Model name: model_name=EAM_Dynamo_SunZhangMendelev_2022_Fe__MO_044341472608_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.430137217044831
cohesive_energy=3.990966885422167
mass=55.845
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=[4.88322609746958e-19, 5.26391928747432e-19, 5.537090403571319e-19, 5.72180534770518e-19, 5.790266355276e-19, 5.867619443165519e-19, 5.994720115540739e-19, 6.14000549271186e-19, 6.239116139291099e-19, 6.255666623920319e-19, 6.20768143373202e-19, 6.135647572267379e-19, 6.064927495642619e-19, 6.011126404272899e-19, 5.98680536296878e-19, 5.99640240100644e-19, 6.03600820739892e-19, 6.096794788892879e-19, 6.16818777970392e-19, 6.24001335820614e-19, 6.30373192294032e-19, 6.352950789136799e-19, 6.3835523628462e-19, 6.3937261844721e-19, 6.38308773162234e-19, 6.3505475241858e-19, 6.29676245458242e-19, 6.2225656546618795e-19, 6.12779690676078e-19, 6.010453490086619e-19, 5.86529628704622e-19, 5.682327715443419e-19, 5.44525363891044e-19, 5.137379376921e-19, 4.74245885840634e-19, 4.2342484301015397e-19, 3.5740234827628197e-19, 2.72342790777222e-19, 1.64737403684514e-19, 3.03942520529604e-20, -1.3588188207084718e-19, -3.42780884314398e-19, -6.09424732804482e-19, -9.8598751144677e-19, -1.6314804446358599e-18, -2.9899820343707996e-18, -6.2219087622419395e-18, -1.45313415262215e-17, -3.76708576715982e-17, -1.078780775558148e-16, -3.4449361113614395e-16]
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: 0.020939385163081584
Energy: 0.7289056974540322
Energy: 0.7533302249647877
Energy: 0.35827500925664646
Energy: 0.36444807598858775
Energy: 0.5828998285215007
Energy: 0.021691955411242542
Energy: 0.47913024408143867
Energy: 0.28987904832671524
Energy: 0.22750945647627793
Energy: 0.5213390491759521
Energy: 0.26957053654924573
Energy: 0.10855618560047726
Energy: 0.4010735172142056
Energy: 0.14565035527228307
Energy: 0.2854153819380859
Energy: 0.5799796420815677
Energy: 0.5233195178726963
Energy: 0.3005517906932208
Energy: 0.446507046019281
Energy: 0.40490153155401554
Energy: 0.021051198561212868
Energy: 0.2657040124719612
Energy: 0.4309253695172003
Energy: 0.3540729569263153
Energy: 0.3583176793153095
Energy: 0.47502245020312256
Energy: 0.10852844239183204
Energy: 0.4790493345004476
Energy: 0.46856756620381645
Energy: 0.22847953587154518
Energy: 0.5862597030540404
Energy: 0.2706713297584208
Energy: 0.10815920887365729
Energy: 0.4015366418082208
Energy: 0.14813997067974666
Energy: 0.28322338331391866
Energy: 0.5296795233398504
Energy: 0.3830407994208226
Energy: 0.28936236167310864
Energy: 0.4438892374765574
Energy: 0.36538245818994

minimum gb energy = 0.020939385163081584 eV
minimum distance =  2.40587423493103 Angstroms
sigma value = 5


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

Energy: 0.6927598917526544
Energy: 0.7162324693104868
Energy: 0.6896788682659238
Energy: 0.6420802125687278
Energy: 0.6949247836495398
Energy: 0.6765353580709453
Energy: 0.7129572478945824
Energy: 0.5665272678473343
Energy: 0.6589810352778793
Energy: 0.5814899692585832
Energy: 0.7283394755267757
Energy: 0.6880303190996002
Energy: 0.580839173461051
Energy: 0.6496667100188931
Energy: 0.7117689008058274
Energy: 0.7046544854197183
Energy: 0.6642748101269894
Energy: 0.6865272326601765
Energy: 0.6971834244850285
Energy: 0.6621282276044366
Energy: 0.6816249127684063
Energy: 0.6239879523368658
Energy: 0.678944615715382
Energy: 0.6350527384162857
Energy: 0.6847136504860816
Energy: 0.6511167553178188
Energy: 0.6847343983774896
Energy: 0.7400877980326912
Energy: 0.6397184877276648
Energy: 0.7159837700118662
Energy: 0.6577304263161272
Energy: 0.5810801844923834
Energy: 0.6157608747663638
Energy: 0.658128604875873
Energy: 0.735726331052367
Energy: 0.6255935455308956
Energy: 0.643985469324321
Energy: 0.6243047771587377
Energy: 0.6616162191513556
Energy: 0.6349653594423389
Energy: 0.6906109658969157
Energy: 0.6724651445638067
Energy: 0.6613030829612531
Energy: 0.6933544742684461
Energy: 0.6447863806715691
Energy: 0.6832187902915562
Energy: 0.6730025611381633
Energy: 0.6263097931938005
Energy: 0.6797846600789583
Energy: 0.5977931494061453
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Energy: 0.6505442677129843
Energy: 0.6358130669943362
Energy: 0.649454045643635
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Energy: 0.6639247763065057
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Energy: 0.6874819122928102
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Energy: 0.6456906683946948
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Energy: 0.6622178658968756
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Energy: 0.6768788440590796
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Energy: 0.7138496990672387
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Energy: 0.6724039177039016
Energy: 0.631036118040576
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Energy: 0.6928988505412449
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Energy: 0.6051073408043232
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Energy: 0.6712915261848053
Energy: 0.5985465890435849
Energy: 0.6781165380555961
Energy: 0.6449507038759779
Energy: 0.7173187470042287
Energy: 0.6353205727191829
Energy: 0.6870474562659246
Energy: 0.6791830571463752
Energy: 0.6369013725484148
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Energy: 0.6914836920704978
Energy: 0.7125912706199677
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Energy: 0.6727408281546803
Energy: 0.6907214464027803
Energy: 0.6508847670414262
Energy: 0.6556513668521465
Energy: 0.6215250658527419
Energy: 0.652183457404288
Energy: 0.6462774623014769
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Energy: 0.5897033707673633
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Energy: 0.6876943921985533
Energy: 0.6039762161130853
Energy: 0.6372700482333223
Energy: 0.630863096919474
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Energy: 0.6795751382831393
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Energy: 0.669484719519242
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Energy: 0.6121020790052503
Energy: 0.6607478885999756
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Energy: 0.6212848309730853
Energy: 0.6910619244020225
Energy: 0.5962791123888886
Energy: 0.6386039466403725
Energy: 0.6526972193968784
Energy: 0.6811255470666986
Energy: 0.6553796533595732
Energy: 0.6538765891609462
Energy: 0.677570143237728
Energy: 0.6300926584830067
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Energy: 0.6242777538730668
Energy: 0.6742149795136646
Energy: 0.611711957335315
Energy: 0.6288393173026772
Energy: 0.7115465492704611
Energy: 0.6421777345593735
Energy: 0.7011764525761816
Energy: 0.6120944098058966
Energy: 0.6544103501311724
Energy: 0.6862541734817235
Energy: 0.6216389780963859
Energy: 0.7072833217778698
Energy: 0.6307989101178026
Energy: 0.7452502348853829
Energy: 0.6690817289226317
Energy: 0.6757678493349127
Energy: 0.6427983702491636
Energy: 0.647926164155448
Energy: 0.6819113956738745
Energy: 0.5965104238396475
Energy: 0.6844542429383234
Energy: 0.6219457157472944
Energy: 0.6536671237984157
Energy: 0.7149804711898986
Energy: 0.683058546228666
Energy: 0.6605682342864249
Energy: 0.6428156436490204
Energy: 0.6763175592415157
Energy: 0.6287256145082751
Energy: 0.7035246560745902
Energy: 0.7157697967581167
Energy: 0.7026076101170734
Energy: 0.685381817023308
Energy: 0.6304758007203438
Energy: 0.6933256468726006
Energy: 0.6699896672711886
Energy: 0.7211921538961523
Energy: 0.690700576117993
Energy: 0.6362921135789208
Energy: 0.697968648952786
Energy: 0.6175814074010308
Energy: 0.6256657334172865
Energy: 0.6862165234817404
Energy: 0.637702234048321
Energy: 0.6691164770751242
Energy: 0.6008506137424489
Energy: 0.6472836436385643

minimum gb energy = 0.5665272678473343 eV
minimum distance =  2.23288514522995 Angstroms
sigma value = 401


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

Energy: 0.7280943960721674
Energy: 0.7042419394486653
Energy: 0.6054777654231471
Energy: 0.5987316453386821
Energy: 0.7421109482065603
Energy: 0.6034900494242037
Energy: 0.6410293832539944
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Energy: 0.5938203619480663
Energy: 0.718137404215258
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Energy: 0.6723202939656169
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Energy: 0.6610464303776661
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Energy: 0.6508948911575915
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Energy: 0.62255055107044
Energy: 0.6101986649006919
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Energy: 0.6200480080669841
Energy: 0.7188972338690897
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Energy: 0.6502890193393864
Energy: 0.5835697677661025
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Energy: 0.5762765587345884
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Energy: 0.5601328368022302
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Energy: 0.6773193785268774
Energy: 0.7108419280761397
Energy: 0.6375798570311186
Energy: 0.6079654618503251
Energy: 0.6740068200661804
Energy: 0.6204470943580167
Energy: 0.6309930502151442
Energy: 0.6604172087255756
Energy: 0.7034499973277494
Energy: 0.6840493729257315
Energy: 0.651802366495637
Energy: 0.6590214827525116
Energy: 0.6137636951959079
Energy: 0.6365275552452103
Energy: 0.6341736672131294
Energy: 0.6690423400310982
Energy: 0.6342029581041937
Energy: 0.6619937230308203
Energy: 0.6513372636263902
Energy: 0.6901406149077021
Energy: 0.6506055441923726
Energy: 0.6750566431069296
Energy: 0.60883195871629
Energy: 0.5999187962120067
Energy: 0.6765205363794006
Energy: 0.5648386370502555
Energy: 0.5996734703542221
Energy: 0.6480995798557031
Energy: 0.5727965474466435
Energy: 0.6527687183667548
Energy: 0.6372169763210801
Energy: 0.6793596586664244
Energy: 0.6144852748605361
Energy: 0.7211834468732297
Energy: 0.6996203054300033
Energy: 0.6428758449117106
Energy: 0.617515334383227
Energy: 0.5824854083979726
Energy: 0.6515337766720354
Energy: 0.6396140804233179
Energy: 0.6124582905809143
Energy: 0.6904542022040828
Energy: 0.6582837844249951
Energy: 0.608735093044616
Energy: 0.5805923760139765
Energy: 0.7087962298738185
Energy: 0.5887928573317786
Energy: 0.6315864960345815
Energy: 0.6050538487417912
Energy: 0.5854056915622584
Energy: 0.6625834153679293
Energy: 0.6811487858731047
Energy: 0.6673581931828705
Energy: 0.670327772757531
Energy: 0.6323585456863142
Energy: 0.6544525054271494
Energy: 0.6678023698902695
Energy: 0.6386146520300094
Energy: 0.6065275090053244
Energy: 0.6885787674117624
Energy: 0.6052889284122409
Energy: 0.6377035107042327
Energy: 0.624188660490759
Energy: 0.6263992704444394
Energy: 0.6792275992392923
Energy: 0.6469462660189356
Energy: 0.6703867606851741
Energy: 0.5928099366150335
Energy: 0.6718201803970518
Energy: 0.6024821458640378
Energy: 0.643825675017348
Energy: 0.6823734456653593
Energy: 0.6315335344145421
Energy: 0.6360680370215589
Energy: 0.691078801754495
Energy: 0.6243737462602839
Energy: 0.586748255247086
Energy: 0.6645030349538429
Energy: 0.6826718543725105
Energy: 0.6446326202575204
Energy: 0.6961614977680564
Energy: 0.6817718094061513
Energy: 0.6176522463619488
Energy: 0.6283972313628274
Energy: 0.6683354833535585
Energy: 0.6664435867196482
Energy: 0.5935612446041664
Energy: 0.6665281827607362
Energy: 0.6429656840970543
Energy: 0.6480387533032204
Energy: 0.6630358696486036
Energy: 0.6256167626637978
Energy: 0.6260263647779011
Energy: 0.5996782444690265
Energy: 0.6699693732961157
Energy: 0.591295605648553
Energy: 0.5989844103046975
Energy: 0.6495648223055711
Energy: 0.61764178329014
Energy: 0.6462384903059657
Energy: 0.6402427793799742
Energy: 0.6718358955801293
Energy: 0.576616051574243
Energy: 0.7186796684217786
Energy: 0.7381470072111631
Energy: 0.5604102603010631
Energy: 0.635542276405017

minimum gb energy = 0.5585933625271149 eV
minimum distance =  2.215326789387 Angstroms
sigma value = 311


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

Energy: 0.6747478145068574
Energy: 0.6857132956506693
Energy: 0.6170780468985733
Energy: 0.7364478110496807
Energy: 0.6418488258480989
Energy: 0.6431611975556835
Energy: 0.6696581537451393
Energy: 0.6418296815156693
Energy: 0.6697697201663053
Energy: 0.7097440414978433
Energy: 0.7029134502011908
Energy: 0.6830338818314126
Energy: 0.7041864642301043
Energy: 0.6565066744813585
Energy: 0.6746929131375228
Energy: 0.6872239799365698
Energy: 0.6421700359062235
Energy: 0.6895840326904562
Energy: 0.6702986315468344
Energy: 0.6920013249755775
Energy: 0.6926074772833659
Energy: 0.6250279893426771
Energy: 0.6499822101066328
Energy: 0.6028492527879034
Energy: 0.7153633085784596
Energy: 0.7471294347388914
Energy: 0.6091397629310352
Energy: 0.7224987261593959
Energy: 0.6676861890106817
Energy: 0.6867611752796133
Energy: 0.6678805241064548
Energy: 0.6432426856537454
Energy: 0.670275942938702
Energy: 0.6432002023962642
Energy: 0.6998833942338669
Energy: 0.6683854010654123
Energy: 0.7357693524122022
Energy: 0.6580602286206134
Energy: 0.6723889343698904
Energy: 0.7160126155208968
Energy: 0.7250973905426638
Energy: 0.6739599752003123
Energy: 0.6547831290321771
Energy: 0.6574884055193599
Energy: 0.6232498083033389
Energy: 0.7004938058583992
Energy: 0.6663845044515767
Energy: 0.6638728022465603
Energy: 0.672946256712545
Energy: 0.686710244659465
Energy: 0.7016371587809219
Energy: 0.6689968670764957
Energy: 0.7379239368274847
Energy: 0.6917988514537313
Energy: 0.6491543677578263
Energy: 0.6455312705414766
Energy: 0.6461483930568586
Energy: 0.6801223800536574
Energy: 0.6668994394111967
Energy: 0.6390652955022579
Energy: 0.6554356063184602
Energy: 0.6623395218317162
Energy: 0.7046390103617237
Energy: 0.6491751255220432
Energy: 0.7111011906853417
Energy: 0.6122980125296971
Energy: 0.6591255639809434
Energy: 0.6681391008813425
Energy: 0.6137746980761315
Energy: 0.6710882228119894
Energy: 0.6893302064960635
Energy: 0.6842317887563809
Energy: 0.6710472891170501
Energy: 0.6703002852144072
Energy: 0.6772997595728063
Energy: 0.6821082610873829
Energy: 0.6771448489470256
Energy: 0.6546949650769671
Energy: 0.6871382139368843
Energy: 0.6748897997359738
Energy: 0.6567779483388005
Energy: 0.7065098825120661
Energy: 0.682418637416158
Energy: 0.6998611408779949
Energy: 0.6413195533428694
Energy: 0.6404031931542897
Energy: 0.6326906454699387
Energy: 0.697975577363545
Energy: 0.6644216005977919
Energy: 0.6470947828892427
Energy: 0.6622785025808012
Energy: 0.664585429056876
Energy: 0.7351904382573756
Energy: 0.6583919773346762
Energy: 0.7196624407400757
Energy: 0.682046261894443
Energy: 0.6396180519718945
Energy: 0.6972268762729205
Energy: 0.6340828599727101
Energy: 0.7006933561801773
Energy: 0.6467087492211931
Energy: 0.736836081645103
Energy: 0.6721870416230835
Energy: 0.7075128396112967
Energy: 0.6692152947066156
Energy: 0.648221658958687
Energy: 0.6958185079408283
Energy: 0.6035425708546454
Energy: 0.697305181779588
Energy: 0.6917582586659353
Energy: 0.6811287000286499
Energy: 0.6725636149316906
Energy: 0.6659972293564208
Energy: 0.6269147797638018
Energy: 0.6509662397402228
Energy: 0.6491560824725563
Energy: 0.6937735715293109
Energy: 0.6327785929799283
Energy: 0.702200060223059
Energy: 0.6814639893382938
Energy: 0.6783720848179635
Energy: 0.6990839904607719
Energy: 0.6757236624213873
Energy: 0.7022122926188935
Energy: 0.6371243365907243
Energy: 0.6917548939980421
Energy: 0.6380933825279219
Energy: 0.6660100473543228
Energy: 0.63111082456572
Energy: 0.6483806735321733
Energy: 0.6843488094709373
Energy: 0.6234855829045869
Energy: 0.6736453699716438
Energy: 0.6584239400647167
Energy: 0.7503201743212058
Energy: 0.7109388065441492
Energy: 0.7365239651361326
Energy: 0.6621027651652582
Energy: 0.681812736656433
Energy: 0.6634584077044621
Energy: 0.6452604788893256
Energy: 0.6694725158287673
Energy: 0.6190136600643278
Energy: 0.6977252176663999
Energy: 0.6956097889346032
Energy: 0.6511111917801697
Energy: 0.6546109487764077
Energy: 0.5841391486066702
Energy: 0.6513350593770713
Energy: 0.6595165626236201
Energy: 0.6755755111727425
Energy: 0.6793424724778395
Energy: 0.6453261589115477
Energy: 0.6831310443738917
Energy: 0.6167769778468085
Energy: 0.7058041481377465
Energy: 0.6658474910012692
Energy: 0.6529330564063898
Energy: 0.6769593242778186
Energy: 0.6792028835872367
Energy: 0.7274140784397347
Energy: 0.6636649245669249
Energy: 0.6672825890487364
Energy: 0.7164861304241086
Energy: 0.6576478961332548
Energy: 0.6682590412740445
Energy: 0.697860513550241
Energy: 0.6382451328120894
Energy: 0.6333613727177836
Energy: 0.6927485220983526
Energy: 0.6436432752118285
Energy: 0.6876116879120866
Energy: 0.7270700406843345
Energy: 0.614801549517384
Energy: 0.6564963662461581
Energy: 0.6552444470716976
Energy: 0.7169589662119381
Energy: 0.6964112766163965
Energy: 0.7376043083702974
Energy: 0.6514292464889115
Energy: 0.6625519505522754
Energy: 0.6945031194363892
Energy: 0.6752663065982382
Energy: 0.6562422700178386
Energy: 0.6137911282936717
Energy: 0.6796475522775604
Energy: 0.6882278550419902
Energy: 0.6592066661836546
Energy: 0.6477896238554735
Energy: 0.6474053532789393
Energy: 0.6931754653672897
Energy: 0.6638433333865673
Energy: 0.678626174046805
Energy: 0.6666117489668346
Energy: 0.6281779246551005
Energy: 0.6925558635992843
Energy: 0.6252349485422529
Energy: 0.6881497504291834
Energy: 0.6552541229248562
Energy: 0.659338142058312
Energy: 0.6689359666303738
Energy: 0.7127605192808703
Energy: 0.6587135561153683
Energy: 0.6342025313131076
Energy: 0.6711997323283722
Energy: 0.6152678265585692
Energy: 0.6602205087726598
Energy: 0.6631237608287628
Energy: 0.6228287262722593
Energy: 0.6640719668661226
Energy: 0.6289657074830861
Energy: 0.6572425663502673
Energy: 0.6852870149536077
Energy: 0.6933384249418189
Energy: 0.7068045542878356
Energy: 0.6549421599732401
Energy: 0.6581127796915387
Energy: 0.6574707314471933
Energy: 0.7240346011436165
Energy: 0.6727863851748851
Energy: 0.71279384038518
Energy: 0.6482397367772454
Energy: 0.6455557012071078
Energy: 0.6835581285716283
Energy: 0.639019238554005
Energy: 0.7136896291951162
Energy: 0.6164274812970636
Energy: 0.7141480626138742
Energy: 0.6474051690791744
Energy: 0.6382054117839667
Energy: 0.6894508168580868
Energy: 0.6452964634354176
Energy: 0.7130427234445738
Energy: 0.69187713863484
Energy: 0.6992202793544111
Energy: 0.674819309784032
Energy: 0.657290040486897
Energy: 0.6502802963502697
Energy: 0.7019243406253689
Energy: 0.701883862134773
Energy: 0.6426981345133116
Energy: 0.6358214117566411
Energy: 0.6657251355457576
Energy: 0.6378349671730013
Energy: 0.7149299151376524
Energy: 0.6614862610407749
Energy: 0.6807054548030284
Energy: 0.5948357520397548
Energy: 0.6435378246798925
Energy: 0.6564617262700927
Energy: 0.6426153673712722
Energy: 0.6737269939041007

minimum gb energy = 0.5841391486066702 eV
minimum distance =  2.22187997709891 Angstroms
sigma value = 39


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

Energy: 0.6195229215696937
Energy: 0.6158937925017153
Energy: 0.7332967625586732
Energy: 0.7271583136346037
Energy: 0.6167219890163694
Energy: 0.6158199211020475
Energy: 0.48625193594127625
Energy: 0.5781640077748246
Energy: 0.6690770706890269
Energy: 0.7283564335491848
Energy: 0.7578565693528206
Energy: 0.7120319567244721
Energy: 0.581335948313268
Energy: 0.6082259849469044
Energy: 0.6148222973420506
Energy: 0.5799182727917815
Energy: 0.5424345340634192
Energy: 0.6805984109601988
Energy: 0.6646517301397923
Energy: 0.6070243112285962
Energy: 0.509056561746952
Energy: 0.5378855621122077
Energy: 0.663205286347842
Energy: 0.6777955987030212
Energy: 0.6377276465086286
Energy: 0.713543406359157
Energy: 0.6217273782660334
Energy: 0.7456899928320206
Energy: 0.6059725801792042
Energy: 0.6933769303176411
Energy: 0.6812862799254434
Energy: 0.6363894304433397
Energy: 0.7357460039560332
Energy: 0.5841471473989982
Energy: 0.6438494396592086
Energy: 0.5258235018552172
Energy: 0.7255977655853201
Energy: 0.6337751388552516
Energy: 0.6124141463102228
Energy: 0.6446036091939191
Energy: 0.5848563755595538
Energy: 0.5928888887585566
Energy: 0.636283400559008
Energy: 0.6240718691051228
Energy: 0.6173871842772817
Energy: 0.7513899972921643
Energy: 0.4840248153557626
Energy: 0.5343385246921383
Energy: 0.6082972625173658
Energy: 0.49325792616165126
Energy: 0.6572750992755539
Energy: 0.6746377624734594
Energy: 0.6160558617996967
Energy: 0.6945153879849624
Energy: 0.6249584622678842
Energy: 0.6318754776722585
Energy: 0.5289918254956117
Energy: 0.7110835490353269
Energy: 0.6056371080294374
Energy: 0.6412933675077552
Energy: 0.619320645227831
Energy: 0.593073288082601
Energy: 0.5882603274219809
Energy: 0.60879980734823
Energy: 0.6307876681164655
Energy: 0.6233509957847057
Energy: 0.656959998555514
Energy: 0.6179055514565096
Energy: 0.6155310991670612
Energy: 0.5952727301635062
Energy: 0.5875536682580089
Energy: 0.7001158081070161
Energy: 0.6210445121872319
Energy: 0.637275049581424
Energy: 0.7047670194518296
Energy: 0.6544562952242795
Energy: 0.7554474750892949
Energy: 0.608119959268571
Energy: 0.7273917367500649
Energy: 0.6370832890258454
Energy: 0.6752689276460211
Energy: 0.7430532414789445
Energy: 0.6121003660848343
Energy: 0.6601898369523864
Energy: 0.5008403339263322
Energy: 0.6572943983386815
Energy: 0.6602585080235237
Energy: 0.5901694591517875
Energy: 0.6382277915216735
Energy: 0.6536022733391839
Energy: 0.5777754208944992
Energy: 0.5560924811302081
Energy: 0.6282154723667572
Energy: 0.5859828440729967
Energy: 0.6054130810641586
Energy: 0.5248438762573218
Energy: 0.5414218978203448
Energy: 0.610588737536059
Energy: 0.5203831411090841
Energy: 0.6701319602976984
Energy: 0.5673099438674026
Energy: 0.603968943298994
Energy: 0.5346064532763292
Energy: 0.4938140877235899
Energy: 0.579547700798274
Energy: 0.5245743040581808
Energy: 0.6634646994443736
Energy: 0.7354229239383699
Energy: 0.7064647793819441
Energy: 0.6172201378654593
Energy: 0.655191322432063
Energy: 0.4750951064958406
Energy: 0.573699068771271
Energy: 0.664391893681349
Energy: 0.687781285700041
Energy: 0.734968991770414
Energy: 0.7131075725773826
Energy: 0.5805528210854811
Energy: 0.5826297034602906
Energy: 0.6133642737900555
Energy: 0.5774522715399008
Energy: 0.6085414707891335
Energy: 0.678456830402516
Energy: 0.7016724720104095
Energy: 0.6604938666206996
Energy: 0.5070759206758599
Energy: 0.5811821857291677
Energy: 0.6672548929197719
Energy: 0.6768836361592351
Energy: 0.6374924156589579
Energy: 0.7141173998905833
Energy: 0.6222920079428867
Energy: 0.7365029007387711
Energy: 0.6227668266951203
Energy: 0.6926153838475441
Energy: 0.6788073794967259
Energy: 0.6384348986978143
Energy: 0.7336404275686514
Energy: 0.5903011407730793
Energy: 0.6468250055623498
Energy: 0.5262726847986959
Energy: 0.7274497705855891
Energy: 0.6342767919548571
Energy: 0.6090481587866238
Energy: 0.6491991045469873
Energy: 0.5188237769289015
Energy: 0.588516290576719
Energy: 0.6369009034800965
Energy: 0.6248569106625671
Energy: 0.6215883557756815
Energy: 0.6465881398282917
Energy: 0.4754903700585361
Energy: 0.533005169723944
Energy: 0.6088446234344977
Energy: 0.5056306039580597
Energy: 0.6192612992550923
Energy: 0.6033650973197219
Energy: 0.6078629842885362
Energy: 0.6936959047434635
Energy: 0.6237812528028956
Energy: 0.6309138738115446
Energy: 0.49632511892383036
Energy: 0.7089651709107929
Energy: 0.6785453022132849
Energy: 0.6444720909290581
Energy: 0.6189641447063009
Energy: 0.5943133833537793
Energy: 0.5912613089748032
Energy: 0.6120083052052046
Energy: 0.5694639414120748
Energy: 0.6146715252190003
Energy: 0.6568830878557786
Energy: 0.6165149643751036
Energy: 0.6328782146528066
Energy: 0.6502441609091076
Energy: 0.5857053740654963
Energy: 0.7016985097701717
Energy: 0.6200839528004841
Energy: 0.6374241685928363
Energy: 0.733408484877538
Energy: 0.633370825002639
Energy: 0.7574960860554405
Energy: 0.6082031938700568
Energy: 0.7249891771579304
Energy: 0.6436013221814697
Energy: 0.638300444354056
Energy: 0.7352805169911292
Energy: 0.637121301223389
Energy: 0.6601495058069755
Energy: 0.4687611597298573
Energy: 0.6570218398472243
Energy: 0.6540245592771103
Energy: 0.5889204005039389
Energy: 0.6362287754820197
Energy: 0.6504913937835264
Energy: 0.6132965582615111
Energy: 0.5550427302447116
Energy: 0.6282104719438976
Energy: 0.6632883980712772
Energy: 0.6047653392868271
Energy: 0.5277170377395831
Energy: 0.5407261395958524
Energy: 0.6114748130762433
Energy: 0.520624599907876
Energy: 0.6500056697987685
Energy: 0.5646717314572927
Energy: 0.5455859024366553
Energy: 0.5270432155274946
Energy: 0.4935573797449716
Energy: 0.5793005102796152

minimum gb energy = 0.4687611597298573 eV
minimum distance =  2.25134081628095 Angstroms
sigma value = 21


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

Energy: 0.7941333083251789
Energy: 0.7627764603150219
Energy: 0.6335178303494972
Energy: 0.8561296318364322
Energy: 0.6045401152175212
Energy: 0.6886655582249855
Energy: 0.7429628859078367
Energy: 0.6135034503748737
Energy: 0.7290542066626456
Energy: 0.6534136597421707
Energy: 0.7026358973851755
Energy: 0.7704729844038102
Energy: 0.7565057047759934
Energy: 0.7259699719075867
Energy: 0.5755762660317418
Energy: 0.6771327476380142
Energy: 0.6343808368464379
Energy: 0.7602695612339775
Energy: 0.7041887540633458
Energy: 0.7025263545432319
Energy: 0.7610637276477863
Energy: 0.8078365889705206
Energy: 0.712894376871562
Energy: 0.6460869982316308
Energy: 0.8142352733119026
Energy: 0.6453507811506588
Energy: 0.5694988340048748
Energy: 0.8351826456820749
Energy: 0.6252000722439475
Energy: 0.65135147450107
Energy: 0.6629542695674033
Energy: 0.6508528128315382
Energy: 0.5968479137371511
Energy: 0.6492600945543696
Energy: 0.6845134627348174
Energy: 0.6154047309183382
Energy: 0.6868133349183387
Energy: 0.6730343077862696
Energy: 0.6498076644855532
Energy: 0.670056083497233
Energy: 0.641379270032608
Energy: 0.6476075303584107
Energy: 0.7382535710456722
Energy: 0.668398251365951
Energy: 0.5814468742026594
Energy: 0.725747316993104
Energy: 0.620041436230143
Energy: 0.6689003287600364
Energy: 0.6344385794209007
Energy: 0.6066244521695461
Energy: 0.6325576248656367
Energy: 0.6297809440168655
Energy: 0.7523085304816008
Energy: 0.7106843120854018
Energy: 0.6571399076356085
Energy: 0.6756182211691435
Energy: 0.6412034375580473
Energy: 0.7003006878390269
Energy: 0.6989736247621458
Energy: 0.6953777360752917
Energy: 0.727455545858222
Energy: 0.7580876363750755
Energy: 0.6743910080265594
Energy: 0.7982676236735057
Energy: 0.7102962139422866
Energy: 0.6840447406414942
Energy: 0.5643344216593557
Energy: 0.6057689866881119
Energy: 0.5711564091033688
Energy: 0.7197282474297638
Energy: 0.610545178277484
Energy: 0.74032422732628
Energy: 0.6999130388742761
Energy: 0.6548301490770821
Energy: 0.7235770104752555
Energy: 0.6365974749672427
Energy: 0.7808197325640426
Energy: 0.6488440081425707
Energy: 0.7612236839592009
Energy: 0.644218356681501
Energy: 0.7895474563401814
Energy: 0.7368602778581922
Energy: 0.7653522024062526
Energy: 0.7324804011096605
Energy: 0.7193684776281543
Energy: 0.656853549951064
Energy: 0.6562565880361988
Energy: 0.699328798819111
Energy: 0.7197947426412684
Energy: 0.5818715613087112
Energy: 0.6731431307444538
Energy: 0.7267296350659928
Energy: 0.607577491701139
Energy: 0.6754302490908644
Energy: 0.7576462123630334
Energy: 0.7040609009481577
Energy: 0.6451296022540108
Energy: 0.7199510151455653
Energy: 0.5718811585327596
Energy: 0.6684868181920163
Energy: 0.6221959417678421
Energy: 0.7528072803267496
Energy: 0.858049670618381
Energy: 0.7300813632535094
Energy: 0.7444582761356057
Energy: 0.7362126203428637
Energy: 0.65858213450999
Energy: 0.5692916590343593
Energy: 0.7349804935990848
Energy: 0.6890676073179387
Energy: 0.5939803200827114
Energy: 0.679907647564277
Energy: 0.6028515321948144
Energy: 0.6976689388040141
Energy: 0.6553271329581245
Energy: 0.670862063367238
Energy: 0.6685843699829855
Energy: 0.6274835768435585
Energy: 0.6951364244142434
Energy: 0.574855165263417
Energy: 0.676213654943219
Energy: 0.7191166885372382
Energy: 0.7444230649577306
Energy: 0.6489415940817231
Energy: 0.6598466788446139
Energy: 0.7117938164155146
Energy: 0.6466869149497859
Energy: 0.6022763654693856
Energy: 0.69006395998065
Energy: 0.6845183377465293
Energy: 0.5871254578092008
Energy: 0.6011911118649271
Energy: 0.671415985246613
Energy: 0.6563440503594652
Energy: 0.5847550424895764
Energy: 0.6233083611526611
Energy: 0.7090070580804816
Energy: 0.6460590020778973
Energy: 0.6390626663410581
Energy: 0.6422570700616069
Energy: 0.598962094682208
Energy: 0.7171552320372789
Energy: 0.6565527507978881
Energy: 0.6621087902158805
Energy: 0.702350103132822
Energy: 0.7359250728875286
Energy: 0.8860374337526531
Energy: 0.6724450448935257
Energy: 0.6744905224660914
Energy: 0.6893224080029647
Energy: 0.6061927566357118
Energy: 0.7201427315036105
Energy: 0.5201606557734189
Energy: 0.7275820099405994
Energy: 0.7670102731465956
Energy: 0.6628350861559378
Energy: 0.7341892855958678
Energy: 0.735867966842128
Energy: 0.7071018653793024
Energy: 0.6353043224385071
Energy: 0.7641522997284846
Energy: 0.6044736304089513
Energy: 0.6788312067854972
Energy: 0.6026493294233579
Energy: 0.7268045703089278
Energy: 0.7527688305256599
Energy: 0.7371696922521277
Energy: 0.745851146874035
Energy: 0.7216706424993639
Energy: 0.7451982759396742
Energy: 0.6871546172870486
Energy: 0.7142051096498647
Energy: 0.7275057336467885
Energy: 0.6200426846991614
Energy: 0.7314487734585783

minimum gb energy = 0.5201606557734189 eV
minimum distance =  2.21212518088309 Angstroms
sigma value = 113


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

Energy: 0.7394022024787429
Energy: 0.6834529022576888
Energy: 0.6848612392296751
Energy: 0.7602579812367941
Energy: 0.7057979573625437
Energy: 0.6850054073508333
Energy: 0.7212935011148118
Energy: 0.693432980329638
Energy: 0.7562276670926096
Energy: 0.6874303372903771
Energy: 0.7450698436687689
Energy: 0.7941578669653205
Energy: 0.6976452131500609
Energy: 0.758071941637421
Energy: 0.7292240337002833
Energy: 0.6747705390527086
Energy: 0.6793546468594797
Energy: 0.7060942788280843
Energy: 0.680644040896527
Energy: 0.7138863000812062
Energy: 0.7175537274787768
Energy: 0.6757124105576634
Energy: 0.714101781134264
Energy: 0.6807105923993829
Energy: 0.6786426369739218
Energy: 0.6866957113752319
Energy: 0.6655090659001726
Energy: 0.694708031763726
Energy: 0.6047942301634152
Energy: 0.7291174310689514
Energy: 0.7126640867476435
Energy: 0.6807944133385763
Energy: 0.6821457063696393
Energy: 0.6592527109819781
Energy: 0.6902095758235308
Energy: 0.6914842560377936
Energy: 0.6625467313019021
Energy: 0.7142248979631374
Energy: 0.7207814965276437
Energy: 0.6585371674417562
Energy: 0.7069489391791168
Energy: 0.6790196241363448
Energy: 0.7291964432653382
Energy: 0.6430673790139199
Energy: 0.6560157683387522
Energy: 0.6910365129066629
Energy: 0.6718390758042307
Energy: 0.7044130011312874
Energy: 0.7100418437346175
Energy: 0.7888537700343806
Energy: 0.6522684566295737
Energy: 0.6426626997667539
Energy: 0.709760325983797
Energy: 0.6685148280620065
Energy: 0.642374640323504
Energy: 0.6621542504121983
Energy: 0.6829017735220021
Energy: 0.6662369937927237
Energy: 0.6477601472228848
Energy: 0.6769321998148018
Energy: 0.6455497240813907
Energy: 0.7198875711064002
Energy: 0.668059612715859
Energy: 0.6786531847913446
Energy: 0.7071220767508429
Energy: 0.6442444121037691
Energy: 0.6374023812049954
Energy: 0.6375549843564955
Energy: 0.6570527500285336
Energy: 0.683115100448471
Energy: 0.6706411657884447
Energy: 0.6784735734693071
Energy: 0.7047924749382977
Energy: 0.6517520311964692
Energy: 0.6583106534055083
Energy: 0.6957131988289155
Energy: 0.6797299640284075
Energy: 0.5761052894643242
Energy: 0.6577189690950332
Energy: 0.6620678927643971
Energy: 0.6808664668920716
Energy: 0.686650024322784
Energy: 0.6905604037384013
Energy: 0.65785254084168
Energy: 0.6661211509385441
Energy: 0.6575104973237458
Energy: 0.6766082731218744
Energy: 0.6750101686562424
Energy: 0.6853859499564798
Energy: 0.6307092618476879
Energy: 0.6599089584006687
Energy: 0.733173082538054
Energy: 0.6303262055464803
Energy: 0.6457284930111072
Energy: 0.6259568695435529
Energy: 0.6778704098172218
Energy: 0.6714248490201362
Energy: 0.6997742233296422
Energy: 0.6932372283176008
Energy: 0.7054994718911998
Energy: 0.708404236786639
Energy: 0.7107468006815314
Energy: 0.7089224570959276
Energy: 0.6735769791236756
Energy: 0.674396707204907
Energy: 0.6451757848168866
Energy: 0.726805915859525
Energy: 0.6620897116449653
Energy: 0.6684199626937901
Energy: 0.6728030457790204
Energy: 0.6665903086748273
Energy: 0.7018725049056517
Energy: 0.7068897647353088
Energy: 0.663849361818452
Energy: 0.6650117216270848
Energy: 0.6742401229207081
Energy: 0.6907896038094058
Energy: 0.6808905977918688
Energy: 0.6470546383378706
Energy: 0.7408314254526321
Energy: 0.6966019329272107
Energy: 0.7187648977318384
Energy: 0.6560634201032264
Energy: 0.665375625816372
Energy: 0.7062053206617872
Energy: 0.6934772945961678
Energy: 0.6993756820762905
Energy: 0.7114385384566485
Energy: 0.660930255188491
Energy: 0.7363199477312344
Energy: 0.7184505120044566
Energy: 0.7361313581549745
Energy: 0.742317251314877
Energy: 0.6937937438543899
Energy: 0.7217781575971874
Energy: 0.6763464842721794
Energy: 0.6662573244231066
Energy: 0.6686303512779949
Energy: 0.6961459271027324
Energy: 0.7412256601676711
Energy: 0.7942422988858847
Energy: 0.7321268810614484
Energy: 0.6849909745079806
Energy: 0.7033263558789206
Energy: 0.6972301197227112
Energy: 0.651442244652427
Energy: 0.7151878321555865
Energy: 0.7076724134861188
Energy: 0.7496351680748481
Energy: 0.6135104226833875
Energy: 0.7677920548090011
Energy: 0.7158279372067653
Energy: 0.6296842530895499
Energy: 0.724941096996694
Energy: 0.7424988624892993
Energy: 0.7235710732457307
Energy: 0.6813966007716833
Energy: 0.760230154649935
Energy: 0.702652598059546
Energy: 0.6931023589706944
Energy: 0.7468251436826742
Energy: 0.7334672017837528
Energy: 0.763837974141916
Energy: 0.6571728090897899
Energy: 0.768812941681192
Energy: 0.7083268911098677
Energy: 0.6877499536001727
Energy: 0.7464189308494483
Energy: 0.7234283942507694
Energy: 0.6908960428384844
Energy: 0.7022428943699318
Energy: 0.7015858100652616
Energy: 0.6756737470669097
Energy: 0.7162233293008182
Energy: 0.728418175490277
Energy: 0.6554214201307497
Energy: 0.7025972660705698
Energy: 0.6986407667742324
Energy: 0.6545248910941728
Energy: 0.6914202603920284
Energy: 0.6841078697841552
Energy: 0.674854214500279
Energy: 0.672853348860685
Energy: 0.7498874404973609
Energy: 0.7186823740330356
Energy: 0.6783477186526511
Energy: 0.6298933766822755
Energy: 0.6847543652444417
Energy: 0.7195996694742228
Energy: 0.6963660760949835
Energy: 0.6308124803990273
Energy: 0.6768155211020724
Energy: 0.7198980664938844
Energy: 0.6510264003680879
Energy: 0.6708621851291338
Energy: 0.6432858436592113
Energy: 0.7195808771008839
Energy: 0.6352612698714654
Energy: 0.6486530158914308
Energy: 0.6641688880548562
Energy: 0.6944969339499222
Energy: 0.6777866439660399
Energy: 0.6378853815484176
Energy: 0.7117643835317015
Energy: 0.6526109829679435
Energy: 0.6460406166030547
Energy: 0.7213573275570142
Energy: 0.7109341725468008
Energy: 0.6643602728123941
Energy: 0.6588678917759734
Energy: 0.5772281938509308
Energy: 0.647811565006474
Energy: 0.6386518970715118
Energy: 0.6896350454827304
Energy: 0.6496180331449528
Energy: 0.676076286540563
Energy: 0.7137095804913536
Energy: 0.667373384219514
Energy: 0.6911252705622515
Energy: 0.7084918650032114
Energy: 0.6344188745133756
Energy: 0.6210837518803247
Energy: 0.6977273058513993
Energy: 0.6797879406548877
Energy: 0.6628308710329704
Energy: 0.6762039053008396
Energy: 0.7035648122082159
Energy: 0.6482786906220401
Energy: 0.670875645964623
Energy: 0.6589874469746446
Energy: 0.6761604837240902
Energy: 0.6214675554028658
Energy: 0.652120525858372
Energy: 0.681416728820526
Energy: 0.6968942239761047
Energy: 0.6430542904888683
Energy: 0.7042351676564824
Energy: 0.6640984141761787
Energy: 0.6903376822039874
Energy: 0.6359058200336923
Energy: 0.60284612193649
Energy: 0.6840355341405647
Energy: 0.67132534495127
Energy: 0.6705943473335282
Energy: 0.6219754449811541
Energy: 0.7283094791109428
Energy: 0.6374570456512555
Energy: 0.6536587392093522
Energy: 0.6477305458202005
Energy: 0.6583752629622862
Energy: 0.6690831877641541
Energy: 0.6579666929733444
Energy: 0.6433467414952965
Energy: 0.6295440964341306
Energy: 0.746679190551858
Energy: 0.6847628841841777
Energy: 0.7079428669040897
Energy: 0.6635012838671934
Energy: 0.6328400456202904
Energy: 0.6572946661970436
Energy: 0.6990835033455441
Energy: 0.6721349937938491
Energy: 0.6555452124304009
Energy: 0.6798576403538954
Energy: 0.6481918464704368
Energy: 0.6995053108306721
Energy: 0.6742610342567131
Energy: 0.6798939866463208
Energy: 0.698549788345634
Energy: 0.6666230864482009
Energy: 0.661697257172273
Energy: 0.6571448419550259
Energy: 0.6558563550236292
Energy: 0.7222484966418091
Energy: 0.6827107446826323
Energy: 0.6949597628470264
Energy: 0.694405079758729
Energy: 0.6550259041275773
Energy: 0.6895897721701469
Energy: 0.7007702812716244
Energy: 0.7322456372219655
Energy: 0.7368162307619673
Energy: 0.6503007672758131
Energy: 0.7068656235696275
Energy: 0.6666292314412402
Energy: 0.7146605423884526
Energy: 0.7448266319419768
Energy: 0.7338280666877692
Energy: 0.6850606091660928
Energy: 0.6636712344558773
Energy: 0.6985625101504869
Energy: 0.7162748478009664
Energy: 0.7015243684407301
Energy: 0.7654415777727605
Energy: 0.7281535414035697
Energy: 0.7235647476385122
Energy: 0.659371425803052
Energy: 0.7584588879204001
Energy: 0.6901645863950151
Energy: 0.6688467778585457
Energy: 0.7074848963255715
Energy: 0.732488235811538
Energy: 0.7205391744168227
Energy: 0.6824187659780895
Energy: 0.6758194739550643
Energy: 0.7018910027333056
Energy: 0.6782449811817647
Energy: 0.7106717526644393
Energy: 0.7410198715341901
Energy: 0.7346650925695529
Energy: 0.6944592545483343
Energy: 0.660700020198858
Energy: 0.6734522732988618
Energy: 0.6765096608502691
Energy: 0.7183801324184893

minimum gb energy = 0.5761052894643242 eV
minimum distance =  2.18831753285629 Angstroms
sigma value = 365


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

Energy: 0.9554719861299541
Energy: 0.9782265764683655
Energy: 0.8285175295682919
Energy: 0.8224458850572532
Energy: 0.8227160527468339
Energy: 0.8273877022229899
Energy: 0.8239304840620275
Energy: 0.7172603462875554
Energy: 0.9962019962424118
Energy: 0.712986578965811
Energy: 0.7152381765930068
Energy: 0.7148462221337858
Energy: 0.7149220672175978
Energy: 0.8567157501474633
Energy: 0.755904563988429
Energy: 1.000570800015909
Energy: 0.7211845314511449
Energy: 0.715140628214113
Energy: 0.71205694458984
Energy: 0.7192278818089454
Energy: 0.6744083661679725
Energy: 0.6817775986264665
Energy: 0.9544751583416087
Energy: 0.7163886221522274
Energy: 0.7149241814934438
Energy: 0.71501607484941
Energy: 0.7171697487291695
Energy: 0.6760322413696904
Energy: 0.7304879325566543
Energy: 0.9002853157150614
Energy: 0.6582882444317169
Energy: 0.8576331234304546
Energy: 0.7119852533332698
Energy: 0.6374179661125744
Energy: 0.8953330356451776
Energy: 0.957370945937698
Energy: 0.9747766223095228
Energy: 0.8314183399473091
Energy: 0.8216023744425425
Energy: 0.823717373551293
Energy: 0.8295220846190695
Energy: 0.7107097018880496
Energy: 0.7792986720413353
Energy: 0.9939368389972839
Energy: 0.7171863627975468
Energy: 0.717441972285374
Energy: 0.7149252803518774
Energy: 0.7176377283095602
Energy: 0.9800539622023994
Energy: 0.7283897511088362
Energy: 0.9970679879880094
Energy: 0.7191889197667065
Energy: 0.7138959342502887
Energy: 0.7100384864705575
Energy: 0.7199256197615896
Energy: 0.9846732973679232
Energy: 0.9572516107088187
Energy: 0.9882764290807313
Energy: 0.7173057022495197
Energy: 0.7136743603781566
Energy: 0.7168863743734958
Energy: 0.8305785950106154
Energy: 0.7097911851884535
Energy: 0.7332995751238854
Energy: 0.8955258489654248
Energy: 0.65712253415405
Energy: 0.8549497696914988
Energy: 0.8566867553190737
Energy: 0.6597923925723476
Energy: 0.8979498135976125
Energy: 0.7167339678509715
Energy: 0.9840726874509735
Energy: 0.7161250768752205
Energy: 0.7125412097078513
Energy: 0.7164573728681469
Energy: 0.7128569145899448
Energy: 0.7112925688627184
Energy: 0.7256107162240953
Energy: 0.9990777746035953
Energy: 0.7197769294088837
Energy: 0.7173305440723271
Energy: 0.7156684489564906
Energy: 0.7203553358124576
Energy: 0.985216376959159
Energy: 0.9075950744083536
Energy: 0.9953675664455335
Energy: 0.7152580532123844
Energy: 0.714650629184195
Energy: 0.7155273433773425
Energy: 0.7173590225886464
Energy: 0.8517912204339961
Energy: 0.95896209639769
Energy: 0.9796020073220344
Energy: 0.8314512305158878
Energy: 0.8228999961935397
Energy: 0.8230304693032775
Energy: 0.8293814987999489
Energy: 0.7114275301422073
Energy: 0.7267611547913255
Energy: 1.0024843961770147
Energy: 0.6591155629188121
Energy: 0.7168327744918797
Energy: 0.71897756670521
Energy: 0.7113790581598601
Energy: 0.9020061716282567
Energy: 0.6791360912829579
Energy: 1.0022592993013921
Energy: 0.7188843507546346
Energy: 0.7147737809505885
Energy: 0.7159194495844182
Energy: 0.7184826280171717
Energy: 0.6759104224470163
Energy: 0.6807920966223856
Energy: 1.0017035256088562
Energy: 0.7199944206621417
Energy: 0.7168460995973691
Energy: 0.7148016022305397
Energy: 0.7201672614438749
Energy: 0.6753955924235036
Energy: 0.7265943516178618
Energy: 0.9951452558848097
Energy: 0.7150972806061221
Energy: 0.7134201454933279
Energy: 0.712587801926795
Energy: 0.7115165931586097
Energy: 0.8573406586336978
Energy: 0.9592747766802795
Energy: 0.9873226520807357
Energy: 0.8312438913956303
Energy: 0.8220760045291031
Energy: 0.8231644286504933
Energy: 0.8275071378821438
Energy: 0.7943879944230998
Energy: 0.906718963938559
Energy: 0.9970111337206146
Energy: 0.7136875615437848
Energy: 0.7169950064301525
Energy: 0.7147124364793619
Energy: 0.7159919215277174
Energy: 0.8520054299146748

minimum gb energy = 0.6374179661125744 eV
minimum distance =  2.23154566491683 Angstroms
sigma value = 23