Model name: model_name=MEAM_LAMMPS_KoGrabowskiNeugebauer_2015_NiTi__MO_663355627503_001
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.5213917419314393
cohesive_energy=4.450350014970536
mass=58.6934
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=[2.46424379369004e-19, 3.2431099207764596e-19, 3.8238669070687797e-19, 4.2934809002605197e-19, 4.68817711404642e-19, 5.02724575509984e-19, 5.322430778147999e-19, 5.58159887046384e-19, 5.810293563201e-19, 6.01261642854252e-19, 6.1917237544573795e-19, 6.35011493649462e-19, 6.48982473897942e-19, 6.612487382078459e-19, 6.719496759463319e-19, 6.81202246007682e-19, 6.89110589873106e-19, 6.95759622904206e-19, 7.012278517560479e-19, 7.055809656706259e-19, 7.088798473600319e-19, 7.11180573006456e-19, 7.1252800355565e-19, 7.1296860213e-19, 7.12492755669702e-19, 7.109514617477939e-19, 7.081444482850259e-19, 7.038361953161999e-19, 6.977431175770979e-19, 6.895223492680439e-19, 6.787573244641979e-19, 6.64941755349216e-19, 6.474539973891059e-19, 6.2552981232945e-19, 5.982159050730179e-19, 5.6432346055738195e-19, 5.223480349232159e-19, 4.70376629269524e-19, 4.0594830028648193e-19, 3.2586510341262596e-19, 2.25913314100536e-19, 1.0047233650047659e-19, -5.806480382812079e-20, -2.60190281008332e-19, -5.206417168080059e-19, -8.605915550101259e-19, -1.3112662182113519e-18, -1.9200965434846197e-18, -2.76173595109116e-18, -3.95894641908132e-18, -5.724208612656179e-18, -8.450680656032999e-18, -1.2930478677061378e-17, -2.09550284137494e-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: 0.02215512856814031
Energy: 0.024895921885735216
Energy: 1.349705124007737
Energy: 1.3493714209291217
Energy: 1.2736694672885063
Energy: 0.49369210063516056
Energy: 0.022966462864714196
Energy: 0.02356141283870226
Energy: 1.266409897181137
Energy: 0.397165509909314
Energy: 0.8684574789496827
Energy: 0.8672885252227815
Energy: 0.023109116680607656
Energy: 0.14628432412559925
Energy: 0.022768645348130147
Energy: 1.2669248857290725
Energy: 0.8939380708206464
Energy: 0.8686333674765244
Energy: 0.8682573150911559
Energy: 0.14508207008755508
Energy: 0.1481019165445849
Energy: 0.025756238420297253
Energy: 0.9838883640303513
Energy: 0.8904331736503212
Energy: 1.2019441215079225
Energy: 1.266462422805799
Energy: 0.14536068898069293
Energy: 0.02399216073766179
Energy: 0.14542944973078994
Energy: 1.2705465739817172
Energy: 0.3971216889378578
Energy: 0.8677395834219419
Energy: 0.9806066909998541
Energy: 0.022943018991088273
Energy: 0.14503034578335972
Energy: 0.02292808413063818
Energy: 1.0104504398737766
Energy: 0.8943014435598547
Energy: 1.203115037470279
Energy: 0.9911038784635929
Energy: 0.14500104356357865
Energy: 0.14782779024851994

minimum gb energy = 0.02215512856814031 eV
minimum distance =  2.46782232795108 Angstroms
sigma value = 5


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

Energy: 1.6768944164516366
Energy: 1.7885643471207677
Energy: 1.800005731886557
Energy: 1.779463813326216
Energy: 1.8018835584786643
Energy: 1.810496148623722
Energy: 1.7688054831502134
Energy: 1.5229337636225788
Energy: 1.7111672376994955
Energy: 1.5772147137677048
Energy: 1.8291114828939552
Energy: 1.6163208374666962
Energy: 1.5875768072748313
Energy: 1.6748209680510446
Energy: 1.8107671162235601
Energy: 1.8114460839606839
Energy: 1.8228675091713873
Energy: 1.7859756976100034
Energy: 1.7965922328516946
Energy: 1.7429485987724431
Energy: 1.7643372873539143
Energy: 1.5779708970902584
Energy: 1.8258025645143778
Energy: 1.6133511285925726
Energy: 1.7637631269988596
Energy: 1.7743536370188746
Energy: 1.6649384792793762
Energy: 1.8697631472903447
Energy: 1.7671582980326317
Energy: 1.6746457981902343
Energy: 1.6626655780860058
Energy: 1.7235114601918058
Energy: 1.7537431720529468
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Energy: 1.7724268543867951
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Energy: 1.8523678599616482
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Energy: 1.7417029415589564
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Energy: 1.79745097343311
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Energy: 1.7671537071198253
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Energy: 1.6952556903973757
Energy: 1.5863403366487052
Energy: 1.8189810361618735
Energy: 1.6311262221814975
Energy: 1.7411744573839902
Energy: 1.6253518823712405
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Energy: 1.7862006717452403
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Energy: 1.6689184069973761
Energy: 1.7175880513085346
Energy: 1.7539124154161032
Energy: 1.823194259187217
Energy: 1.7749853730019367
Energy: 1.6365087565510514
Energy: 1.7868442984629465
Energy: 1.566326840426835
Energy: 1.6880118768013248
Energy: 1.7084590090793483
Energy: 1.6031369472626256
Energy: 1.6887271048751473
Energy: 1.7459243606059802
Energy: 1.6989377231440752
Energy: 1.707483698777511
Energy: 1.6980186080484805
Energy: 1.6993651412847661
Energy: 1.7344177763199387
Energy: 1.8173346235838026
Energy: 1.5668769479211528
Energy: 1.7344950942362691
Energy: 1.5777278654419682
Energy: 1.6972101564478241
Energy: 1.6751312550308282
Energy: 1.5848570148082854
Energy: 1.7960032728590178
Energy: 1.753863927069697
Energy: 1.7251007225820942
Energy: 1.7101081359896102
Energy: 1.8880332698688562
Energy: 1.8947478359146481
Energy: 1.7858399631893118
Energy: 1.7507425460295392
Energy: 1.5616555566828358
Energy: 1.705703395863371
Energy: 1.6683154010688914
Energy: 1.9269535187221525
Energy: 1.6502101289562454
Energy: 1.607843579441229
Energy: 1.6674772128185666
Energy: 1.6439789141077565
Energy: 1.724649708706312
Energy: 1.7348155022639264
Energy: 1.785013200305758
Energy: 1.7377162968186326
Energy: 1.7166736454054696
Energy: 1.7341112735722242

minimum gb energy = 1.5229337636225788 eV
minimum distance =  2.20538410501525 Angstroms
sigma value = 401


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

Energy: 1.7112833558161484
Energy: 1.5821360361046268
Energy: 1.7172534509340283
Energy: 1.8921102002296912
Energy: 2.05653402026297
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Energy: 1.7174749060178527
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Energy: 1.7632268090936025
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Energy: 1.7188798882048957
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Energy: 1.6012086454015568
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Energy: 1.5949033479987653
Energy: 1.5919619752981768
Energy: 1.5908150157432694
Energy: 1.8189843477602605
Energy: 1.7162706697506285
Energy: 1.6681763516275105
Energy: 1.6092919245942237
Energy: 1.5391458582499962
Energy: 1.5536421084627305
Energy: 1.581255600630363
Energy: 1.5759865102258794
Energy: 1.8180908896385501
Energy: 1.8284169954251692
Energy: 1.728465036080107
Energy: 1.6630217670639942
Energy: 1.7250754419584557
Energy: 1.6255901009243108
Energy: 1.7573012044493341
Energy: 1.7537531476076516
Energy: 1.6911184420618424
Energy: 1.6232337711095823
Energy: 1.5713897750522323
Energy: 1.7976312614748362
Energy: 1.582134058417281
Energy: 1.6484478333996366
Energy: 1.7487631284838514
Energy: 1.5648061412586174
Energy: 1.6312860386961214
Energy: 1.7587112585161566
Energy: 1.7187707458884502
Energy: 1.7232934249910348
Energy: 1.7456893690588735
Energy: 1.632387177145332
Energy: 1.5869012556190178
Energy: 1.5820453326022177
Energy: 1.6116046927054837
Energy: 1.528919746225692
Energy: 1.650941149413792
Energy: 1.5943764098196425
Energy: 1.6905391728018915
Energy: 1.5962571917376414
Energy: 1.5810018394041758
Energy: 1.6636997748455462
Energy: 1.672755783928011
Energy: 1.7489989407323183
Energy: 1.6934006087636306
Energy: 1.6895552790241286
Energy: 1.555609888253622
Energy: 1.7415442517327522
Energy: 1.5623561019011183
Energy: 1.6474159252436031
Energy: 1.874709315223534
Energy: 1.7181021312611162
Energy: 1.6881669793644303
Energy: 1.8355644365894108
Energy: 1.7422088135716058
Energy: 1.7111788103786787
Energy: 1.6981056195057858
Energy: 1.693719589300343
Energy: 1.735855474051628
Energy: 1.9119610608924373
Energy: 1.6396971235881177
Energy: 1.6259442717658918
Energy: 1.5882169239520012
Energy: 1.5947025787675466
Energy: 1.5788388637740527
Energy: 1.5647163543151084
Energy: 1.7586464964241892
Energy: 1.7545415936424347
Energy: 1.7357620996614846
Energy: 1.7848737596117301
Energy: 1.6447176143318056
Energy: 1.585027029828064
Energy: 1.8021659150185843
Energy: 1.6365038223556903
Energy: 1.612163367693429
Energy: 1.5802484740336615
Energy: 1.5059944908706988
Energy: 1.5676604775815448
Energy: 1.5800440738596986
Energy: 1.5310571626612837
Energy: 1.763291897505919
Energy: 1.8231782307068007
Energy: 1.7272631424599327
Energy: 1.6560370468667092
Energy: 1.7564507908014075
Energy: 1.6240885814129409
Energy: 1.7590715939026385
Energy: 1.7794169073161432
Energy: 1.590759738476732
Energy: 1.6903806029021369
Energy: 1.5589288004843225
Energy: 1.6313756568896933
Energy: 1.782930192359579
Energy: 1.6621642902398095
Energy: 1.7377090700474676
Energy: 1.677266374651113
Energy: 1.623928324100901
Energy: 1.7604866854385486
Energy: 1.7109636833709576
Energy: 1.813541632729538
Energy: 1.838024349259128
Energy: 1.671898245336623
Energy: 1.5998265727008822
Energy: 1.6711733183994635
Energy: 1.6368629041588088
Energy: 1.5394621293820976
Energy: 1.6216928389905845
Energy: 1.6679614918594088
Energy: 1.685374643930168

minimum gb energy = 1.5059944908706988 eV
minimum distance =  2.21803416567627 Angstroms
sigma value = 311


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

Energy: 1.6820296585422998
Energy: 1.7573622322567433
Energy: 1.7082947260084707
Energy: 1.6159050050631816
Energy: 1.7443521079798334
Energy: 1.6715519496149263
Energy: 1.8004325419359117
Energy: 1.6037752435222759
Energy: 1.5835735203407284
Energy: 1.589385516019406
Energy: 1.7024465674760283
Energy: 1.6993941122688276
Energy: 1.6000365008132547
Energy: 1.6932567214276946
Energy: 1.639593360094447
Energy: 1.6591638937843818
Energy: 1.645735230576529
Energy: 1.7360341489331435
Energy: 1.7423451272298762
Energy: 1.6583535004095777
Energy: 1.6581872270384472
Energy: 1.5865361784383396
Energy: 1.7615540712083086
Energy: 1.5870906580345958
Energy: 1.684223301265187
Energy: 1.742779913201168
Energy: 1.628836295053125
Energy: 1.806679851468104
Energy: 1.794635364230394
Energy: 1.7055660621898836
Energy: 1.6146408705009168
Energy: 1.7535940502875145
Energy: 1.6463455845627983
Energy: 1.7576070204967107
Energy: 1.7043911760951989
Energy: 1.7242375386983924
Energy: 1.6149600746203567
Energy: 1.5851412617220344
Energy: 1.5967816750688737
Energy: 1.5766799432733483
Energy: 1.6752598082141303
Energy: 1.6462223088756087
Energy: 1.6866503028316657
Energy: 1.6802548154603367
Energy: 1.712225478428729
Energy: 1.6045526018660234
Energy: 1.8167066550914526
Energy: 1.6781875349438684
Energy: 1.8338132621377081
Energy: 1.6429073854855438
Energy: 1.6026458401836514
Energy: 1.5753814405186997
Energy: 1.7264917122995247
Energy: 1.6788681533204297
Energy: 1.657382227706072
Energy: 1.726839499035422
Energy: 1.6812645370884873
Energy: 1.706256431725336
Energy: 1.6933288670520477
Energy: 1.6628221137423909
Energy: 1.6911525315214964
Energy: 1.6816292424046912
Energy: 1.693084749588523
Energy: 1.5560636578685632
Energy: 1.7582552230242436
Energy: 1.6267212476652102
Energy: 1.7049304467598347
Energy: 1.666877393428566
Energy: 1.583172762994624
Energy: 1.6609512384764238
Energy: 1.7347218888241962
Energy: 1.6916128807339335
Energy: 1.6289506306924415
Energy: 1.7942187391877398
Energy: 1.6894649060270746
Energy: 1.7744934151015361
Energy: 1.637547317370212
Energy: 1.5590006232539695
Energy: 1.6189710162674837
Energy: 1.5520196905405763
Energy: 1.5862823447289314
Energy: 1.5768667121139843
Energy: 1.6466895649730942
Energy: 1.6328432670203183
Energy: 1.7116407237208735
Energy: 1.6141537191232216
Energy: 1.7024236675824103
Energy: 1.6488194123289972
Energy: 1.8431423927830624
Energy: 1.6729144492169759
Energy: 1.682358232515499
Energy: 1.6418273882083863
Energy: 1.7099141448671145
Energy: 1.660541661310588
Energy: 1.685351380379389
Energy: 1.7238247222567507
Energy: 1.6593258372116262
Energy: 1.789018793487863
Energy: 1.7176502151190534
Energy: 1.6636344831802927
Energy: 1.6926875243963149
Energy: 1.7387316943090352
Energy: 1.7084236412164118
Energy: 1.6781529038910017
Energy: 1.7255706152014163
Energy: 1.5683079138375065
Energy: 1.7218554181510992
Energy: 1.5895118637666688
Energy: 1.6382240182501187
Energy: 1.6451058052068894
Energy: 1.5942584548952512
Energy: 1.5629628153394026
Energy: 1.7396977641527938
Energy: 1.7004638969266028
Energy: 1.6758825084694435
Energy: 1.7954805393133437
Energy: 1.6256653738293572
Energy: 1.7404735371505358
Energy: 1.6327998925863323
Energy: 1.5731846204672744
Energy: 1.6602179522417402
Energy: 1.7249559516701465
Energy: 1.5917989868050193
Energy: 1.576707331252134
Energy: 1.596158065267994
Energy: 1.6062286327566062
Energy: 1.704817765752262
Energy: 1.6323527957993176
Energy: 1.7533035135367676
Energy: 1.6099138745904678
Energy: 1.8011804164221572
Energy: 1.679199236060294
Energy: 1.7741384569340983
Energy: 1.6576742015124533
Energy: 1.7390764399132461
Energy: 1.6763025540076335
Energy: 1.7106977310968359
Energy: 1.712504115520408
Energy: 1.6724040245484306
Energy: 1.728182934410777
Energy: 1.6860952421081
Energy: 1.629257495910769
Energy: 1.6874752633274346
Energy: 1.7089867485355577
Energy: 1.7028679544120429
Energy: 1.6752079811675968
Energy: 1.7637026032128822
Energy: 1.5481881599672878
Energy: 1.679865474237708
Energy: 1.704937829630442
Energy: 1.586245866095429
Energy: 1.6289751317948782
Energy: 1.612383556159123
Energy: 1.6099276877890614
Energy: 1.7693086187678575
Energy: 1.7563534127851028
Energy: 1.7209381485945752
Energy: 1.7706807921707268
Energy: 1.648295537475087
Energy: 1.7613824521801578
Energy: 1.7116874224566885
Energy: 1.6446673336719992
Energy: 1.6496787484154245
Energy: 1.790921515980901
Energy: 1.5778218931563175
Energy: 1.591747253641713
Energy: 1.5680577746984306
Energy: 1.6581367897959651
Energy: 1.73248608959535
Energy: 1.6353327125418808
Energy: 1.735637364867876
Energy: 1.6893584221906874
Energy: 1.6704699328481152
Energy: 1.7098151748596704
Energy: 1.754226299641464
Energy: 1.6866925855177886
Energy: 1.7249584546572514
Energy: 1.6609912836543759
Energy: 1.7614744709377164
Energy: 1.6911773672501373
Energy: 1.6938454612101166
Energy: 1.7299198117153236
Energy: 1.6468895235310204
Energy: 1.606211826678529
Energy: 1.7304321412068868
Energy: 1.6315301970915073
Energy: 1.7548432305308899
Energy: 1.6184752758481626
Energy: 1.6887034723245042
Energy: 1.6062025534496676
Energy: 1.6191716845822537
Energy: 1.6278409662214666
Energy: 1.5801779546523658
Energy: 1.680701324996289
Energy: 1.5889059931669425
Energy: 1.5817814155181555
Energy: 1.7210432110029947
Energy: 1.6680542248911105
Energy: 1.6236665021630228
Energy: 1.784281771284224
Energy: 1.6477260021770368
Energy: 1.768657495669335
Energy: 1.6825612078416552
Energy: 1.6442026040953797
Energy: 1.6864288216316925
Energy: 1.6716352225153002
Energy: 1.6009287990048418
Energy: 1.5798786690620088
Energy: 1.6712442317168807
Energy: 1.728834203785064
Energy: 1.7297026763789347
Energy: 1.648003625430146
Energy: 1.718137980253357
Energy: 1.715575007226538
Energy: 1.7018387494677547
Energy: 1.6724469563182673
Energy: 1.7867157486790637
Energy: 1.66425736474679
Energy: 1.6893305342499059
Energy: 1.665157618619558
Energy: 1.7633765478096683
Energy: 1.7529687226728168
Energy: 1.717735428588028
Energy: 1.7286339017096595
Energy: 1.6375736290706278
Energy: 1.6215796360856292
Energy: 1.6710934012961698
Energy: 1.6077764885172154
Energy: 1.7626805963779881
Energy: 1.6137026817253832
Energy: 1.697351723856698
Energy: 1.7186127982877202
Energy: 1.6581468543468711
Energy: 1.6243254767361837
Energy: 1.7318332622734458
Energy: 1.6079566666782004
Energy: 1.7167270612569492
Energy: 1.6224666330959991
Energy: 1.7154836033779661
Energy: 1.6460257128653586
Energy: 1.6213637332726258
Energy: 1.7389049866223867
Energy: 1.6204459499231465
Energy: 1.7341255222822138
Energy: 1.6319577795264875
Energy: 1.6245676893213417
Energy: 1.6857757062828866
Energy: 1.6806173303234475
Energy: 1.6117333500787272
Energy: 1.7009805453877247
Energy: 1.6738129790769665
Energy: 1.6778376297913133

minimum gb energy = 1.5481881599672878 eV
minimum distance =  2.18757460957378 Angstroms
sigma value = 39


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

Energy: 1.5008431264248583
Energy: 1.4996175777288763
Energy: 1.8904807378130188
Energy: 1.8082107168752746
Energy: 1.6465185524536863
Energy: 1.6841263212447273
Energy: 1.5488186637473904
Energy: 1.4573100200082334
Energy: 1.5847939462025593
Energy: 1.6448417245231541
Energy: 1.5150842063249745
Energy: 1.5533099341682706
Energy: 1.5629171196614582
Energy: 1.5601814201406132
Energy: 1.5579265958137762
Energy: 1.5602706912056605
Energy: 1.5710214387988364
Energy: 1.5737763640474849
Energy: 1.5668444720499155
Energy: 1.5602796701256991
Energy: 1.556564668163688
Energy: 1.528169141922317
Energy: 1.5838431862507558
Energy: 1.621593712554902
Energy: 1.5869414210577502
Energy: 1.563548919771874
Energy: 1.6427012066936795
Energy: 1.6630231006417295
Energy: 1.5610071071410598
Energy: 1.499264000961958
Energy: 1.570050940564039
Energy: 1.603436608166679
Energy: 1.7091506270418595
Energy: 1.6086279274957922
Energy: 1.5645412570465298
Energy: 1.4581050033048246
Energy: 1.499690269668393
Energy: 1.5808231122530885
Energy: 1.879692745015449
Energy: 1.6166834285975715
Energy: 1.5555392271359836
Energy: 1.5598750495401938
Energy: 1.6491974135650693
Energy: 1.8788914535346144
Energy: 1.5680304398365532
Energy: 1.84881983870037
Energy: 1.5465847294466846
Energy: 1.4864316289356199
Energy: 1.5773048369964822
Energy: 1.4578890291858941
Energy: 1.587540009354005
Energy: 1.846266429873467
Energy: 1.5007107824459938
Energy: 1.6303440571880823
Energy: 1.6424022423768965
Energy: 1.5607049713748689
Energy: 1.4578224335038077
Energy: 1.5921312612356568
Energy: 1.8456885428615406
Energy: 1.5280753969358
Energy: 1.6579168346936708
Energy: 1.6492928069894448
Energy: 1.5599586659032172
Energy: 1.8564560561973715
Energy: 1.5481416319398285
Energy: 1.6503122496206992
Energy: 1.56470294701828
Energy: 1.5544441734554246
Energy: 1.565375659806723
Energy: 1.5796933218275375
Energy: 1.5260356430176767
Energy: 1.4990715280264815
Energy: 1.60283979316251
Energy: 1.5890883042904012
Energy: 1.5013507529434171
Energy: 1.5959005189819164
Energy: 1.6726671859641362
Energy: 1.5612005678859227
Energy: 1.4995419699378494
Energy: 1.5895873620728944
Energy: 1.5662702128534458
Energy: 1.5140812188306694
Energy: 1.644459890346253
Energy: 1.5780738937438932
Energy: 1.4568345561492797
Energy: 1.556117103604258
Energy: 1.6316448785072104
Energy: 1.6475816288009109
Energy: 1.5832738424868287
Energy: 1.645389242134412
Energy: 1.5606876558827378
Energy: 1.737607408053613
Energy: 1.4933887349710468
Energy: 1.6064017979603749
Energy: 1.8606206044957512
Energy: 1.4618285268669189
Energy: 1.4830857150415346
Energy: 1.5800701425160355
Energy: 1.457551327886523
Energy: 1.5960712838088307
Energy: 1.5663631104687985
Energy: 1.8502142057153927
Energy: 1.4617908314880066
Energy: 1.4612660559820776
Energy: 1.576833037223645
Energy: 1.5008781575574681
Energy: 1.5698433246209644
Energy: 1.84409438764345
Energy: 1.5918750380141131
Energy: 1.8048226181073301
Energy: 1.702501134873518
Energy: 1.4784954788759874
Energy: 1.5641560136829453
Energy: 1.5849092633380586
Energy: 1.6450299640344326
Energy: 1.5147597341527113
Energy: 1.5534338622217432
Energy: 1.562346919771125
Energy: 1.5599415931206162
Energy: 1.5615795700922124
Energy: 1.5590622120091606
Energy: 1.5709971244209346
Energy: 1.5736086368305435
Energy: 1.5674558499774538
Energy: 1.5896517134758243
Energy: 1.5571172411946639
Energy: 1.5501647629608821
Energy: 1.5838538441402341
Energy: 1.6215912113950635
Energy: 1.5876081943995615
Energy: 1.563445799484318
Energy: 1.6427304837576964
Energy: 1.663174921775906
Energy: 1.5609276516318118
Energy: 1.4991734519102324
Energy: 1.5700488436306428
Energy: 1.584575499312334
Energy: 1.7094813227771166
Energy: 1.6082488187501165
Energy: 1.564854853914242
Energy: 1.4779629264247234
Energy: 1.4999383530362784
Energy: 1.5844128709287588
Energy: 1.8789213741319
Energy: 1.6078152633601943
Energy: 1.4618428503966523
Energy: 1.5611857498648416
Energy: 1.649023330302827
Energy: 1.9076930951525386
Energy: 1.5677971598330978
Energy: 1.8477619624351918
Energy: 1.4624943110651079
Energy: 1.4866895359970436
Energy: 1.576785505967229
Energy: 1.4576838439549642
Energy: 1.5896773605926353
Energy: 1.846590824374494
Energy: 1.5832329294323246
Energy: 1.630661139558988
Energy: 1.6431251293763545
Energy: 1.5601089755306106
Energy: 1.457798971195841
Energy: 1.5935880349055875
Energy: 1.8436783022785594
Energy: 1.5283568639168488
Energy: 1.6564139169450427
Energy: 1.6488235533880686
Energy: 1.5599559675682317
Energy: 1.8574979959615774
Energy: 1.5476414561354712
Energy: 1.6507856430982488
Energy: 1.5649203346909908
Energy: 1.5535654080551988
Energy: 1.565760096358234
Energy: 1.5799629339649819
Energy: 1.5261114776923967
Energy: 1.498610958510106
Energy: 1.6028226908394057
Energy: 1.6993476439835267
Energy: 1.500829427469485
Energy: 1.6651073540923385
Energy: 1.6733767029970832
Energy: 1.5596943318689223
Energy: 1.4991682033914675
Energy: 1.5800019153158624
Energy: 1.566276420583577
Energy: 1.5156826268401205
Energy: 1.6283403520437574
Energy: 1.557546943151675
Energy: 1.4573518934161347
Energy: 1.556108242907113
Energy: 1.6307975089852262
Energy: 1.6470494965072306
Energy: 1.584441663710127
Energy: 1.6459678957336839
Energy: 1.5614820151513473
Energy: 1.737766244255837
Energy: 1.4934495584639431
Energy: 1.604136852315727
Energy: 1.860431072836523
Energy: 1.4602886728175035
Energy: 1.482972184101675
Energy: 1.5791658629213818
Energy: 1.4787581009611894
Energy: 1.5949378817126554
Energy: 1.566485306510724
Energy: 1.7903583758791992
Energy: 1.461828039434742
Energy: 1.4626986454557591
Energy: 1.5791825579418166

minimum gb energy = 1.4568345561492797 eV
minimum distance =  2.28004930475051 Angstroms
sigma value = 21


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

Energy: 1.8613494084026851
Energy: 1.8030011344156873
Energy: 1.8330661732842288
Energy: 1.9510319281225483
Energy: 1.6290625107889054
Energy: 1.7318237350571815
Energy: 1.8536107970321016
Energy: 1.7234886817259651
Energy: 1.6129825036756693
Energy: 1.7150294966475177
Energy: 1.7520470222352171
Energy: 1.8553357183780361
Energy: 1.7866274627783973
Energy: 1.9039538148685338
Energy: 1.607030231521656
Energy: 1.6104672501895694
Energy: 1.5961944973691478
Energy: 1.8147682665395424
Energy: 1.8424757289562042
Energy: 1.5348124652056618
Energy: 1.7609430600615155
Energy: 1.7982625643362762
Energy: 1.814878483087372
Energy: 1.638762665377154
Energy: 1.7284371438395203
Energy: 1.6253245036406272
Energy: 1.6102600289943167
Energy: 1.7091059923107657
Energy: 1.5377354419638682
Energy: 1.5373349408514783
Energy: 1.5029451405850394
Energy: 1.5592616955350078
Energy: 1.6583258674843235
Energy: 1.5280032921379254
Energy: 1.565143513390009
Energy: 1.4915400437192845
Energy: 1.5377909546103488
Energy: 1.74142251263108
Energy: 1.7813326693320006
Energy: 1.7357993567930947
Energy: 1.7306901177800296
Energy: 1.5677148781859032
Energy: 1.8627111496995685
Energy: 1.7256924858402216
Energy: 1.6099197057148378
Energy: 1.5375454202183192
Energy: 1.5495694393896216
Energy: 1.488101112776452
Energy: 1.6048857824246405
Energy: 1.7162945611608937
Energy: 1.6095705074786952
Energy: 1.6082512809892875
Energy: 1.6499252809282496
Energy: 1.701307137626834
Energy: 1.567718501512836
Energy: 1.5590583222629992
Energy: 1.6070864012254398
Energy: 1.596224703767623
Energy: 1.73790958501019
Energy: 1.7074376885462108
Energy: 1.821515667689567
Energy: 1.6930876330694233
Energy: 1.9282671333244785
Energy: 1.7236038352204495
Energy: 1.8628879528024493
Energy: 1.6444344641066067
Energy: 1.7371865428942235
Energy: 1.522826394228363
Energy: 1.731184249318696
Energy: 1.8026114993119124
Energy: 1.5070619950836321
Energy: 1.7407180166716396
Energy: 1.6158880489657854
Energy: 1.869609962233188
Energy: 1.6075203077879738
Energy: 1.7800662179971907
Energy: 1.9069469749411228
Energy: 1.6176355625012315
Energy: 1.6562339946964668
Energy: 1.724598661098175
Energy: 2.0126522619510254
Energy: 1.779440961006517
Energy: 1.7793664824984146
Energy: 1.8865849197299682
Energy: 1.7734908356668766
Energy: 1.8098067444103885
Energy: 1.8750088554857063
Energy: 1.8177999391311563
Energy: 1.7095594599353006
Energy: 1.722848906425813
Energy: 1.7882164345366232
Energy: 1.716348675436744
Energy: 1.7844371733549291
Energy: 1.7903187492931947
Energy: 1.7685160912695608
Energy: 1.691943644016057
Energy: 1.7406758888753493
Energy: 1.9058748046726914
Energy: 1.6197476884107898
Energy: 1.5591863912213122
Energy: 1.6309469117188389
Energy: 1.8086829439131067
Energy: 1.8575747209540114
Energy: 1.858852778502924
Energy: 1.672922142999026
Energy: 1.7730628245933966
Energy: 1.7182219146284563
Energy: 1.638718411213588
Energy: 1.8262963742871832
Energy: 1.6161743255961354
Energy: 1.60638966922529
Energy: 1.9295861930331708
Energy: 1.5445687262861212
Energy: 1.6485577306682722
Energy: 1.6906273263662506
Energy: 1.5888372213253028
Energy: 1.614648989133702
Energy: 1.7928805995297914
Energy: 1.558573374581702
Energy: 1.4864155768671825
Energy: 1.5370684741618066
Energy: 1.6714286710959372
Energy: 1.7825200611485337
Energy: 1.605943357047497
Energy: 1.8218420255389585
Energy: 1.7961891929580378
Energy: 1.7148158596908663
Energy: 1.5247724095457174
Energy: 1.6231646029039442
Energy: 1.607801671719091
Energy: 1.5478254754263712
Energy: 1.4877924650819596
Energy: 1.5160700523363437
Energy: 1.632786223338693
Energy: 1.6031377730247385
Energy: 1.604776351788189
Energy: 1.533732667248312
Energy: 1.597135342653742
Energy: 1.497568941214291
Energy: 1.5304923597597848
Energy: 1.6066770116125408
Energy: 1.5892515578374096
Energy: 1.8229628033414336
Energy: 1.7664444779474415
Energy: 1.804014280702921
Energy: 1.8383985082407297
Energy: 1.7381849973158463
Energy: 1.5076641159651023
Energy: 1.807942923525855
Energy: 1.680790374869469
Energy: 1.6363355650634632
Energy: 1.7397627605541774
Energy: 1.8502083053744602
Energy: 1.735441609365025
Energy: 1.8176198589344739
Energy: 1.7875695139917056
Energy: 1.8033992266334418
Energy: 1.95784857038605
Energy: 1.653965682348334
Energy: 1.6758959419819321
Energy: 1.9302134866186593
Energy: 1.604871114266414
Energy: 1.5600926158410473
Energy: 1.5998670273878688
Energy: 2.027040795633748
Energy: 1.8588120710562341
Energy: 1.8549198634973305
Energy: 1.7218822194747936
Energy: 1.7165792702693392
Energy: 1.8567012435665864
Energy: 2.0298616739434925
Energy: 1.9612014757134442
Energy: 1.6527303501347606
Energy: 1.6741869060533634
Energy: 1.9081665735899176

minimum gb energy = 1.4864155768671825 eV
minimum distance =  2.19561511786682 Angstroms
sigma value = 113


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

Energy: 1.794918192779223
Energy: 2.0906615469770813
Energy: 1.9165909524767217
Energy: 1.899114162245859
Energy: 1.8636320794042793
Energy: 1.8829112215288877
Energy: 2.025348255765907
Energy: 1.9244563197220945
Energy: 1.9008923750604405
Energy: 1.9404644811988145
Energy: 1.935000813161718
Energy: 1.9629605306829925
Energy: 1.9036399625643639
Energy: 2.052339523098212
Energy: 1.9626371848135753
Energy: 1.8998126368797215
Energy: 1.8226757143597003
Energy: 1.8865630942835578
Energy: 1.9088348233042465
Energy: 1.8172451395812566
Energy: 1.981142365239801
Energy: 1.828792636090059
Energy: 1.9724570080437902
Energy: 1.7943329126918954
Energy: 1.8277334747306866
Energy: 1.8219304432952237
Energy: 1.7960070687429308
Energy: 1.9043340778930473
Energy: 1.7926952771656803
Energy: 1.868587977807896
Energy: 1.8178096027199717
Energy: 1.8248840271841948
Energy: 1.809733516386619
Energy: 1.7954576768540287
Energy: 1.8846869149326557
Energy: 1.6328399756424425
Energy: 1.760646043354271
Energy: 1.7928600766503833
Energy: 1.7480638582895311
Energy: 1.6997027476552151
Energy: 1.6916832040484677
Energy: 1.807729720433262
Energy: 1.8755125719832242
Energy: 1.7749021877785014
Energy: 1.7828521745313746
Energy: 1.7875119586081394
Energy: 1.8470286911248384
Energy: 1.8612790549619027
Energy: 1.8873984408516513
Energy: 1.7735576900989947
Energy: 1.6562777800927868
Energy: 1.8035955067847962
Energy: 1.8774816660615112
Energy: 1.8097917368598213
Energy: 1.8717966004745887
Energy: 1.713440749847919
Energy: 1.7803700224516836
Energy: 1.7807869440632962
Energy: 1.7776368004191654
Energy: 1.7350492577687102
Energy: 1.7403382620117092
Energy: 1.8455594692379795
Energy: 1.7677521571797916
Energy: 1.817742697358449
Energy: 1.8135535831954204
Energy: 1.8662012667188084
Energy: 1.6526333840927458
Energy: 1.718166844622544
Energy: 1.698507135985268
Energy: 1.7064939232635679
Energy: 1.8508988721974797
Energy: 1.7170743819923617
Energy: 1.8120937469302432
Energy: 1.6157224983154241
Energy: 1.7705941882918286
Energy: 1.7485597057908935
Energy: 1.7398229260728773
Energy: 1.7520411158211924
Energy: 1.7203449937319737
Energy: 1.8389126531900248
Energy: 1.7888082941274424
Energy: 1.7587060209107632
Energy: 1.7718654141548618
Energy: 1.8566992903273976
Energy: 1.8789363882700139
Energy: 1.6119609609517083
Energy: 1.7609308779415378
Energy: 1.777035325832201
Energy: 1.8175044375986504
Energy: 1.8031233550859143
Energy: 1.6704625738433618
Energy: 1.864051510855342
Energy: 1.7963746966880676
Energy: 1.7737017265958495
Energy: 1.7203472843084326
Energy: 1.6315706487585158
Energy: 1.941686715689235
Energy: 1.7835415200458182
Energy: 1.6673854273032018
Energy: 1.820717911893941
Energy: 1.7752759263609037
Energy: 1.6534167645242257
Energy: 1.6893100086033013
Energy: 1.8556491504751278
Energy: 1.7543194625380243
Energy: 1.7831701075304487
Energy: 1.757049955339048
Energy: 1.851422756698471
Energy: 1.8017883645726074
Energy: 1.8008577800465604
Energy: 1.82553414265286
Energy: 1.8099570412062373
Energy: 1.8243754365803186
Energy: 1.89401389276498
Energy: 1.7286333656825787
Energy: 1.835818522024926
Energy: 1.8130592202718117
Energy: 1.7936214310512868
Energy: 1.9479690909654752
Energy: 1.7076102550380157
Energy: 1.819583437140025
Energy: 1.8070445170437295
Energy: 1.7978759432211717
Energy: 1.7901172770186697
Energy: 1.815229574817635
Energy: 1.7880511305976956
Energy: 1.9711626677701741
Energy: 1.960744777785466
Energy: 1.8211140017580378
Energy: 1.9237080433798468
Energy: 1.9426633329458203
Energy: 1.9684291774028064
Energy: 1.949690204525183
Energy: 1.8207577241103576
Energy: 2.0189600271191983
Energy: 1.8032643725934938
Energy: 1.917058526920998
Energy: 1.801253657734282
Energy: 1.8835594465390195
Energy: 2.004067531062784
Energy: 1.9546827244693643
Energy: 1.986683682855656
Energy: 1.798732803805358
Energy: 2.003319940380181
Energy: 1.8822011498626146
Energy: 1.7999694492452116
Energy: 2.0744108395411476
Energy: 1.8733582121745718
Energy: 1.9957026994943399
Energy: 1.8228668404128592
Energy: 2.083804014013366
Energy: 1.886616875180455
Energy: 1.7866204358167597
Energy: 2.0941464547177224
Energy: 1.789323327147662
Energy: 2.000699754780428
Energy: 1.9206138732471731
Energy: 1.8978154746624263
Energy: 1.8634919231331861
Energy: 1.8821300364418607
Energy: 2.0187300063531817
Energy: 2.0158281438863708
Energy: 1.9872437583303812
Energy: 1.9304069004581874
Energy: 1.8874758888714587
Energy: 1.8928986066813716
Energy: 1.932031947093355
Energy: 2.056483574122374
Energy: 1.8152758034014562
Energy: 1.9008821935294724
Energy: 1.8189013583560298
Energy: 1.8859201669673835
Energy: 1.8210295080976637
Energy: 1.8286421290029995
Energy: 1.9321165598769514
Energy: 1.8137518183745902
Energy: 1.979213917278878
Energy: 1.795996515378033
Energy: 1.8242923984899362
Energy: 1.8211265411694302
Energy: 1.797476012499377
Energy: 2.0934801895015323
Energy: 1.8146836597211768
Energy: 1.886668045351026
Energy: 1.8040694734033584
Energy: 1.8096909531011607
Energy: 1.8154157700144895
Energy: 1.8109693174060113
Energy: 1.8824198614667298
Energy: 1.6315683350701342
Energy: 1.8272623322764874
Energy: 1.7968572981554092
Energy: 1.8039611115589698
Energy: 1.699144568381055
Energy: 1.6914005247918955
Energy: 1.8126524825509773
Energy: 1.877445908890332
Energy: 1.7783012305740613
Energy: 1.716665490925646
Energy: 1.7331380316506166
Energy: 1.829666649124796
Energy: 1.8347453986807825
Energy: 1.8925609675809636
Energy: 1.7921454064323712
Energy: 1.674753927871955
Energy: 1.7549608056315122
Energy: 1.8793479106240774
Energy: 1.846038463269965
Energy: 1.7993367295083922
Energy: 1.683759843082937
Energy: 1.6722657106600536
Energy: 1.7805180224075652
Energy: 1.8063649526290022
Energy: 1.7727632340824389
Energy: 1.7417910164384414
Energy: 1.8347880586981735
Energy: 1.8057150723209947
Energy: 1.8705646433114589
Energy: 1.8237670142390114
Energy: 1.874045954693808
Energy: 1.6132624816636854
Energy: 1.6639922956162851
Energy: 1.788710875220503
Energy: 1.7077682550082656
Energy: 1.822074321693235
Energy: 1.6980878104776154
Energy: 1.7701255262207953
Energy: 1.624189512854846
Energy: 1.792409129342092
Energy: 1.7398703139417482
Energy: 1.7364406459053179
Energy: 1.7620974888055825
Energy: 1.7242126081111189
Energy: 1.8394339994865507
Energy: 1.7776240272701387
Energy: 1.7676946337092052
Energy: 1.7711059707600605
Energy: 1.8678347797734014
Energy: 1.8801088110449398
Energy: 1.6366099360722939
Energy: 1.8023752158688386
Energy: 1.779154639919845
Energy: 1.8559994462306812
Energy: 1.8149159681237483
Energy: 1.6700032956346869
Energy: 1.8116722493979218
Energy: 1.7672395916045696
Energy: 1.8666751480428188
Energy: 1.7508700735401164
Energy: 1.8485926343483232
Energy: 1.9155264703980774
Energy: 1.8072204736469104
Energy: 1.6379099365495444
Energy: 1.8257112845535441
Energy: 1.7784596652348819
Energy: 1.6682948818449643
Energy: 1.683858533740768
Energy: 1.7362339861187464
Energy: 1.754540210030204
Energy: 1.7896519339512464
Energy: 1.7667243079029276
Energy: 1.8506415949285246
Energy: 1.7164142528378727
Energy: 1.812475351596032
Energy: 1.818181410994946
Energy: 1.7662115452141138
Energy: 1.8190787097769063
Energy: 1.9963621212185292
Energy: 1.7260175982930177
Energy: 1.833682263009887
Energy: 1.8102492986704157
Energy: 1.7137225311899094
Energy: 1.9604815109933615
Energy: 1.7145563153065253
Energy: 1.8368258853745223
Energy: 1.809980368814318
Energy: 1.798975975538867
Energy: 1.864587166052271
Energy: 1.7868102061764917
Energy: 1.8235400336782615
Energy: 1.8592781248898478
Energy: 1.901078901813525
Energy: 1.874047558984337
Energy: 1.927145496605754
Energy: 1.9397187010617238
Energy: 1.9534346351852319
Energy: 1.9478582797683937
Energy: 1.8058288695308853
Energy: 2.0121801735967257
Energy: 1.8017868944874942
Energy: 1.9201673254123017
Energy: 1.7992333484321472
Energy: 1.8820373058481925
Energy: 2.015562342490265
Energy: 1.954432425607833
Energy: 1.932710627197572
Energy: 1.8011513421968188
Energy: 2.0526211383443695
Energy: 1.8810364190679936
Energy: 1.782723388318888
Energy: 2.0706647030323224
Energy: 1.8709185470594893
Energy: 1.9696980511254205
Energy: 1.7962616974688357
Energy: 2.0118876530108643
Energy: 1.8841447441515804
Energy: 1.7775777348062203
Energy: 2.07942341244689
Energy: 1.7856106123471092
Energy: 1.9224110153911236
Energy: 1.8996081708639663
Energy: 1.8978945068987771
Energy: 1.8601295104237643
Energy: 1.8823322216732814
Energy: 2.003676692706637

minimum gb energy = 1.6119609609517083 eV
minimum distance =  2.15916638303745 Angstroms
sigma value = 365


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

Energy: 1.6737357600534226
Energy: 1.5681860415714306
Energy: 1.654210623749598
Energy: 1.6049141672576062
Energy: 1.6067354387005723
Energy: 1.6137117174283104
Energy: 1.5682318417971952
Energy: 1.545049907493018
Energy: 1.9139878132708272
Energy: 1.5737451117397425
Energy: 1.5893185113366275
Energy: 1.5887227602531742
Energy: 1.5742758462430775
Energy: 1.9143228542082327
Energy: 1.5925869342992638
Energy: 1.876180018556757
Energy: 1.5767477726527157
Energy: 1.5975687643535295
Energy: 1.599465104673749
Energy: 1.5755777321799607
Energy: 1.568408738666082
Energy: 1.5935015910090429
Energy: 1.870211418882823
Energy: 1.5772592131855527
Energy: 1.5778213641811754
Energy: 1.5758263392582759
Energy: 1.575261926901743
Energy: 1.568890694274309
Energy: 1.5449578009454275
Energy: 1.9153817765832344
Energy: 1.5463543203897034
Energy: 1.8946506477332516
Energy: 1.5616420284434653
Energy: 1.5485681004177985
Energy: 1.8966368987271862
Energy: 1.6653517913904212
Energy: 1.8713062271916308
Energy: 1.6555217429719906
Energy: 1.6028292256325822
Energy: 1.603862604652149
Energy: 1.6080769708881002
Energy: 1.5689379783111126
Energy: 1.5832003584701293
Energy: 1.912882410192088
Energy: 1.573967295835882
Energy: 1.5876114600092206
Energy: 1.5857303879843232
Energy: 1.5773469640613977
Energy: 1.9134339837058272
Energy: 1.5926997629080106
Energy: 1.8842643077212604
Energy: 1.577636506687835
Energy: 1.6005725271803712
Energy: 1.5859612668294607
Energy: 1.5767233537541085
Energy: 1.9118529511641817
Energy: 1.6664712023170147
Energy: 1.9012019435733871
Energy: 1.5771791333677727
Energy: 1.6018159100584133
Energy: 1.601943842455316
Energy: 1.5772051400799154
Energy: 1.5694776712734468
Energy: 1.5455932768001792
Energy: 1.8977387382578796
Energy: 1.5469077399147892
Energy: 1.8946450412078915
Energy: 1.8948008847864963
Energy: 1.5481889081713165
Energy: 1.8982551655049797
Energy: 1.6675988502455157
Energy: 1.8896270226594207
Energy: 1.5775303538371714
Energy: 1.599597432137059
Energy: 1.5765946329862577
Energy: 1.576422987665408
Energy: 1.5705475585541995
Energy: 1.592601220773605
Energy: 1.8776119616798144
Energy: 1.5781659144595226
Energy: 1.599982094875571
Energy: 1.600458768541734
Energy: 1.5759877206942081
Energy: 1.9130153519542699
Energy: 1.583003778994714
Energy: 1.8832155472996508
Energy: 1.5736436146269948
Energy: 1.5877358374461512
Energy: 1.5855193243392447
Energy: 1.5758721785247227
Energy: 1.912763838735347
Energy: 1.6742721049201095
Energy: 1.8722700397457743
Energy: 1.6553254324827802
Energy: 1.6034404730649074
Energy: 1.6055031020850248
Energy: 1.6077409914088299
Energy: 1.5701064898382662
Energy: 1.544988978906438
Energy: 1.9129718770773714
Energy: 1.5454687123626671
Energy: 1.5617435975825444
Energy: 1.5890068380078965
Energy: 1.5807999017948746
Energy: 1.91484794345086
Energy: 1.5932569095442273
Energy: 1.8715850864242658
Energy: 1.5766985107114802
Energy: 1.59636548145478
Energy: 1.5770220400958523
Energy: 1.5752793087404091
Energy: 1.5687402860428972
Energy: 1.5928149649785743
Energy: 1.8745113125856576
Energy: 1.5772538814555435
Energy: 1.5972845722199227
Energy: 1.5761969482217961
Energy: 1.575092691446069
Energy: 1.5679616768536349
Energy: 1.5450060875539453
Energy: 1.914812296395524
Energy: 1.5738932848906513
Energy: 1.5901760417599713
Energy: 1.5899960477938764
Energy: 1.5809886962147406
Energy: 1.914273895607784
Energy: 1.6735537388708006
Energy: 1.8746142724474222
Energy: 1.6550894476101872
Energy: 1.6046304665358218
Energy: 1.6063697888172779
Energy: 1.6080645212104363
Energy: 1.5680865299286526
Energy: 1.5851220610783654
Energy: 1.882824410608188
Energy: 1.5739649345800713
Energy: 1.5890315598498608
Energy: 1.583534075838535
Energy: 1.573624905841191
Energy: 1.9137823518844577

minimum gb energy = 1.5449578009454275 eV
minimum distance =  2.19162684254911 Angstroms
sigma value = 23