Model name: model_name=MEAM_LAMMPS_ChoiKimSeol_2017_NiMn__MO_348689608050_000
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=3.521391771733761
cohesive_energy=4.450349977866793
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.02221872678192304
Energy: 0.6789245346004963
Energy: 1.7768966547472593
Energy: 0.6788584016283995
Energy: 0.02221872678192304
Energy: 0.6789245346004963
Energy: 0.4047341643769698
Energy: 0.7379013695865173
Energy: 0.022396681133201174
Energy: 0.36401157869327155
Energy: 0.022440700811348687
Energy: 0.7379013695865173
Energy: 0.022396681133201174
Energy: 0.36401157869327155
Energy: 0.02221872678192304
Energy: 0.6789245346004963
Energy: 1.9558572462651371
Energy: 0.6788584016283995
Energy: 0.02221872678192304
Energy: 0.6789245346004963
Energy: 0.4047341643769698
Energy: 0.7379013695865173
Energy: 0.022396681130562594
Energy: 0.36401157869327155
Energy: 0.022440700811348687
Energy: 0.7379013695865173
Energy: 0.022396681133201174
Energy: 0.36401157869327155
Energy: 0.02221872678192304
Energy: 0.6789245346004963
Energy: 0.7386293016214712
Energy: 0.6788584016283995
Energy: 0.02221872678192304
Energy: 0.6789245346004963
Energy: 0.4047341643769698
Energy: 0.7379013695865173
Energy: 0.022396681133201174
Energy: 0.36401157869327155
Energy: 0.022440700811348687
Energy: 0.7379013695865173
Energy: 0.022396681133201174
Energy: 0.36401157869327155

minimum gb energy = 0.02221872678192304 eV
minimum distance =  2.47155951260648 Angstroms
sigma value = 5


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

Energy: 1.7416279476843308
Energy: 1.7355494198889838
Energy: 1.8676506080419473
Energy: 1.735916096810848
Energy: 1.7416279476875542
Energy: 1.7355494198986543
Energy: 1.8892464923804007
Energy: 1.6273978651366836
Energy: 1.631874862618659
Energy: 1.7523982247898526
Energy: 1.6627115378810269
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Energy: 1.7523982247834058
Energy: 1.624890127965059
Energy: 1.6430505544421485
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Energy: 1.6428886499661983
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Energy: 1.643050554432537
Energy: 1.8315768714647969
Energy: 1.7424820484429586
Energy: 1.694078737571108
Energy: 1.8086359957722369
Energy: 1.6558881848933404
Energy: 1.742482048439735
Energy: 1.694078737571108
Energy: 1.8086359957786837
Energy: 1.6308975448831264
Energy: 1.6054202168273422
Energy: 1.8546205848637092
Energy: 1.684874695580116
Energy: 1.6308975448799028
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Energy: 1.854620584870156
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Energy: 1.7254637681188938
Energy: 1.6922762394692612
Energy: 1.627072095859796
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Energy: 1.7090590990082772
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Energy: 1.69113125345669
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Energy: 1.6445370306341391
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Energy: 1.6454235770787458
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Energy: 1.7813287408019691
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Energy: 1.6319379762051822
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Energy: 1.6970716297831476
Energy: 1.6424128211316356
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Energy: 1.879167941874666
Energy: 1.6720456023918204
Energy: 1.795006943695425
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Energy: 1.8791679418778895
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Energy: 1.6441983491770238
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Energy: 1.891917059417444
Energy: 1.7520177307973992
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Energy: 1.796324038058751
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Energy: 1.6351301780656495
Energy: 1.6539020856168176
Energy: 1.7121500375545193
Energy: 1.6629637024567774
Energy: 1.6351301780656495
Energy: 1.653902085613594
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Energy: 1.6043790879165047
Energy: 1.801220317311666
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Energy: 1.700953035676217
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Energy: 1.6525150445418018
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Energy: 1.9050239330824719
Energy: 1.6251385314396647
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Energy: 1.6626659497956027
Energy: 1.6293081282931423
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Energy: 1.7455086976042857
Energy: 1.662665949792379
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Energy: 1.750340061203581
Energy: 1.7274599384345963
Energy: 1.6402154028032345
Energy: 1.7482461631080806
Energy: 1.6443081166910447
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Energy: 1.6402154028064582
Energy: 1.7482461631177515
Energy: 1.7416657264479818
Energy: 1.6877871722347975
Energy: 1.8398034649984498
Energy: 1.6898424411695665
Energy: 1.7416657264544286
Energy: 1.687787172231574
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Energy: 1.6745368952964494
Energy: 1.656910079941228
Energy: 1.8533819859198675
Energy: 1.640298551318267
Energy: 1.674536895293226
Energy: 1.656910079941228
Energy: 1.8533819859198675
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Energy: 1.682814067570565
Energy: 1.875279564967591
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Energy: 1.732818012084093
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Energy: 1.672230144172811
Energy: 1.6965134998480416
Energy: 1.6784729274160537
Energy: 1.625209714067862
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Energy: 1.6597231605018832
Energy: 1.685370669738904
Energy: 1.9207673048508265
Energy: 1.6365543974834431
Energy: 1.6597231604922122
Energy: 1.6853706697356805
Energy: 1.9207673048540501
Energy: 1.663372169790973
Energy: 1.6263424242250508
Energy: 1.908596774687314
Energy: 1.6896963840551509
Energy: 1.663372169790973
Energy: 1.6263424242314979
Energy: 1.9085967746905372
Energy: 1.6251381086061736
Energy: 1.6331187637091775
Energy: 1.6845012238524826
Energy: 1.7131120044054342
Energy: 1.62513810860295
Energy: 1.6331187637059543
Energy: 1.6845012238524826
Energy: 1.6265345414621337
Energy: 1.7270532801905845
Energy: 1.8576608101723944
Energy: 1.6478443914032206
Energy: 1.6265345414653576
Energy: 1.727053280187361
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Energy: 1.6510283829381467
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Energy: 1.6433597171041867
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Energy: 1.6510283829413703
Energy: 1.819135767216546
Energy: 1.6224799810204027
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Energy: 1.7825219612550725
Energy: 1.6428451475241606
Energy: 1.6224799810236263
Energy: 1.6552890124832609
Energy: 1.7825219612550725
Energy: 1.6633888480107437
Energy: 1.6658921405548515
Energy: 1.835975128285457
Energy: 1.6699113427486105
Energy: 1.6633888480107437
Energy: 1.6658921405484044
Energy: 1.835975128285457
Energy: 1.6836902893081325
Energy: 1.8114982029730784
Energy: 1.8132425363860547
Energy: 1.7466988933907377
Energy: 1.6836902893049093
Energy: 1.8114982029795255
Energy: 1.8132425363925018
Energy: 1.690041098699583
Energy: 1.6458430343931703
Energy: 1.7783593159327278
Energy: 1.683667255080614
Energy: 1.690041098699583
Energy: 1.6458430343867232
Energy: 1.7783593159327278
Energy: 1.681418689744237
Energy: 1.6421116681880799
Energy: 1.8237035455289432
Energy: 1.6608284616108686
Energy: 1.6814186897506838
Energy: 1.6421116681816323
Energy: 1.8237035455257198
Energy: 1.794081366549337
Energy: 1.6702630881717477
Energy: 1.8287674373649374
Energy: 1.6953575845929796
Energy: 1.794081366549337
Energy: 1.6702630881620768
Energy: 1.8287674373649374
Energy: 1.680891607125485
Energy: 1.6898988950457028
Energy: 1.8090315584767798
Energy: 1.6986931462660657
Energy: 1.6808916071222613
Energy: 1.6898988950457028
Energy: 1.8090315584735561
Energy: 1.6198942685016697
Energy: 1.6446053514086663
Energy: 1.8800354570816078
Energy: 1.657315458117374
Energy: 1.6198942684952227
Energy: 1.6446053514151133
Energy: 1.8800354570848314
Energy: 1.6270920562105229
Energy: 1.7015255798602598
Energy: 1.8856053137133275
Energy: 1.7754690901012882
Energy: 1.627092056216911
Energy: 1.7015255798634832
Energy: 1.8856053137101039
Energy: 1.6047779738951002
Energy: 1.7083557315536073
Energy: 1.6951144994699983
Energy: 1.6275561722266496
Energy: 1.6047779738951002
Energy: 1.7083557315600544
Energy: 1.6951144994732217

minimum gb energy = 1.6043790879100577 eV
minimum distance =  2.22209853753492 Angstroms
sigma value = 401


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

Energy: 1.7415481491660838
Energy: 1.6663906579481746
Energy: 1.8915505080666406
Energy: 1.663871306408187
Energy: 1.7415481491660838
Energy: 1.6663906579481746
Energy: 1.8887254294903473
Energy: 1.6181725415998673
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Energy: 1.773353182751478
Energy: 1.6540904858154153
Energy: 1.6181725415998673
Energy: 1.7561386068099967
Energy: 1.7697446413025752
Energy: 1.6369158981133118
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Energy: 1.8086888859657801
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Energy: 1.640902225793698
Energy: 1.808688885962121
Energy: 1.6752020705651853
Energy: 1.6773359204825105
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Energy: 1.6457518465769345
Energy: 1.6752020705615265
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Energy: 1.8141476797486227
Energy: 1.6879021543959816
Energy: 1.6651226996847253
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Energy: 1.6238079719978638
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Energy: 1.6731798183897963
Energy: 1.6238079719942047
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Energy: 1.6605635201032591
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Energy: 1.901191729904041
Energy: 1.6922016088974692
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Energy: 1.6453250477680834
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Energy: 1.6330135850147351
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Energy: 1.7946980329647813
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Energy: 1.8887254294903473
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Energy: 1.6752020705615265
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Energy: 1.720116031914957
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Energy: 1.673944423587272
Energy: 1.7001007678088518
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Energy: 1.63502806930284
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Energy: 1.7703899519199753
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Energy: 1.636445781196306
Energy: 1.7725665706234606
Energy: 1.6613463377915232
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Energy: 1.7725665706234606
Energy: 1.6202196118812122
Energy: 1.6482024368989852
Energy: 1.8337814924989266
Energy: 1.645222462621385
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Energy: 1.6482024368989852
Energy: 1.8337814924989266
Energy: 1.7415481491660838
Energy: 1.6663906579481746
Energy: 1.8887254294903473
Energy: 1.663871306408187
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Energy: 1.666390657951834
Energy: 1.8887254294903473
Energy: 1.6181725416035262
Energy: 1.7561386068099967
Energy: 1.7697446413025752
Energy: 1.6540904858154153
Energy: 1.618172541596208
Energy: 1.7561386068063374
Energy: 1.7697446413025752
Energy: 1.6369158981133118
Energy: 1.6409022257900387
Energy: 1.8086888859657801
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Energy: 1.6369158981133118
Energy: 1.640902225793698
Energy: 1.808688885962121
Energy: 1.6752020705651853
Energy: 1.6773359204788516
Energy: 1.8141476797486227
Energy: 1.6457518465805936
Energy: 1.6752020705615265
Energy: 1.6773359204825105
Energy: 1.8141476797486227
Energy: 1.6879021543959816
Energy: 1.6651226996883846
Energy: 1.8153785610824316
Energy: 1.645783419912299
Energy: 1.6879021543996406
Energy: 1.6651226996774071
Energy: 1.8153785610860904
Energy: 1.6238079719942047
Energy: 1.6430583281168922
Energy: 1.7926333153109544
Energy: 1.6731798183861375
Energy: 1.6238079719978638
Energy: 1.6430583281205515
Energy: 1.7926333153109544
Energy: 1.6605635200995998
Energy: 1.6869198229254954
Energy: 1.814138353951063
Energy: 1.6659700682397562
Energy: 1.6605635201032591
Energy: 1.6869198229291542
Energy: 1.8141383539766764
Energy: 1.6521437182799938
Energy: 1.645325047764424
Energy: 1.9281554677228223
Energy: 1.6922016088974692
Energy: 1.6521437182799938
Energy: 1.645325047764424
Energy: 1.9281554677191632
Energy: 1.6330135850147351
Energy: 1.6473740254131524
Energy: 1.7329156520016202
Energy: 1.6377152407775217
Energy: 1.6330135850183942
Energy: 1.6473740254131524
Energy: 1.7329156520016202
Energy: 1.685892172795611
Energy: 1.720116031914957
Energy: 1.7062136824560157
Energy: 1.6343807640433607
Energy: 1.685892172795611
Energy: 1.720116031914957
Energy: 1.7062136824560157
Energy: 1.6739444235909309
Energy: 1.7092931218001637
Energy: 1.7703899519199753
Energy: 1.63502806930284
Energy: 1.6739444235909309
Energy: 1.7092931218001637
Energy: 1.7703899519199753
Energy: 1.619427401888853
Energy: 1.636445781196306
Energy: 1.7725665706234606
Energy: 1.6613463377915232
Energy: 1.619427401888853
Energy: 1.636445781196306
Energy: 1.7725665706234606
Energy: 1.6373822707642378
Energy: 1.6482024368989852
Energy: 1.8337814924989266
Energy: 1.645222462621385
Energy: 1.637382270767897
Energy: 1.6482024368989852
Energy: 1.8337814924989266
Energy: 1.6343647090220499
Energy: 1.6663906579481746
Energy: 1.8887254294903473
Energy: 1.663871306408187
Energy: 1.6343647090220499
Energy: 1.6663906579481746
Energy: 1.8887254294903473
Energy: 1.6181725415998673
Energy: 1.7561386068099967
Energy: 1.7697446413025752
Energy: 1.649434504897459
Energy: 1.6181725415998673
Energy: 1.7561386068063374
Energy: 1.7697446413025752

minimum gb energy = 1.618172541596208 eV
minimum distance =  2.23447175885435 Angstroms
sigma value = 311


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

Energy: 1.7796115215172932
Energy: 1.6560921135899374
Energy: 1.8350996809355258
Energy: 1.6584836725653773
Energy: 1.7796115215172932
Energy: 1.6560921135890923
Energy: 1.8927152034727874
Energy: 1.7425245207660947
Energy: 1.6474032813859245
Energy: 1.7410645912508573
Energy: 1.6923847832544188
Energy: 1.742524520767362
Energy: 1.6474032813850799
Energy: 1.7410645912521248
Energy: 1.6772712552675035
Energy: 1.7031393321592518
Energy: 1.8844336777835413
Energy: 1.6957948004796202
Energy: 1.677271255267081
Energy: 1.7031393321592518
Energy: 1.884433677781429
Energy: 1.681137902334123
Energy: 1.6359217879311185
Energy: 1.8305529432809122
Energy: 1.6339928396760042
Energy: 1.6811379023337005
Energy: 1.635921787933231
Energy: 1.8305529432804897
Energy: 1.6844875309107903
Energy: 1.6800788014370414
Energy: 1.875523630629206
Energy: 1.6984932977352842
Energy: 1.6844875309091003
Energy: 1.6800788014378867
Energy: 1.9183813752395484
Energy: 1.7148360260327773
Energy: 1.635952603787522
Energy: 1.6866412225734422
Energy: 1.7001068144888989
Energy: 1.7148360260336222
Energy: 1.6359526037858318
Energy: 1.6866412225717522
Energy: 1.7062171481015431
Energy: 1.768909601836249
Energy: 1.8726375000698559
Energy: 1.7006195634053036
Energy: 1.706217148102388
Energy: 1.768909601835404
Energy: 1.8256504811989422
Energy: 1.7034014104013488
Energy: 1.6622738021224683
Energy: 1.791839381704677
Energy: 1.6581234750569696
Energy: 1.7034014104005035
Energy: 1.6622738021224683
Energy: 1.791839381704677
Energy: 1.6873766587226342
Energy: 1.6375075873280618
Energy: 1.814336011354744
Energy: 1.6527630516608978
Energy: 1.6873766587226342
Energy: 1.6375075873263718
Energy: 1.814336011354744
Energy: 1.690241162641214
Energy: 1.7150889824573554
Energy: 1.8359152336976825
Energy: 1.7766519849340467
Energy: 1.690241162641214
Energy: 1.7150889824560882
Energy: 1.8359152336976825
Energy: 1.755425844035645
Energy: 1.7127647341881953
Energy: 1.8340781112426907
Energy: 1.6285546063722638
Energy: 1.7554258440343777
Energy: 1.712764734187773
Energy: 1.8340781112410005
Energy: 1.6961136044452532
Energy: 1.7247559317741694
Energy: 1.8533682445515993
Energy: 1.7020144988255086
Energy: 1.6961136044414504
Energy: 1.7247559317737469
Energy: 1.8533682445528668
Energy: 1.6917264195295774
Energy: 1.6357571580471921
Energy: 1.7833976745912534
Energy: 1.6500180803383844
Energy: 1.6917264195287327
Energy: 1.6357571580471921
Energy: 1.7833976745916758
Energy: 1.6717601535233069
Energy: 1.6973684454171443
Energy: 1.7005752158468834
Energy: 1.7026285634785483
Energy: 1.6717601535237292
Energy: 1.6973684454162992
Energy: 1.7005752158443483
Energy: 1.7063828214654033
Energy: 1.6375142338825464
Energy: 1.7509429453485263
Energy: 1.6514085473440903
Energy: 1.7063828214645582
Energy: 1.6375142338817008
Energy: 1.7509429453493712
Energy: 1.7511410594862227
Energy: 1.702052467406216
Energy: 1.7633495840369484
Energy: 1.7230048502288218
Energy: 1.7511410594887578
Energy: 1.702052467404526
Energy: 1.7633495840344129
Energy: 1.7557377171952981
Energy: 1.63528981172492
Energy: 1.8722898010622908
Energy: 1.6921130855300053
Energy: 1.7557377171940303
Energy: 1.6352898117236523
Energy: 1.8722898010601783
Energy: 1.6898791591858147
Energy: 1.7531298343396904
Energy: 1.703908537548033
Energy: 1.7213199637949144
Energy: 1.6898791591853923
Energy: 1.753129834341803
Energy: 1.7039085375471879
Energy: 1.6730401355329554
Energy: 1.6621032217909566
Energy: 1.8296183160003618
Energy: 1.654117833605542
Energy: 1.6730401355325326
Energy: 1.662103221791379
Energy: 1.8296183159999395
Energy: 1.702963351886463
Energy: 1.6652057512068907
Energy: 1.7565925820611539
Energy: 1.6542056445195512
Energy: 1.7029633518868859
Energy: 1.665205751206046
Energy: 1.7565925820603085
Energy: 1.6983427992560047
Energy: 1.696573879728145
Energy: 1.725164580576276
Energy: 1.7787382500702156
Energy: 1.6983427992568498
Energy: 1.69657387972899
Energy: 1.7364943362751828
Energy: 1.697862365240171
Energy: 1.7250410167719386
Energy: 1.6854775535045379
Energy: 1.6326310328612432
Energy: 1.6978623652405935
Energy: 1.7250410167732064
Energy: 1.6854775535032707
Energy: 1.6843428307206432
Energy: 1.690391845037028
Energy: 1.7453781722196087
Energy: 1.6799788656476093
Energy: 1.6843428307202204
Energy: 1.690391845037028
Energy: 1.7633089966772062
Energy: 1.6782000219722253
Energy: 1.6341210116760394
Energy: 1.80617821434309
Energy: 1.6407571736931876
Energy: 1.6782000219701125
Energy: 1.6341210116760394
Energy: 1.80617821434309
Energy: 1.7010646666140403
Energy: 1.6970893725074458
Energy: 1.78930594654321
Energy: 1.6860655913460953
Energy: 1.7010646666153075
Energy: 1.6970893725074458
Energy: 1.8118796183002297
Energy: 1.7656931767330213
Energy: 1.7105607980305748
Energy: 1.706200334928646
Energy: 1.6501233656527534
Energy: 1.765693176732599
Energy: 1.7105607980314197
Energy: 1.706200334928224
Energy: 1.7850005589882059
Energy: 1.6586978413422937
Energy: 1.7907195962003744
Energy: 1.658935761091982
Energy: 1.7850005589877835
Energy: 1.6586978413422937
Energy: 1.7946430785162863
Energy: 1.7202937816339552
Energy: 1.6466336715410907
Energy: 1.7116310391229774
Energy: 1.6926352735212953
Energy: 1.7202937816331099
Energy: 1.6466336715423584
Energy: 1.71163103912171
Energy: 1.6657754876254525
Energy: 1.7052726043155315
Energy: 1.8494775031597457
Energy: 1.6997547004412474
Energy: 1.6657754876267201
Energy: 1.705272604315109
Energy: 1.8539412156494584
Energy: 1.678088562448418
Energy: 1.6387128113759104
Energy: 1.8715194157269728
Energy: 1.6398570556393806
Energy: 1.6780885624488406
Energy: 1.6387128113759104
Energy: 1.8715194157269728
Energy: 1.6841332439100463
Energy: 1.6802386314489455
Energy: 1.728542902711466
Energy: 1.6909319390597255
Energy: 1.6841332439100463
Energy: 1.6802386314493678
Energy: 1.8454671978178185
Energy: 1.7097201227926244
Energy: 1.6324063397759017
Energy: 1.739471778250924
Energy: 1.6999572034594053
Energy: 1.709720122793892
Energy: 1.6324063397780142
Energy: 1.739471778250924
Energy: 1.6899106294170978
Energy: 1.7856117153391282
Energy: 1.8136674043614325
Energy: 1.6994119599109003
Energy: 1.6899106294149855
Energy: 1.7856117153370157
Energy: 1.7773036647186735
Energy: 1.7025912140231654
Energy: 1.6739456994936524
Energy: 1.767182777749338
Energy: 1.7056422783707854
Energy: 1.7025912140231654
Energy: 1.6739456994932298
Energy: 1.7671827777476479
Energy: 1.6704118419423712
Energy: 1.6373711325025213
Energy: 1.8143630989483124
Energy: 1.6740333149383442
Energy: 1.6704118419411038
Energy: 1.6373711325025213
Energy: 1.8143630989466224
Energy: 1.6898041883212596
Energy: 1.7153191222875404
Energy: 1.8354131219804866
Energy: 1.7253492684679754
Energy: 1.6898041883199921
Energy: 1.7153191222888082
Energy: 1.835413121978374

minimum gb energy = 1.6285546063722638 eV
minimum distance =  2.23635889626245 Angstroms
sigma value = 39


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

Energy: 1.6511457187001017
Energy: 1.6793913385731627
Energy: 1.8348224249014504
Energy: 1.6795353573195972
Energy: 1.651145718699603
Energy: 1.6793913385751575
Energy: 1.7807148756156037
Energy: 1.6307579197872089
Energy: 1.6554953481891514
Energy: 1.7350307439140795
Energy: 1.6553409376474575
Energy: 1.6307579197862117
Energy: 1.6554953481911459
Energy: 1.7350307439135808
Energy: 1.6513004476542714
Energy: 1.5770451255390137
Energy: 1.6805390655067634
Energy: 1.6049480644025083
Energy: 1.651300447649285
Energy: 1.577045125541507
Energy: 1.6805390655072618
Energy: 1.631999349749901
Energy: 1.6554555662905235
Energy: 1.7353995431745475
Energy: 1.7278016238751048
Energy: 1.63199934975389
Energy: 1.6554555662925179
Energy: 1.7353995431765419
Energy: 1.7005312404595396
Energy: 1.60110510931481
Energy: 1.659700979122871
Energy: 1.6049013125442193
Energy: 1.7005312404580435
Energy: 1.6011051093207935
Energy: 1.6010124101655765
Energy: 1.6474589898519054
Energy: 1.6546911779423998
Energy: 1.6619570028745083
Energy: 1.7233818540210455
Energy: 1.6474589898484149
Energy: 1.6546911779443942
Energy: 1.6619570028735111
Energy: 1.8424511789537008
Energy: 1.6022669545479753
Energy: 1.6105741542406125
Energy: 1.6023890116454553
Energy: 1.8424511789541995
Energy: 1.6022669545534602
Energy: 1.6299540676820785
Energy: 1.631651963374242
Energy: 1.6485653651128562
Energy: 1.7277080826917564
Energy: 1.648488861951645
Energy: 1.6316519633772337
Energy: 1.6485653651113603
Energy: 1.7277080826887645
Energy: 1.8424812420022252
Energy: 1.6021913439141424
Energy: 1.724425073897445
Energy: 1.6018374409767064
Energy: 1.8424812420047183
Energy: 1.6021913439166355
Energy: 1.7244250738989408
Energy: 1.6472546466256535
Energy: 1.723191080991506
Energy: 1.662110030932654
Energy: 1.6546752183821187
Energy: 1.6472546466226616
Energy: 1.7231910809939994
Energy: 1.6621100309361445
Energy: 1.700548521872169
Energy: 1.6049638570284717
Energy: 1.6783568394588075
Energy: 1.6009891175693651
Energy: 1.7005485218741634
Energy: 1.6049638570259783
Energy: 1.687730178827033
Energy: 1.6321580504596724
Energy: 1.728078999101032
Energy: 1.7356349624514709
Energy: 1.6551648637848
Energy: 1.6321580504581763
Energy: 1.7280789990990373
Energy: 1.7356349624524683
Energy: 1.65137426586275
Energy: 1.6047377453748854
Energy: 1.6431888102662233
Energy: 1.576986755690904
Energy: 1.6513742658637018
Energy: 1.6047377453728906
Energy: 1.6558402490682467
Energy: 1.6307703781604057
Energy: 1.655268269043411
Energy: 1.7351466059858112
Energy: 1.6554692198544392
Energy: 1.6307703781614031
Energy: 1.6552682690483977
Energy: 1.7351466059868084
Energy: 1.6511457187001017
Energy: 1.6793913385736614
Energy: 1.7310050065315623
Energy: 1.6795353573181013
Energy: 1.6511457187006005
Energy: 1.6793913385751575
Energy: 1.731005006533557
Energy: 1.6307579197877073
Energy: 1.6554953481891514
Energy: 1.7350307439140795
Energy: 1.6553409376464598
Energy: 1.630757919785713
Energy: 1.6554953481911459
Energy: 1.7350307439135808
Energy: 1.6513004476537727
Energy: 1.577045125540011
Energy: 1.661835493483821
Energy: 1.604948064403007
Energy: 1.651300447649285
Energy: 1.5770451255420057
Energy: 1.6805390655082593
Energy: 1.631999349749901
Energy: 1.6554555662915205
Energy: 1.7353995431750462
Energy: 1.7278016238751048
Energy: 1.63199934975389
Energy: 1.6554555662910222
Energy: 1.7353995431760432
Energy: 1.700531240459041
Energy: 1.6011051093153086
Energy: 1.6026871488322092
Energy: 1.604901312544718
Energy: 1.700531240459041
Energy: 1.6011051093212922
Energy: 1.60319161063762
Energy: 1.6474589898519054
Energy: 1.6546911779423998
Energy: 1.6619570028735111
Energy: 1.7233818540205468
Energy: 1.6474589898489134
Energy: 1.6546911779438955
Energy: 1.6619570028735111
Energy: 1.8424511789527036
Energy: 1.6022669545504684
Energy: 1.6299540676820785
Energy: 1.6023890116464523
Energy: 1.8424511789532023
Energy: 1.6022669545529615
Energy: 1.5935581620652146
Energy: 1.6316519633737432
Energy: 1.648565365111859
Energy: 1.7277080826917564
Energy: 1.648488861952642
Energy: 1.6316519633772337
Energy: 1.6485653651108618
Energy: 1.7277080826892632
Energy: 1.8424812420022252
Energy: 1.6021913439146411
Energy: 1.698342375933049
Energy: 1.601837440975709
Energy: 1.8424812420047183
Energy: 1.6021913439171342
Energy: 1.6983423759310545
Energy: 1.6472546466256535
Energy: 1.7231910809920046
Energy: 1.6621100309331525
Energy: 1.65467521838162
Energy: 1.6472546466226616
Energy: 1.7231910809935007
Energy: 1.6621100309366428
Energy: 1.7005485218731662
Energy: 1.604963857029469
Energy: 1.6877301788295263
Energy: 1.6009891175703626
Energy: 1.7005485218741634
Energy: 1.6049638570254798
Energy: 1.6846406696866052
Energy: 1.6321580504596724
Energy: 1.7280789991015306
Energy: 1.7356349624509722
Energy: 1.6551648637833039
Energy: 1.632158050458675
Energy: 1.728078999099536
Energy: 1.7356349624534655
Energy: 1.6513742658642006
Energy: 1.6047377453743865
Energy: 1.6568987908424802
Energy: 1.576986755690904
Energy: 1.6513742658642006
Energy: 1.6047377453728906
Energy: 1.6499866440323132
Energy: 1.6307703781599072
Energy: 1.6552682690439098
Energy: 1.7351466059853125
Energy: 1.6554692198549377
Energy: 1.6307703781614031
Energy: 1.6552682690498934
Energy: 1.7351466059858112
Energy: 1.651145718699603
Energy: 1.6793913385731627
Energy: 1.7310050065305649
Energy: 1.6795353573205947
Energy: 1.6511457187001017
Energy: 1.6793913385751575
Energy: 1.7310050065350528
Energy: 1.6307579197872089
Energy: 1.6554953481891514
Energy: 1.735030743914578
Energy: 1.6553409376469588
Energy: 1.6307579197862117
Energy: 1.6554953481906471
Energy: 1.7350307439130823

minimum gb energy = 1.576986755690904 eV
minimum distance =  2.28150382927897 Angstroms
sigma value = 21


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

Energy: 1.6842598033112046
Energy: 1.8038905880384575
Energy: 1.7746932241151594
Energy: 1.803899996133182
Energy: 1.6842598033112046
Energy: 1.8038905880402736
Energy: 1.6351795850221968
Energy: 1.6860487779309756
Energy: 1.6554363649468022
Energy: 1.7540963577448778
Energy: 1.6550235076505535
Energy: 1.6860487779327917
Energy: 1.6554363649474073
Energy: 1.7540963577454833
Energy: 1.684838248636632
Energy: 1.7301622767564837
Energy: 1.7594749336455486
Energy: 1.6686644177391081
Energy: 1.6848382486390532
Energy: 1.7301622767570888
Energy: 1.7594749336443378
Energy: 1.647662768075357
Energy: 1.664743434694637
Energy: 1.7890049013735432
Energy: 1.6341786993644767
Energy: 1.6476627680759626
Energy: 1.6647434346970582
Energy: 1.7890049013747535
Energy: 1.6185045308217119
Energy: 1.5789826425856095
Energy: 1.658384282057887
Energy: 1.6584588120450372
Energy: 1.6185045308211063
Energy: 1.5789826425850042
Energy: 1.6583842820572816
Energy: 1.6475066082011112
Energy: 1.5984327727290968
Energy: 1.7001914074011162
Energy: 1.6608597934099993
Energy: 1.6475066082017162
Energy: 1.5984327727212275
Energy: 1.7001914074017215
Energy: 1.7363108749150682
Energy: 1.579675303560269
Energy: 1.6656298957851432
Energy: 1.6575549412418435
Energy: 1.7363108749138574
Energy: 1.579675303560269
Energy: 1.6352102978210303
Energy: 1.6742670962440827
Energy: 1.7132215299215625
Energy: 1.8017615882710478
Energy: 1.6606443087408964
Energy: 1.6742670962428718
Energy: 1.7132215299227729
Energy: 1.8017615882722584
Energy: 1.7214581294705251
Energy: 1.662695236074566
Energy: 1.6790087019386026
Energy: 1.7846732940425245
Energy: 1.7214581294699203
Energy: 1.6626952360757765
Energy: 1.6790087019398132
Energy: 1.6560794444879725
Energy: 1.6624724133634667
Energy: 1.6245617636777407
Energy: 1.7406703013210927
Energy: 1.6560794444885776
Energy: 1.6624724133640723
Energy: 1.6245617636765302
Energy: 1.772456618216445
Energy: 1.789480749199372
Energy: 1.670253266126504
Energy: 1.6671508276124347
Energy: 1.7724566182176553
Energy: 1.7894807491999776
Energy: 1.6774152000720428
Energy: 1.5651083280222045
Energy: 1.691410664253853
Energy: 1.6368616355237797
Energy: 1.6342913223668987
Energy: 1.5651083280228095
Energy: 1.691410664256274
Energy: 1.6368616355237797
Energy: 1.773841388071084
Energy: 1.6473950521017107
Energy: 1.6380318628776827
Energy: 1.6692218719064107
Energy: 1.7738413880704789
Energy: 1.6473950521023162
Energy: 1.6380318628770771
Energy: 1.5651574603551168
Energy: 1.691220950766029
Energy: 1.6797728178720515
Energy: 1.6996183097357316
Energy: 1.5651574603545118
Energy: 1.6912209507648184
Energy: 1.679772817872657
Energy: 1.7525779960140238
Energy: 1.592362998477087
Energy: 1.6257302522779977
Energy: 1.6333846314756109
Energy: 1.7525779960116026
Energy: 1.5923629984776924
Energy: 1.625730252276787
Energy: 1.5569808663981546
Energy: 1.7320498227928358
Energy: 1.614276731764414
Energy: 1.6256832152466179
Energy: 1.556980866397549
Energy: 1.7320498227934409
Energy: 1.6142767317650195
Energy: 1.753277273160081
Energy: 1.592558168653356
Energy: 1.616409111629854
Energy: 1.6331187050252882
Energy: 1.753277273161897
Energy: 1.5925581686545667
Energy: 1.6164091116310644
Energy: 1.556974467206347
Energy: 1.666361377675845
Energy: 1.619277345746107
Energy: 1.7215656771577919
Energy: 1.5569744672075574
Energy: 1.66636137767524
Energy: 1.6192773457467124
Energy: 1.683819161904072
Energy: 1.6379161359735095
Energy: 1.6920238216238
Energy: 1.6334176540458638
Energy: 1.683819161905283
Energy: 1.6379161359735095
Energy: 1.6920238216219838
Energy: 1.5566584425583128
Energy: 1.7154068165278762
Energy: 1.599931467323179
Energy: 1.7154397943132236
Energy: 1.556658442558918
Energy: 1.7154068165272711
Energy: 1.5999314673237843
Energy: 1.6838017145044548
Energy: 1.6334429563685007
Energy: 1.6945502544678215
Energy: 1.591454223337862
Energy: 1.6838017145032445
Energy: 1.6334429563672903
Energy: 1.6945502544678215
Energy: 1.5569393816273023
Energy: 1.7215878516760752
Energy: 1.6193652231809894
Energy: 1.6661612060788495
Energy: 1.5569393816260915
Energy: 1.7215878516760752
Energy: 1.6193652231803841
Energy: 1.7534006098496857
Energy: 1.6333216800659438
Energy: 1.6164227121913208
Energy: 1.5925025837863285
Energy: 1.753400609850291
Energy: 1.6333216800665489
Energy: 1.6164227121907155
Energy: 1.5570513587669592
Energy: 1.6255627670301147
Energy: 1.614300730289428
Energy: 1.7318790937393047
Energy: 1.5570513587681696
Energy: 1.6255627670301147
Energy: 1.6143007302900334
Energy: 1.752543048226436
Energy: 1.6333415006414604
Energy: 1.6515740759008406
Energy: 1.592364922343901
Energy: 1.7525430482246198
Energy: 1.6333415006402499
Energy: 1.6515740758990247

minimum gb energy = 1.5566584425583128 eV
minimum distance =  2.25646953446811 Angstroms
sigma value = 113


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

Energy: 1.660906122423668
Energy: 1.788780769278307
Energy: 1.637684687379573
Energy: 1.7797302098200722
Energy: 1.6609061224169113
Energy: 1.7887807692816855
Energy: 1.6309721616031907
Energy: 1.7845362393080415
Energy: 1.713724907076092
Energy: 1.8071775096903846
Energy: 1.7475770446259855
Energy: 1.78453623931142
Energy: 1.7137249070794704
Energy: 1.8071775096903846
Energy: 1.715062187994636
Energy: 1.752623506586362
Energy: 1.78064692174115
Energy: 1.7206790293214238
Energy: 1.7150621879912575
Energy: 1.7526235065897406
Energy: 1.7806469217445287
Energy: 1.6609694272230342
Energy: 1.7738212250284433
Energy: 1.8377658355530377
Energy: 1.7066951917420468
Energy: 1.6609694272230342
Energy: 1.773821225025065
Energy: 1.8377658355530377
Energy: 1.7101102351615836
Energy: 1.6329038960732374
Energy: 1.631632632951051
Energy: 1.6907137958017102
Energy: 1.7101102351649617
Energy: 1.6329038960664806
Energy: 1.631632632951051
Energy: 1.6308274183700042
Energy: 1.7746831933422933
Energy: 1.7821171918575782
Energy: 1.6346395371897544
Energy: 1.630827418363309
Energy: 1.7746831933389149
Energy: 1.7821171918609566
Energy: 1.6429742218478722
Energy: 1.6358577040446978
Energy: 1.715645260224298
Energy: 1.6439057727277344
Energy: 1.6429742218512506
Energy: 1.6358577040446978
Energy: 1.7156452602209196
Energy: 1.6280650196043895
Energy: 1.7327405229067232
Energy: 1.777916597986575
Energy: 1.651504457400992
Energy: 1.6280650196043895
Energy: 1.7327405229067232
Energy: 1.777916597986575
Energy: 1.6214902836987195
Energy: 1.6626195959900676
Energy: 1.7744358964696239
Energy: 1.6578998112233223
Energy: 1.621490283695341
Energy: 1.6626195959900676
Energy: 1.7744358965573996
Energy: 1.646360095379396
Energy: 1.714548041489374
Energy: 1.7616172189970352
Energy: 1.6519632044319768
Energy: 1.6463600953861528
Energy: 1.714548041489374
Energy: 1.7616172189936568
Energy: 1.654267541774582
Energy: 1.7036799895008812
Energy: 1.833457868683136
Energy: 1.689335552630356
Energy: 1.6542675417712651
Energy: 1.7036799895042596
Energy: 1.8334578686898928
Energy: 1.6767673186703949
Energy: 1.7156946165814084
Energy: 1.9012754517192338
Energy: 1.6775387617265947
Energy: 1.676767318673773
Energy: 1.7156946165814084
Energy: 1.9012754517158554
Energy: 1.7546243112235507
Energy: 1.7227006938147105
Energy: 1.8510126365956059
Energy: 1.6729209561619367
Energy: 1.7546243112235507
Energy: 1.7227006938180887
Energy: 1.8510126365922275
Energy: 1.7017742777171614
Energy: 1.7948086172537168
Energy: 1.8666678997009465
Energy: 1.7750915140919945
Energy: 1.701774277723918
Energy: 1.7948086172537168
Energy: 1.8666678997043247
Energy: 1.7547152386642138
Energy: 1.7290816022211646
Energy: 1.8885086687046773
Energy: 1.7573530568139581
Energy: 1.7547152386608353
Energy: 1.7290816022177862
Energy: 1.8885086687080557
Energy: 1.7297341698975477
Energy: 1.7162073166681688
Energy: 1.7871778757863548
Energy: 1.7177401672683021
Energy: 1.7297341698975477
Energy: 1.7162073166647904
Energy: 1.787177875789733
Energy: 1.7756402591346376
Energy: 1.7327594373041915
Energy: 1.8874042164569846
Energy: 1.7065918355856022
Energy: 1.7756402591312594
Energy: 1.7327594373041915
Energy: 1.887404216460363
Energy: 1.6852745358719796
Energy: 1.6880605018210717
Energy: 1.7450538941820306
Energy: 1.6639050943381677
Energy: 1.6852745358686012
Energy: 1.6880605018176933
Energy: 1.7450538941820306
Energy: 1.783556063001974
Energy: 1.7082563984560084
Energy: 1.8171179488842766
Energy: 1.7264840178449035
Energy: 1.783556063001974
Energy: 1.7082563984560084
Energy: 1.8524090732875615
Energy: 1.591049758612049
Energy: 1.7095930712834237
Energy: 1.7804619548944138
Energy: 1.6329055336654474
Energy: 1.5910497586086705
Energy: 1.7095930712868022
Energy: 1.7804619548977925
Energy: 1.632643972978387
Energy: 1.6219452304110082
Energy: 1.7866319683229723
Energy: 1.7390499009347455
Energy: 1.6326439729750086
Energy: 1.6219452304110082
Energy: 1.786631968329729
Energy: 1.5945969457567584
Energy: 1.6650991523411494
Energy: 1.6985594578883714
Energy: 1.6321541098363315
Energy: 1.5945969457601368
Energy: 1.6650991523377707
Energy: 1.6985594578917496
Energy: 1.6704139601228754
Energy: 1.6495682694624396
Energy: 1.7781354553619073
Energy: 1.7787805960149154
Energy: 1.670413960119497
Energy: 1.649568269465818
Energy: 1.7781354553686026
Energy: 1.6640627608630476
Energy: 1.6625625803745194
Energy: 1.7299481619815091
Energy: 1.6682865554895832
Energy: 1.6640627608630476
Energy: 1.6625625803677628
Energy: 1.7299481619747525
Energy: 1.652637043465458
Energy: 1.7088800445521055
Energy: 1.736765516348116
Energy: 1.8476628659498004
Energy: 1.6526370434620796
Energy: 1.708880044555484
Energy: 1.736765516348116
Energy: 1.647518534669703
Energy: 1.7855438066606946
Energy: 1.7659537048802452
Energy: 1.7069772660306919
Energy: 1.6475185346663246
Energy: 1.7855438066573162
Energy: 1.7659537048802452
Energy: 1.7104876375149032
Energy: 1.6931300513482967
Energy: 1.6631574209494466
Energy: 1.881801229091487
Energy: 1.710487637511525
Energy: 1.6931300513482967
Energy: 1.663157420952825
Energy: 1.689146829952603
Energy: 1.8460341025515459
Energy: 1.7625933700319665
Energy: 1.812544659972937
Energy: 1.6891468299559813
Energy: 1.8460341025481675
Energy: 1.7625933700319665
Energy: 1.77580286567482
Energy: 1.6887247394704454
Energy: 1.7900836051385676
Energy: 1.8449428973423712
Energy: 1.7758028656815765
Energy: 1.6887247394704454
Energy: 1.7900836051385676
Energy: 1.6563669541430182
Energy: 1.758623258396735
Energy: 1.7556627868093961
Energy: 1.7904890162718496
Energy: 1.6563669541463966
Energy: 1.7586232583933568
Energy: 1.7556627868127743
Energy: 1.6827801218948746
Energy: 1.7012301659388718
Energy: 1.8069360737153433
Energy: 1.7902216150461563
Energy: 1.682780121898253
Energy: 1.7012301659388718
Energy: 1.8069360737187217
Energy: 1.659055617288012
Energy: 1.628311105470253
Energy: 1.7095546865312925
Energy: 1.7173616185647411
Energy: 1.659055617288012
Energy: 1.6283111054736314
Energy: 1.709554686527914
Energy: 1.6202754529353434
Energy: 1.6828677772015848
Energy: 1.8290303752580388
Energy: 1.7197011398085744
Energy: 1.6202754529353434
Energy: 1.6828677772049632
Energy: 1.8290303752546604
Energy: 1.634909565040379
Energy: 1.6376412790799828
Energy: 1.677555889044248
Energy: 1.6359105794714468
Energy: 1.6349095650370007
Energy: 1.6376412790833612
Energy: 1.6775558890476263
Energy: 1.6210150751055075
Energy: 1.6115613966392315
Energy: 1.7778259699679864
Energy: 1.7175466417509069
Energy: 1.6210150751088857
Energy: 1.6115613966290965
Energy: 1.7778259699679864
Energy: 1.6159626157325861
Energy: 1.6287495395578702
Energy: 1.6591007552259693
Energy: 1.6212139102921692
Energy: 1.6159626157325861
Energy: 1.6287495395578702
Energy: 1.6591007552327262
Energy: 1.6208711608119903
Energy: 1.6490592015180936
Energy: 1.7929214492544792
Energy: 1.7194254394897026
Energy: 1.6208711608119903
Energy: 1.6490592015180936
Energy: 1.7929214492578573
Energy: 1.621405505402661
Energy: 1.6225629597552402
Energy: 1.763173420718309
Energy: 1.6595779318138775
Energy: 1.621405505392526
Energy: 1.6225629597552402
Energy: 1.7631734207250656
Energy: 1.652278229517283
Energy: 1.6808484128625925
Energy: 1.9041045722018777
Energy: 1.7309360211524043
Energy: 1.652278229517283
Energy: 1.680848412869349
Energy: 1.9041045722018777
Energy: 1.6664442258261312
Energy: 1.7066972369731863
Energy: 1.7759739361368836
Energy: 1.6985947805118087
Energy: 1.6664442258227528
Energy: 1.706697236969808
Energy: 1.7759739361335054
Energy: 1.740438973547926
Energy: 1.6805541210881694
Energy: 1.8671492837332775
Energy: 1.7709242508133083
Energy: 1.7404389735445476
Energy: 1.680554121094926
Energy: 1.867149283736656
Energy: 1.6657776012362784
Energy: 1.68193124257838
Energy: 1.8520382316833468
Energy: 1.7197745430253117
Energy: 1.6657776012328998
Energy: 1.68193124257838
Energy: 1.8520382316833468
Energy: 1.7205787537560002
Energy: 1.67969588502585
Energy: 1.8383107768617784
Energy: 1.7780383918753104
Energy: 1.7205787537526218
Energy: 1.679695885022472
Energy: 1.8383107768651565
Energy: 1.7148913910733352
Energy: 1.6781849293975342
Energy: 1.8782702942600062
Energy: 1.6008807092360282
Energy: 1.7148913910733352
Energy: 1.678184929394156
Energy: 1.878270294256628
Energy: 1.6098831101471929
Energy: 1.681830859784423
Energy: 1.7866920339306376
Energy: 1.7278292131700996
Energy: 1.6098831101438145
Energy: 1.6818308597878013
Energy: 1.786692033927259

minimum gb energy = 1.5910497586086705 eV
minimum distance =  2.19911605687455 Angstroms
sigma value = 365


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

Energy: 1.7268365512179527
Energy: 1.340040664197216
Energy: 1.4679097699909371
Energy: 1.3400406641987395
Energy: 1.7268365512179527
Energy: 1.3400406641987395
Energy: 1.3796270871356475
Energy: 1.7268365512156676
Energy: 1.3400406641979778
Energy: 1.5726807647355392
Energy: 1.3400406641979778
Energy: 1.726836551217191
Energy: 1.3400406641964544
Energy: 1.3174767073611238
Energy: 1.726836551217191
Energy: 1.3400406641979778
Energy: 1.4333934021851673
Energy: 1.3400406641979778
Energy: 1.7268365512179527
Energy: 1.340040664199501
Energy: 1.4095995373114016
Energy: 1.7268365512164294
Energy: 1.3400406641987395
Energy: 1.8060044405349036
Energy: 1.3400406641987395
Energy: 1.7268365512179527
Energy: 1.3400406641987395
Energy: 1.6494692989599928
Energy: 1.726836551217191
Energy: 1.340040664199501
Energy: 1.44682901771164
Energy: 1.3400406641979778
Energy: 1.7268365512179527
Energy: 1.3400406641964544
Energy: 1.4992651379090822
Energy: 1.726836551217191
Energy: 1.3400406641987395
Energy: 1.3794836247404838
Energy: 1.3400406641987395
Energy: 1.7268365512156676
Energy: 1.340040664199501
Energy: 1.3126352040299782
Energy: 1.726836551217191
Energy: 1.340040664197216
Energy: 1.7516043742380754
Energy: 1.3400406641987395
Energy: 1.7268365512179527
Energy: 1.3400406641987395
Energy: 1.6494692985785584
Energy: 1.7268365512156676
Energy: 1.340040664199501
Energy: 1.3127401734788344
Energy: 1.340040664197216
Energy: 1.726836551217191
Energy: 1.3400406641979778
Energy: 1.379713511893552
Energy: 1.726836551217191
Energy: 1.3400406641979778
Energy: 1.59936063194743
Energy: 1.3400406641979778
Energy: 1.7268365512179527
Energy: 1.340040664197216
Energy: 1.3127409149549727
Energy: 1.726836551217191
Energy: 1.3400406641979778
Energy: 1.3174651804433706
Energy: 1.3400406641987395
Energy: 1.7268365512179527
Energy: 1.3400406641987395
Energy: 1.3796263637728845
Energy: 1.7268365512179527
Energy: 1.3400406641987395
Energy: 1.3174639968553263
Energy: 1.3400406641979778
Energy: 1.7268365512179527
Energy: 1.3400406641964544
Energy: 1.317476613386474
Energy: 1.7268365512179527
Energy: 1.340040664197216
Energy: 1.379724853290763
Energy: 1.340040664197216
Energy: 1.7268365512156676
Energy: 1.3400406641987395
Energy: 1.3797229888935254
Energy: 1.726836551217191
Energy: 1.3400406641964544
Energy: 1.3174786429723129
Energy: 1.3400406641987395
Energy: 1.7268365512179527
Energy: 1.3400406641987395
Energy: 1.3174808201997994
Energy: 1.7268365512156676
Energy: 1.3400406641987395
Energy: 1.3174705938079105
Energy: 1.3400406641979778
Energy: 1.726836551217191
Energy: 1.340040664197216
Energy: 1.3174815733634389
Energy: 1.7268365512179527
Energy: 1.3400406641979778
Energy: 1.317482530631548
Energy: 1.3400406641987395
Energy: 1.7268365512179527
Energy: 1.3400406641979778
Energy: 1.317484431904151
Energy: 1.7268365512164294
Energy: 1.340040664197216
Energy: 1.3174576131343212
Energy: 1.3400406642010247
Energy: 1.726836551217191
Energy: 1.3400406641987395
Energy: 1.3174717336127726
Energy: 1.7268365512179527
Energy: 1.3400406641987395
Energy: 1.317469432420929
Energy: 1.3400406641979778
Energy: 1.7268365512179527
Energy: 1.3400406641964544
Energy: 1.3174761573623723
Energy: 1.7268365512179527
Energy: 1.3400406641987395
Energy: 1.3174833211829982
Energy: 1.3400406641987395
Energy: 1.7268365512156676
Energy: 1.3400406641979778
Energy: 1.3174842932586364
Energy: 1.726836551217191
Energy: 1.3400406641979778
Energy: 1.3174821198508606
Energy: 1.340040664199501
Energy: 1.7268365512179527
Energy: 1.3400406641987395
Energy: 1.3174813826223313
Energy: 1.7268365512156676
Energy: 1.3400406641979778
Energy: 1.3174840556972738
Energy: 1.340040664197216
Energy: 1.7268365512179527
Energy: 1.3400406641979778
Energy: 1.3174805824481177

minimum gb energy = 1.3126352040299782 eV
minimum distance =  2.37486217755125 Angstroms
sigma value = 23