy: 0.6841645294288248
Energy: 0.7038770854359989
Energy: 0.689655957158659
Energy: 0.6769404044595606
Energy: 0.7036566489359941
Energy: 0.6898729951608791
Energy: 0.6945753515361869
Energy: 0.706210957256387
Energy: 0.6398142664016326
Energy: 0.6821856831630742
Energy: 0.6663793779008658
Energy: 0.6744253417188276
Energy: 0.6526459660283843
Energy: 0.6873573865044064
Energy: 0.6709890935513957
Energy: 0.681095437590014
Energy: 0.6405108821055765
Energy: 0.6837283977706262
Energy: 0.6971742214028969
Energy: 0.6845223186117961
Energy: 0.651048460119921
Energy: 0.7045780844582739
Energy: 0.6482787550533663
Energy: 0.660136767992837
Energy: 0.6693188766351184
Energy: 0.6698573050215438
Energy: 0.6865863076843286
Energy: 0.6914294387994919
Energy: 0.7273137232166934
Energy: 0.7197093339950262
Energy: 0.7164220139891145
Energy: 0.7101177438067703
Energy: 0.7131885963776
Energy: 0.6986183576488912
Energy: 0.6756241613941943
Energy: 0.7216196514763581
Energy: 0.7073402595618575
Energy: 0.7212874041706202
Energy: 0.6968851661269709
Energy: 0.7090691365503664
Energy: 0.67665686636847
Energy: 0.7023291184097996
Energy: 0.664308699483317
Energy: 0.6397664955176168
Energy: 0.6670965424114944
Energy: 0.6665923899063391
Energy: 0.6371838400838601
Energy: 0.6766484251451981
Energy: 0.6797381066995929
Energy: 0.6756205822367226
Energy: 0.6920923977925634
Energy: 0.7118500397416468
Energy: 0.6734383060404312
Energy: 0.6543101245715476
Energy: 0.6860418107734737
Energy: 0.6847021308651944
Energy: 0.6644171071808449
Energy: 0.6872235173902353
Energy: 0.7047137002977286
Energy: 0.6629395313482433
Energy: 0.6888768237573785
Energy: 0.6673323145451454
Energy: 0.671929644034728
Energy: 0.670625504950041
Energy: 0.6391480202631401
Energy: 0.6809318054480618
Energy: 0.6932606668657569
Energy: 0.6429407712583614
Energy: 0.6803886539249213
Energy: 0.6536683178172883
Energy: 0.7132099150271013
Energy: 0.715574752543319
Energy: 0.7190022459156845
Energy: 0.7239064190265473
Energy: 0.7439576650877179
Energy: 0.695773005638532
Energy: 0.6957301290849323
Energy: 0.7073114944090757
Energy: 0.7029791158558166
Energy: 0.6900634618974082
Energy: 0.7176991691624424
Energy: 0.7036881952783358
Energy: 0.6926628276312312

minimum gb energy = 0.6297373097879225 eV
minimum distance =  2.54023913802432 Angstroms
sigma value = 39


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

Energy: 0.6262503044437948
Energy: 0.6958763966749121
Energy: 0.75393483132931
Energy: 0.7625932252795405
Energy: 0.6386977824547733
Energy: 0.6867428402739201
Energy: 0.6235357528497015
Energy: 0.6510762807360454
Energy: 0.6716018900688282
Energy: 0.6916513631154884
Energy: 0.6406082136124012
Energy: 0.639983615972702
Energy: 0.6654287130194566
Energy: 0.6761708919972538
Energy: 0.6536035467403155
Energy: 0.6332213406547403
Energy: 0.6829137834137811
Energy: 0.6396375596649011
Energy: 0.6409896018871793
Energy: 0.6599326684889275
Energy: 0.6770261552910917
Energy: 0.6474124060038647
Energy: 0.6479097228684431
Energy: 0.6782750855618987
Energy: 0.6827519267458505
Energy: 0.6389443851698207
Energy: 0.6785374988103661
Energy: 0.6743057562062648
Energy: 0.6591840528573439
Energy: 0.6322773008383704
Energy: 0.6704416319919023
Energy: 0.6675860714548976
Energy: 0.645631813336772
Energy: 0.6814251138751484
Energy: 0.6541701204392658
Energy: 0.6216742245259536
Energy: 0.634012693906452
Energy: 0.689551882614927
Energy: 0.7549183604934283
Energy: 0.6751979099971589
Energy: 0.6564161914651746
Energy: 0.6746108612720638
Energy: 0.7655365115895126
Energy: 0.6321531866153637
Energy: 0.7334655679461349
Energy: 0.7088291310094719
Energy: 0.6217465981796132
Energy: 0.6244952532110202
Energy: 0.6749759273269647
Energy: 0.6231314944994691
Energy: 0.6736226361968329
Energy: 0.7448565931710339
Energy: 0.7276612109371302
Energy: 0.6923507635647025
Energy: 0.6793369252337815
Energy: 0.6748829715201904
Energy: 0.623498924712354
Energy: 0.6734170781278307
Energy: 0.7369680746699063
Energy: 0.6551075642274928
Energy: 0.6397789168795781
Energy: 0.6897074192136501
Energy: 0.6756400866453847
Energy: 0.7655191747774821
Energy: 0.6333862369818337
Energy: 0.677536914775217
Energy: 0.6389952015750585
Energy: 0.6440336970817078
Energy: 0.652451389219372
Energy: 0.6738072201140737
Energy: 0.6463178878583896
Energy: 0.6329912753069628
Energy: 0.6766156209781186
Energy: 0.6814211640869376
Energy: 0.6394411607501672
Energy: 0.6563803750302615
Energy: 0.6751209542948183
Energy: 0.6594837445582307
Energy: 0.6334181807681821
Energy: 0.6628977219520967
Energy: 0.6323798397774241
Energy: 0.6392336911219825
Energy: 0.6922844095610131
Energy: 0.6746074545992126
Energy: 0.6227405180136617
Energy: 0.6324211846588411
Energy: 0.6835251481639832
Energy: 0.6902126053412061
Energy: 0.6764156356173981
Energy: 0.6814656849471467
Energy: 0.6528994773179877
Energy: 0.7644949526359015
Energy: 0.6544558319663204
Energy: 0.7365762470314114
Energy: 0.7084647539273263
Energy: 0.6225673515726086
Energy: 0.622072020155216
Energy: 0.6754184513391062
Energy: 0.622143906035866
Energy: 0.671240188541049
Energy: 0.7460713630583814
Energy: 0.7080606209020536
Energy: 0.622166125552836
Energy: 0.621447216488543
Energy: 0.6758210501500453
Energy: 0.6222602808932278
Energy: 0.6977832030522061
Energy: 0.7364144791911651
Energy: 0.6477811333443809
Energy: 0.6637172224853892
Energy: 0.679015647613447
Energy: 0.623209729852962
Energy: 0.6507603939190029
Energy: 0.6716106366768944
Energy: 0.6915914579050856
Energy: 0.6405871163481109
Energy: 0.6400198287282817
Energy: 0.6651842719184483
Energy: 0.6764012795896375
Energy: 0.668557874586032
Energy: 0.6328334197985013
Energy: 0.6715257550029332
Energy: 0.6396375477640998
Energy: 0.6411405396499197
Energy: 0.6599324389419043
Energy: 0.6746634005158685
Energy: 0.64718521563453
Energy: 0.6320713367055597
Energy: 0.6783443879676808
Energy: 0.6800535161262025
Energy: 0.6389176471705309
Energy: 0.6786364724592796
Energy: 0.6770919881271154
Energy: 0.65938976095691
Energy: 0.632258385972902
Energy: 0.6709367261641889
Energy: 0.6679158401533383
Energy: 0.6458679962914537
Energy: 0.6883739461201548
Energy: 0.6543215973561357
Energy: 0.6217105074160184
Energy: 0.632016696720009
Energy: 0.6896158384470675
Energy: 0.7549473232333672
Energy: 0.6958275019702415
Energy: 0.6216945813083056
Energy: 0.6748406442632463
Energy: 0.7651423856632601
Energy: 0.6319928883384532
Energy: 0.7453762486999639
Energy: 0.7089503261554378
Energy: 0.6246027469668664
Energy: 0.6244226471198281
Energy: 0.6748937876344837
Energy: 0.6227083580518422
Energy: 0.6740445560923257
Energy: 0.745127853568752
Energy: 0.7277154392364299
Energy: 0.6930138057810417
Energy: 0.6795957007330732
Energy: 0.6750267414566851
Energy: 0.6238114711623651
Energy: 0.6733814857179692
Energy: 0.7372202285166054
Energy: 0.6550428481082268
Energy: 0.6397767070447647
Energy: 0.6898585890327915
Energy: 0.6751881277800484
Energy: 0.76587764413324
Energy: 0.634583183315862
Energy: 0.677209907676005
Energy: 0.6389472698260509
Energy: 0.6438243234119259
Energy: 0.6523635546694232
Energy: 0.673913341897093
Energy: 0.647126956199364
Energy: 0.6331763222855614
Energy: 0.6765282220036443
Energy: 0.681016191002744
Energy: 0.6397021841917003
Energy: 0.6771240287241173
Energy: 0.6757607656605146
Energy: 0.659339953096441
Energy: 0.6333701175995153
Energy: 0.6628382557461132
Energy: 0.6325870907195912
Energy: 0.6391211280556335
Energy: 0.6925093090165122
Energy: 0.6744956727951312
Energy: 0.6229781985872671
Energy: 0.6321220611541051
Energy: 0.6967859217798764
Energy: 0.6902950873626283
Energy: 0.6762384396601149
Energy: 0.6810769316027625
Energy: 0.6525985004443551
Energy: 0.7644200634630673
Energy: 0.6551624025622761
Energy: 0.7366342628467992
Energy: 0.7082654387822505
Energy: 0.6225834211159597
Energy: 0.6221942631641889
Energy: 0.6755989049447302
Energy: 0.622087186265981
Energy: 0.674087791005706
Energy: 0.7471133784992131
Energy: 0.7235492104508894
Energy: 0.6223199110344709
Energy: 0.6214873470434512
Energy: 0.6759043864240254

minimum gb energy = 0.621447216488543 eV
minimum distance =  2.53920297726814 Angstroms
sigma value = 21


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

Energy: 0.783414894478644
Energy: 0.7420192725489794
Energy: 0.7582746845855438
Energy: 0.6976602911941354
Energy: 0.6584380263738026
Energy: 0.7459543329483638
Energy: 0.7030271821170925
Energy: 0.6682599417866395
Energy: 0.6886585194462093
Energy: 0.765543925842609
Energy: 0.7446162890401323
Energy: 0.7509892984581591
Energy: 0.7486902139163399
Energy: 0.7276731351226807
Energy: 0.74559039961923
Energy: 0.6426035256611974
Energy: 0.6558594879924202
Energy: 0.7633027585233204
Energy: 0.7532845344410857
Energy: 0.6499110152916993
Energy: 0.7140438533243866
Energy: 0.6494960692798883
Energy: 0.7086893468070604
Energy: 0.6898857604955866
Energy: 0.6440996518340262
Energy: 0.6287831573115724
Energy: 0.6556421033682506
Energy: 0.701987267775645
Energy: 0.6497337400614791
Energy: 0.6853552013769597
Energy: 0.6259236448113729
Energy: 0.6249810961429715
Energy: 0.6515068781459675
Energy: 0.6534692823710718
Energy: 0.6462086506235033
Energy: 0.6277954880245694
Energy: 0.6303117307300938
Energy: 0.6835386267961525
Energy: 0.6798703190925879
Energy: 0.6345501312426979
Energy: 0.671817994696596
Energy: 0.6387802518807785
Energy: 0.7788767178831949
Energy: 0.6317671125555386
Energy: 0.6760250560388945
Energy: 0.6443760840489609
Energy: 0.6445866284223026
Energy: 0.6285513160486593
Energy: 0.6337120769935125
Energy: 0.6814488797114443
Energy: 0.6239041855371394
Energy: 0.6561042001447478
Energy: 0.6959201542088932
Energy: 0.6425974854599825
Energy: 0.6506750318202117
Energy: 0.6496253175928232
Energy: 0.6748462690904888
Energy: 0.658249515644318
Energy: 0.7333875649905947
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Energy: 0.7989058035429147
Energy: 0.7483079138545344
Energy: 0.7515174393068583
Energy: 0.7016783921652759
Energy: 0.6608754054658895
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Energy: 0.659139349274651
Energy: 0.7458969220254253
Energy: 0.7455497824577184
Energy: 0.6644574158986668
Energy: 0.6660251569059089
Energy: 0.6718508984345226
Energy: 0.6539753486084723
Energy: 0.6693517973422596
Energy: 0.6332283087376408
Energy: 0.6918967615576073
Energy: 0.7647400410780157
Energy: 0.659845436744732
Energy: 0.7309824537583575
Energy: 0.8160792991055148
Energy: 0.7362209689486927
Energy: 0.7315772828127967
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Energy: 0.6822893961029889
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Energy: 0.6628188228605704
Energy: 0.6550465906845352
Energy: 0.6972607737985037
Energy: 0.6277460707381302
Energy: 0.6572553213398604
Energy: 0.7112088819104468
Energy: 0.6583187996168759
Energy: 0.6808465044594014
Energy: 0.7174087987366357
Energy: 0.7232806242234678
Energy: 0.7539852851896791
Energy: 0.6427913201456764
Energy: 0.6610225800484452
Energy: 0.7534467038512607
Energy: 0.7610301709472562
Energy: 0.7426523317709433
Energy: 0.7373130162425003
Energy: 0.7140001034462949
Energy: 0.6425627241550936
Energy: 0.6779168423408377
Energy: 0.693699222286306
Energy: 0.6593395739778062
Energy: 0.6596972060779671
Energy: 0.7913484126796287
Energy: 0.64967207625975
Energy: 0.705954857489753
Energy: 0.6813224490592241
Energy: 0.6540036569433038
Energy: 0.6376092801155131
Energy: 0.6528960461777118
Energy: 0.6387534359902126
Energy: 0.627825140189961
Energy: 0.6437002197380224
Energy: 0.6450420232153944
Energy: 0.6792585346837737
Energy: 0.6324035858695474
Energy: 0.6746106263003823
Energy: 0.670026450398359
Energy: 0.6281709993787946
Energy: 0.6319672050026787
Energy: 0.6995815085032372
Energy: 0.6629500028576425
Energy: 0.6409695506295102
Energy: 0.6285891758820645
Energy: 0.6413685477129407
Energy: 0.7535563385594853
Energy: 0.6244236568851926
Energy: 0.6977903180594828
Energy: 0.650280600074663
Energy: 0.7006380120055805
Energy: 0.6515283975017114
Energy: 0.6540663727601596
Energy: 0.6769296793258758
Energy: 0.6436134874807111
Energy: 0.7640512888834597
Energy: 0.7467249241603877
Energy: 0.7565523968808155
Energy: 0.651208007475215
Energy: 0.6732458900448445
Energy: 0.6337118270482016
Energy: 0.7459168403570917
Energy: 0.6599485862747643
Energy: 0.654581055507949
Energy: 0.6399464021451331
Energy: 0.7131909897289251
Energy: 0.7025157222185177
Energy: 0.7198183979515572
Energy: 0.6407399857853051
Energy: 0.7423038535413438
Energy: 0.7316278345039339
Energy: 0.6766592098822722
Energy: 0.7454539354072282
Energy: 0.7518952766035665
Energy: 0.7407373049084534
Energy: 0.6444863907968109
Energy: 0.6982518798840832
Energy: 0.817318698641759
Energy: 0.7309000287225198
Energy: 0.6290604404941174
Energy: 0.752428355536213
Energy: 0.6278437569261748
Energy: 0.67596853595549
Energy: 0.7405859279029078
Energy: 0.6587048207435707
Energy: 0.6764056562674391
Energy: 0.68442026944736
Energy: 0.7235174353669684

minimum gb energy = 0.6239041855371394 eV
minimum distance =  2.50623605675513 Angstroms
sigma value = 113


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

Energy: 0.7564255378291964
Energy: 0.8326512332595017
Energy: 0.8011900879404483
Energy: 0.8144516487931489
Energy: 0.7894574433158914
Energy: 0.7890746112095358
Energy: 0.8369534973092652
Energy: 0.8182738661147507
Energy: 0.7913785761746096
Energy: 0.7654822035730884
Energy: 0.8240478548864868
Energy: 0.8100110263118324
Energy: 0.7760763070734585
Energy: 0.806086309134137
Energy: 0.8385647065458924
Energy: 0.7677842661408322
Energy: 0.7664893580524788
Energy: 0.7809579231612462
Energy: 0.8037714764009807
Energy: 0.7816526752848154
Energy: 0.7923024845209385
Energy: 0.7473857614354089
Energy: 0.7987724404782965
Energy: 0.7751887249646922
Energy: 0.8066339975336125
Energy: 0.7956038980063173
Energy: 0.7622474265923572
Energy: 0.8013268180419364
Energy: 0.7361009991384253
Energy: 0.7872307536537333
Energy: 0.7354325145577781
Energy: 0.8092402290026206
Energy: 0.8117430125768907
Energy: 0.7526361970523026
Energy: 0.7735208644889289
Energy: 0.7147732572971273
Energy: 0.752494171703102
Energy: 0.7678398990841581
Energy: 0.7352446719371456
Energy: 0.7219022909264272
Energy: 0.7153701108548721
Energy: 0.7640731684209117
Energy: 0.7724318633349216
Energy: 0.7895190638373022
Energy: 0.6945575778554067
Energy: 0.7624319249015076
Energy: 0.7753406286227356
Energy: 0.7618378176545416
Energy: 0.7442598500450005
Energy: 0.7990068161251747
Energy: 0.6939785053240609
Energy: 0.7576608500756823
Energy: 0.7800410337341498
Energy: 0.7676734603890462
Energy: 0.7391643440069697
Energy: 0.7072047986792974
Energy: 0.6632054362796467
Energy: 0.7221063660193826
Energy: 0.7801026337210254
Energy: 0.7765900677171345
Energy: 0.7344672570851689
Energy: 0.7645243386227495
Energy: 0.727920885529391
Energy: 0.7443788798910097
Energy: 0.7328701639824479
Energy: 0.7427456641839452
Energy: 0.7052335744135398
Energy: 0.7982539685323514
Energy: 0.7528667849551439
Energy: 0.7265272494366194
Energy: 0.750783038096135
Energy: 0.7178049031360837
Energy: 0.7662530778171315
Energy: 0.7175437077903583
Energy: 0.7237682704837443
Energy: 0.7433131920540301
Energy: 0.7127625822170507
Energy: 0.7015947035327902
Energy: 0.7642933067573197
Energy: 0.7781156877387613
Energy: 0.7670768981517238
Energy: 0.763026579864852
Energy: 0.7768517942193528
Energy: 0.7635836445825636
Energy: 0.7218226370299905
Energy: 0.6894774356759374
Energy: 0.7302428832607245
Energy: 0.7581393570049672
Energy: 0.758412997856663
Energy: 0.7400336640102586
Energy: 0.6996729923235516
Energy: 0.7480817037299174
Energy: 0.7373610585535119
Energy: 0.7380407486299276
Energy: 0.7417356398566428
Energy: 0.6770509318570702
Energy: 0.7278487901754892
Energy: 0.7371736842241416
Energy: 0.6924197175641789
Energy: 0.7552258712907932
Energy: 0.7543351314855461
Energy: 0.7067653663309112
Energy: 0.7426529961757007
Energy: 0.7409712993839138
Energy: 0.7533916264729436
Energy: 0.7447207874403593
Energy: 0.7466030872724836
Energy: 0.7591866539472312
Energy: 0.7537786111836055
Energy: 0.7601889898021912
Energy: 0.7864757181101185
Energy: 0.748486851439889
Energy: 0.7505392676913396
Energy: 0.7483901261992429
Energy: 0.7491601095639983
Energy: 0.7908591997684183
Energy: 0.7741914691848576
Energy: 0.7793852477160846
Energy: 0.7703674360764857
Energy: 0.7571412651538502
Energy: 0.7755340178114394
Energy: 0.7503829066768795
Energy: 0.753271345931034
Energy: 0.7429198482890857
Energy: 0.7796208821645098
Energy: 0.7650931321614048
Energy: 0.7555225920004296
Energy: 0.8095281957257261
Energy: 0.7701335425280148
Energy: 0.8185468934491643
Energy: 0.8007558653281601
Energy: 0.7760227017495865
Energy: 0.805838471636417
Energy: 0.7346143783629785
Energy: 0.7785540997175276
Energy: 0.7602367261602739
Energy: 0.8089289409995921
Energy: 0.7959033546937689
Energy: 0.7557939614999382
Energy: 0.7846893627439128
Energy: 0.823112727121125
Energy: 0.775769902406224
Energy: 0.759049311470334
Energy: 0.8296685068058413
Energy: 0.7944025206276968
Energy: 0.7495803212878919
Energy: 0.7577094262709709
Energy: 0.8164001323292569
Energy: 0.7615648130907325
Energy: 0.7651524017334751
Energy: 0.8124038282510128
Energy: 0.798714232333603
Energy: 0.7437753211898978
Energy: 0.7546659569478489
Energy: 0.7349048215124155
Energy: 0.7875038702404497
Energy: 0.8023769469947409
Energy: 0.8089157178507694
Energy: 0.8053161931876349
Energy: 0.7993043343632978
Energy: 0.7872407707819075
Energy: 0.8073204287454258
Energy: 0.8160943206333624
Energy: 0.7601730791924775
Energy: 0.8209217397577279
Energy: 0.8071913389554898
Energy: 0.7801280734135468
Energy: 0.785035803595306
Energy: 0.7751564563249771
Energy: 0.7751938077559161
Energy: 0.7661952561812736
Energy: 0.7810603474248673
Energy: 0.7794530706131305
Energy: 0.7904005769886696
Energy: 0.7609364972785986
Energy: 0.7391660207628884
Energy: 0.7994403086065004
Energy: 0.7607242854491212
Energy: 0.7876827724688351
Energy: 0.7968727857536353
Energy: 0.7637872892798276
Energy: 0.7666489404938666
Energy: 0.7333823791219316
Energy: 0.7844199344123455
Energy: 0.7609205273349177
Energy: 0.7612516231012157
Energy: 0.7676175042548137
Energy: 0.7646820895039659
Energy: 0.7715845191635979
Energy: 0.7153190599860797
Energy: 0.7600409319942828
Energy: 0.7542896801293771
Energy: 0.7509472925790015
Energy: 0.7021863776087928
Energy: 0.7279714469539815
Energy: 0.7653583243822318
Energy: 0.7731612539554306
Energy: 0.7656942697509448
Energy: 0.7759218557226926
Energy: 0.7590470277431279
Energy: 0.7761538795191626
Energy: 0.7439653628890569
Energy: 0.7459713868163222
Energy: 0.7479176632691977
Energy: 0.692282045106408
Energy: 0.7245669483683803
Energy: 0.779722919740739
Energy: 0.7832264751947613
Energy: 0.7116954683087405
Energy: 0.6972186963941527
Energy: 0.6806900047489968
Energy: 0.7618642816454249
Energy: 0.7878117834395811
Energy: 0.7419731180298557
Energy: 0.7449665157408285
Energy: 0.7650423338731057
Energy: 0.7780925019253223
Energy: 0.7384840980159215
Energy: 0.7334787529106696
Energy: 0.7505293725919087
Energy: 0.6924070978152461
Energy: 0.7818131643636208
Energy: 0.7585974288973522
Energy: 0.7316780974339467
Energy: 0.7520042792293883
Energy: 0.7172718611669593
Energy: 0.749838765853726
Energy: 0.7175405388695781
Energy: 0.7039601131182802
Energy: 0.7378571028556133
Energy: 0.7177635780204756
Energy: 0.6868604982238674
Energy: 0.7038765558406205
Energy: 0.7782901898091964
Energy: 0.7494197965624351
Energy: 0.7551069586071221
Energy: 0.7753475066073894
Energy: 0.705080517615191
Energy: 0.7209178915091159
Energy: 0.6875846208183628
Energy: 0.7316382860224442
Energy: 0.7597225726287299
Energy: 0.7705159452391043
Energy: 0.7394247018306633
Energy: 0.6900618189253407
Energy: 0.7676615128999169
Energy: 0.7396438281173658
Energy: 0.7922775305606115
Energy: 0.7638793555638145
Energy: 0.6777291760103694
Energy: 0.7469324515113603
Energy: 0.7363753791718896
Energy: 0.682822351788126
Energy: 0.7473955422288378
Energy: 0.7417418384752472
Energy: 0.7047832988985375
Energy: 0.6891548971830055
Energy: 0.7403675679978623
Energy: 0.755652349832152
Energy: 0.7448466597796006
Energy: 0.7499635515650891
Energy: 0.7167706498853351
Energy: 0.767007101903837
Energy: 0.746018671475387
Energy: 0.7642362989243308
Energy: 0.7442841663089672
Energy: 0.7290734552411238
Energy: 0.7875677491550322
Energy: 0.7480090349882322
Energy: 0.7900586530875559
Energy: 0.7769313054734992
Energy: 0.7512180558968728
Energy: 0.7756481326475114
Energy: 0.7503241022226185
Energy: 0.7493259599897271
Energy: 0.7451926303444215
Energy: 0.7534006465965751
Energy: 0.7932456347603999
Energy: 0.7729050247143368
Energy: 0.7602861608789824
Energy: 0.8070520373967672
Energy: 0.8170961304989162
Energy: 0.7406612184721277
Energy: 0.8393700695516086
Energy: 0.7969033114960377
Energy: 0.786333586007249
Energy: 0.7892919177350975
Energy: 0.7502124846132684
Energy: 0.7847885233775773
Energy: 0.7760908104205072
Energy: 0.8079946738660532
Energy: 0.7985612199695568
Energy: 0.7974840099485963
Energy: 0.8129399046500423
Energy: 0.828943609319419
Energy: 0.7541268167984969
Energy: 0.755467037936914
Energy: 0.8228492098292662
Energy: 0.7889037910061383
Energy: 0.75947083651269
Energy: 0.8232997475364244
Energy: 0.8140994150832479
Energy: 0.7641460793929931
Energy: 0.7631228913270068
Energy: 0.8210496956455359
Energy: 0.7743163620695309
Energy: 0.7511969796364
Energy: 0.7886736975900854
Energy: 0.752643783831721
Energy: 0.7759655578433958
Energy: 0.8023106371117412
Energy: 0.8163023692748467
Energy: 0.7866247874264309
Energy: 0.7545020928026438
Energy: 0.8162551279440624

minimum gb energy = 0.6632054362796467 eV
minimum distance =  2.4681692602444 Angstroms
sigma value = 365


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

Energy: 0.7174020717265611
Energy: 0.778035996850053
Energy: 0.7128527062198666
Energy: 0.68921930517038
Energy: 0.6895225882774646
Energy: 0.7125534256254183
Energy: 0.6889083692938904
Energy: 0.6990146350177515
Energy: 0.820679687174222
Energy: 0.690537031610731
Energy: 0.6917505328624353
Energy: 0.6912610273196685
Energy: 0.690536508999376
Energy: 0.8206174496260461
Energy: 0.6984485202195999
Energy: 0.7778132011996641
Energy: 0.6897973182783013
Energy: 0.6906383479815119
Energy: 0.6899347966585815
Energy: 0.6890899944053824
Energy: 0.6892512374498573
Energy: 0.7006548183883815
Energy: 0.7784488734282132
Energy: 0.6902556339488024
Energy: 0.6914318104828235
Energy: 0.68996081159452
Energy: 0.689705792093981
Energy: 0.6904464562865553
Energy: 0.6585475306945835
Energy: 0.8213928999395097
Energy: 0.6436177601859677
Energy: 0.8208851190368261
Energy: 0.6918710222674755
Energy: 0.6447832454663888
Energy: 0.8208348149053044
Energy: 0.7021057526743616
Energy: 0.7781024013458518
Energy: 0.6896733057856661
Energy: 0.6894207279563805
Energy: 0.6907480613334969
Energy: 0.6917461614040862
Energy: 0.6893301758357597
Energy: 0.6973056633438428
Energy: 0.8209642715318103
Energy: 0.6895517086674767
Energy: 0.6910299944329394
Energy: 0.6902893778795853
Energy: 0.689603702851883
Energy: 0.8202522539297553
Energy: 0.6968659319146994
Energy: 0.8360876848076483
Energy: 0.6899791994721313
Energy: 0.6903896715536282
Energy: 0.6896867926515673
Energy: 0.6888573111149983
Energy: 0.8206277309983224
Energy: 0.7024106400590342
Energy: 0.777756124929551
Energy: 0.690084863142571
Energy: 0.696422596739796
Energy: 0.6950002785906485
Energy: 0.6912643219554587
Energy: 0.6897398731351702
Energy: 0.6435139658586068
Energy: 0.8213353743159614
Energy: 0.6433932043941336
Energy: 0.8203778023883446
Energy: 0.8210714313608307
Energy: 0.6448029509614832
Energy: 0.8204458312581504
Energy: 0.7019209854322042
Energy: 0.7778697875789776
Energy: 0.6911457540941675
Energy: 0.6906250358634076
Energy: 0.6908793624755735
Energy: 0.6908089273189505
Energy: 0.6902258177901307
Energy: 0.697560784671253
Energy: 0.7776223041381034
Energy: 0.6895373913630897
Energy: 0.6903647084719435
Energy: 0.6896950861202223
Energy: 0.6893339205134329
Energy: 0.8204363786761316
Energy: 0.698159407884214
Energy: 0.820840355127335
Energy: 0.6901412340560357
Energy: 0.6913535778881633
Energy: 0.6902803935354923
Energy: 0.6895683071277943
Energy: 0.8200011546216551
Energy: 0.7050792839877921
Energy: 0.7779736623400157
Energy: 0.6892443780441263
Energy: 0.6895294649322387
Energy: 0.6904448342578848
Energy: 0.690225606852219
Energy: 0.688591514639178
Energy: 0.6589629399265463
Energy: 0.8213450633467305
Energy: 0.6432767685337731
Energy: 0.6923170731848461
Energy: 0.691711172461114
Energy: 0.6915187748705494
Energy: 0.8208520064677731
Energy: 0.6972602486912085
Energy: 0.7776743618395977
Energy: 0.6901562577587317
Energy: 0.6909701884042372
Energy: 0.6903994295250636
Energy: 0.6895942044958281
Energy: 0.6914717534114693
Energy: 0.6971167612790459
Energy: 0.7776602660571867
Energy: 0.6899822851506131
Energy: 0.6909122228554194
Energy: 0.6898147786297537
Energy: 0.689711942479039
Energy: 0.6892450066819296
Energy: 0.6589629930592312
Energy: 0.8213034296801378
Energy: 0.6911673384683675
Energy: 0.6921864263368274
Energy: 0.6913904978982355
Energy: 0.6907306126499166
Energy: 0.8202966820711737
Energy: 0.7021421439730723
Energy: 0.7779699315988151
Energy: 0.6902642907785351
Energy: 0.6890885044552992
Energy: 0.6898451590342842
Energy: 0.6899229039865374
Energy: 0.6890188507820888
Energy: 0.6983621407045353
Energy: 0.8207518217478084
Energy: 0.6900865553561425
Energy: 0.6912777960044912
Energy: 0.6909004814442655
Energy: 0.6901045638384485
Energy: 0.8199126683590751

minimum gb energy = 0.6432767685337731 eV
minimum distance =  2.4867158619118 Angstroms
sigma value = 23