Model name: model_name=Tersoff_LAMMPS_ByggmastarNagelAlbe_2019_FeO__MO_608695023236_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=3.647307395935058
cohesive_energy=4.1514736222019355
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=[0.0, 0.0, 0.0, 2.7774533038707e-21, 1.0382729437207259e-19, 2.5036413171201e-19, 3.75348328753716e-19, 4.6550441012553e-19, 5.233237604933219e-19, 5.542970391818099e-19, 5.7220937394993e-19, 5.88013244267706e-19, 6.019201374508259e-19, 6.14103088575762e-19, 6.24709497892842e-19, 6.3386113082624995e-19, 6.41666935387098e-19, 6.48215031290256e-19, 6.535903338973259e-19, 6.578617368035699e-19, 6.610933270743479e-19, 6.633427830684839e-19, 6.646581700849979e-19, 6.6508755342291e-19, 6.646245243756839e-19, 6.631280913995279e-19, 6.60407595474996e-19, 6.562419362265959e-19, 6.503587436265479e-19, 6.424359801714179e-19, 6.3208271476251e-19, 6.188231009395259e-19, 6.02077150760958e-19, 5.81002119317322e-19, 5.52515418764802e-19, 5.1395583371432395e-19, 4.64419736544312e-19, 4.0325824571799595e-19, 3.29577346673604e-19, 2.416082364072e-19, 1.3621064871614399e-19, 8.601493542591419e-21, -1.477492043988852e-19, -3.4521298844481e-19, -5.99861340476136e-19, -9.32925023505324e-19, -1.436897694613194e-18, -2.21840581096908e-18, -3.24051439462938e-18, -4.576777772684399e-18, -6.56919656942778e-18, -9.898103048954939e-18, -1.577701783739016e-17, -2.7572819000486398e-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: 0.019264881269731287
Energy: 0.019995816259013928
Energy: 1.3232977858484734
Energy: 1.3260862835083385
Energy: 1.4697685606842297
Energy: 0.45770708399307086
Energy: 0.020015486179018285
Energy: 0.019995489458793023
Energy: 1.1584437207563545
Energy: 0.38663989227536005
Energy: 1.0838144309034692
Energy: 0.9215766591387651
Energy: 0.020586316334366486
Energy: 0.11100276054757416
Energy: 0.01976243043961351
Energy: 0.8084618753253813
Energy: 0.8334424189589278
Energy: 1.1416977759244227
Energy: 0.8200213631914315
Energy: 0.10891158773742825
Energy: 0.11076494148120689
Energy: 0.022524211598767226
Energy: 1.1992755745346975
Energy: 0.8314773959550589
Energy: 1.325522714136701
Energy: 1.471227591528288
Energy: 0.10897470044535253
Energy: 0.020392621746817968
Energy: 0.4578183801664743
Energy: 1.489683186065555
Energy: 0.386211441384693
Energy: 1.0823680932821085
Energy: 0.9226885143871115
Energy: 0.020347396239974256
Energy: 0.11141061385256146
Energy: 0.019605771538636782
Energy: 0.8072109379416317
Energy: 0.8330604188434715
Energy: 0.9207782975746037
Energy: 1.16849594540797
Energy: 0.10835802121981751
Energy: 0.11069342345167756

minimum gb energy = 0.019264881269731287 eV
minimum distance =  2.55464630967416 Angstroms
sigma value = 5


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

Energy: 1.5592028102120028
Energy: 1.7424558318731238
Energy: 1.7281352955592468
Energy: 1.9770510021286183
Energy: 1.8531655475800337
Energy: 1.7216861470309974
Energy: 1.7834348957172343
Energy: 1.6754685147664985
Energy: 1.652931570504288
Energy: 1.7461587467842148
Energy: 1.7917983212588513
Energy: 1.746528202677327
Energy: 1.6765552000551989
Energy: 1.6436444077650538
Energy: 1.7464650981500607
Energy: 1.6350302333400455
Energy: 1.7040584435771404
Energy: 1.682849186004928
Energy: 1.6995346491213634
Energy: 1.6770839968033655
Energy: 1.7277200090458398
Energy: 1.7993287472196255
Energy: 1.8019428121021244
Energy: 1.625087964999116
Energy: 1.642781143764689
Energy: 1.6636638778620807
Energy: 1.691454214471009
Energy: 1.798390089062851
Energy: 1.7055020039752185
Energy: 1.7547073294264266
Energy: 1.5761266137828274
Energy: 1.589663105901009
Energy: 1.6192318972541306
Energy: 1.7322253303602635
Energy: 1.786658270561608
Energy: 1.7865519007447033
Energy: 1.6683336980623902
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Energy: 1.5838078413117114
Energy: 1.5144303180518064
Energy: 1.812308280650925
Energy: 1.7884802026856694
Energy: 1.798422508037939
Energy: 1.6918634801054084
Energy: 1.5924716514109913
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Energy: 1.680990624422589
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Energy: 1.712233808790538
Energy: 1.661973377171626
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Energy: 1.6254440772631495
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Energy: 1.727779055567202
Energy: 1.7839288905926163
Energy: 1.599238213046622
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Energy: 1.6703438145371008
Energy: 1.7311326902925464
Energy: 1.7043352573783923
Energy: 1.643993789011324
Energy: 1.709776429487127
Energy: 1.6747378021914934
Energy: 1.8079740141577105
Energy: 1.7950028573011545
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Energy: 1.6506230346493218
Energy: 1.6308717605430507
Energy: 1.695634353171762
Energy: 1.79681897562901
Energy: 1.8650207023656067
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Energy: 1.5699347748257486
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Energy: 1.8224454363073999
Energy: 1.6842285177039202
Energy: 1.600825963244589
Energy: 1.59699642683692
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Energy: 1.7370045710545274
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Energy: 1.6546693731469309
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Energy: 1.7008218719136368
Energy: 1.7841999496309506
Energy: 1.6681307515725776
Energy: 1.6786884623099894
Energy: 1.686058017189021
Energy: 1.6573250082557829
Energy: 1.7379822246400574
Energy: 1.6015187502311807
Energy: 1.671431040132387
Energy: 1.6458877347044973
Energy: 1.623330678603707
Energy: 1.6188891666885352
Energy: 1.7224937947423165
Energy: 1.7507143178753959
Energy: 1.7796434980180358
Energy: 1.7621577455254478
Energy: 1.5705199356765727
Energy: 1.5853412231753732
Energy: 1.6586035977400833
Energy: 1.6665542009390475
Energy: 1.8372745968187623
Energy: 1.7085002626482035
Energy: 1.7066993565865762
Energy: 1.6747172994660868
Energy: 1.5911926202932838
Energy: 1.645725001929329
Energy: 1.7257918790387135
Energy: 1.7287329126487576
Energy: 1.7105923644401497
Energy: 1.7378616716459265
Energy: 1.6044926237201658
Energy: 1.6153902229490835
Energy: 1.5714062535358935
Energy: 1.6833755968639226
Energy: 1.7910257784345478
Energy: 1.5055064943589163
Energy: 1.6723028234322201
Energy: 1.7122219939316365
Energy: 1.618650014581961
Energy: 1.6284630608129527
Energy: 1.735019434175264
Energy: 1.736751619257045
Energy: 1.6688078622451572
Energy: 1.6391994316727667
Energy: 1.7524380018073369
Energy: 1.7958463768778077
Energy: 1.7675062417564495
Energy: 1.6458929159212843
Energy: 1.605058110593966
Energy: 1.5739407788519062
Energy: 1.6579993195035037
Energy: 1.7950297523871415
Energy: 1.8923503775627917
Energy: 1.6958411658680475
Energy: 1.688007625619965
Energy: 1.6297437318201944
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Energy: 1.6452236018143087
Energy: 1.7496284986523627
Energy: 1.8409276801360155
Energy: 1.7937743772826205
Energy: 1.6737255122725743
Energy: 1.6918932145565153

minimum gb energy = 1.430761803710829 eV
minimum distance =  2.26369511706345 Angstroms
sigma value = 401


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

Energy: 1.5628304746248898
Energy: 1.757200515134233
Energy: 1.7249670996019884
Energy: 1.9837605311470934
Energy: 1.9328287577811922
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Energy: 1.8390890068867136
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Energy: 1.8200032756962103
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Energy: 1.7666093392475986
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Energy: 1.6224496195522748
Energy: 1.8148066133631768
Energy: 1.6651518939443373
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Energy: 1.620253703908685
Energy: 1.6990532674640526
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Energy: 1.6794552679880248
Energy: 1.5052328218017992
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Energy: 1.6391144485682456
Energy: 1.555472901515102
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Energy: 1.4760720139384162
Energy: 1.803097414058543
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Energy: 1.4873993251705167
Energy: 1.4388710934165498
Energy: 1.6889426849170468
Energy: 1.9865704470949341
Energy: 1.8920435672936748
Energy: 1.8432097996877221
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Energy: 1.4461750166437222
Energy: 1.6566222423053405
Energy: 1.6051183938399807
Energy: 1.7653927469460797
Energy: 1.8552830421903976
Energy: 1.696512030806262
Energy: 1.567915911242955
Energy: 1.7289997848625993
Energy: 1.7443390767757525
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Energy: 1.6713078858522366
Energy: 1.8122705632810545
Energy: 1.7717335127808378
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Energy: 1.7431074529364152
Energy: 1.655456622415648
Energy: 1.5939877813158516
Energy: 1.6501012591950055
Energy: 1.7161459620843378
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Energy: 1.7152616565729346
Energy: 1.8915881480425631
Energy: 1.6618570528845051
Energy: 1.5496095368120646
Energy: 1.607474587093601
Energy: 1.7018955797089186
Energy: 1.903578228814978
Energy: 1.7430288942911933
Energy: 1.903877444610163
Energy: 1.7493034784793422
Energy: 1.5947206146370467
Energy: 1.5050655740796106
Energy: 1.6770200697540172
Energy: 1.9554909516928214
Energy: 1.7880913705533266
Energy: 1.7954869445279908
Energy: 1.7498885424655977
Energy: 1.6207859801578977
Energy: 1.5924879436347037
Energy: 1.6636101495161686
Energy: 1.8062068057059715
Energy: 1.5728921599859682
Energy: 1.6735361694794493
Energy: 1.828665494444553
Energy: 1.8346561885423884
Energy: 1.700591575736349
Energy: 1.7225441906051848
Energy: 1.6124122843678546
Energy: 1.495672571240775
Energy: 1.5353756219692938
Energy: 1.7481113413178795
Energy: 2.0697598549568235
Energy: 1.8323353128798985
Energy: 1.6282494966409395
Energy: 1.584060026577966
Energy: 1.5478449014671194
Energy: 1.5595842042879318
Energy: 1.8426929548000952
Energy: 2.0480793472017145
Energy: 1.8614756424698944
Energy: 1.7567851565633654
Energy: 1.567061343544477
Energy: 1.5302633829160883
Energy: 1.527446414818817
Energy: 1.680255510508973
Energy: 2.000598992990851
Energy: 1.9498168125866042
Energy: 1.694027400304041
Energy: 1.5554021040492594
Energy: 1.5118783188810088
Energy: 1.661444621338701
Energy: 1.5994409274493475
Energy: 1.7938602453616799
Energy: 1.9250556441932585
Energy: 1.6958277996852333
Energy: 1.586372003833309
Energy: 1.7317500594101802
Energy: 1.6445147540777691
Energy: 1.6587989885152177
Energy: 1.6364611521357253
Energy: 1.6902057199057567
Energy: 1.7814626481912303
Energy: 1.785293707704862
Energy: 1.6864728137679894
Energy: 1.7733037455369318
Energy: 1.633119952692895
Energy: 1.6058978889647637
Energy: 1.6182473960595796
Energy: 1.800328137168153
Energy: 1.7380789197369573
Energy: 1.708185090279058
Energy: 2.072575249796392
Energy: 1.6925759080382063
Energy: 1.5450729034637416
Energy: 1.6939037717457095
Energy: 1.7643306409587456
Energy: 1.9337780833692844
Energy: 1.8205069222009305
Energy: 1.7357915489963154
Energy: 1.7449778407164913
Energy: 1.586701020062183
Energy: 1.5370672100821055
Energy: 1.7035150272534392
Energy: 1.7214636547873399
Energy: 1.7977057271485697
Energy: 1.8176488775920618
Energy: 1.7317347618486072
Energy: 1.6851511612876908
Energy: 1.5755447658474284
Energy: 1.6549670904956717
Energy: 1.797376444268856
Energy: 1.5500894915020056
Energy: 1.7293465128859342
Energy: 1.8211547826506058
Energy: 1.773493139663379
Energy: 1.7769959358987888
Energy: 1.6902759281911892
Energy: 1.6296983194686527
Energy: 1.5815625081093465
Energy: 1.538200126575763
Energy: 1.737814366843243
Energy: 2.0111869795539086
Energy: 1.8039444058777656
Energy: 1.648778233446499
Energy: 1.6050132819496221
Energy: 1.5806328955471183
Energy: 1.7147868032005087
Energy: 1.8158381357801314
Energy: 1.9596035295332073
Energy: 1.95895019157304
Energy: 1.693467248383069
Energy: 1.5206081868951806

minimum gb energy = 1.42427080030286 eV
minimum distance =  2.25489155835166 Angstroms
sigma value = 311


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

Energy: 1.6939050164723264
Energy: 1.81592911527292
Energy: 1.6465498960945983
Energy: 1.7774983365613504
Energy: 1.6836305488923373
Energy: 1.742848053203715
Energy: 1.7906581434433433
Energy: 1.6352450556479659
Energy: 1.6921526204476203
Energy: 1.6722264739859183
Energy: 1.6548037457156342
Energy: 1.698198264136978
Energy: 1.6701064651598547
Energy: 1.7117199994153898
Energy: 1.6843760055919956
Energy: 1.6751705021323633
Energy: 1.765995571918613
Energy: 1.6382391058769767
Energy: 1.7003844096265406
Energy: 1.6788031107323638
Energy: 1.7011290239475454
Energy: 1.663412382468639
Energy: 1.7646608552874714
Energy: 1.6764083750569778
Energy: 1.7224520618264831
Energy: 1.6545412088375957
Energy: 1.646657457537181
Energy: 1.811003457878119
Energy: 1.6649341684818537
Energy: 1.8542927817291284
Energy: 1.7729098038222133
Energy: 1.7288799619555622
Energy: 1.6945681307225917
Energy: 1.6801479311697587
Energy: 1.6657284512736648
Energy: 1.6985108733180339
Energy: 1.6557578903242263
Energy: 1.7460266670982678
Energy: 1.7096536813185987
Energy: 1.7549767163764964
Energy: 1.7596185287872061
Energy: 1.6197573014924596
Energy: 1.6281493950033805
Energy: 1.6050644775183764
Energy: 1.692746129028563
Energy: 1.8774438471812775
Energy: 1.8721916770089961
Energy: 1.7227685773766326
Energy: 1.7540270862133487
Energy: 1.6021945996701747
Energy: 1.6537569599610642
Energy: 1.6903580405105643
Energy: 1.6670037296145985
Energy: 1.7637065403085845
Energy: 1.771475036528807
Energy: 1.6397310012053883
Energy: 1.6908349944200647
Energy: 1.6226721530957342
Energy: 1.7252669827050557
Energy: 1.6937931299356437
Energy: 1.8060680903948163
Energy: 1.7767207060337011
Energy: 1.5789535049179868
Energy: 1.589559157469934
Energy: 1.6034385356787486
Energy: 1.6449471943011857
Energy: 1.73894176154797
Energy: 1.8051465140996725
Energy: 1.6519607234799325
Energy: 1.6711426824710884
Energy: 1.7939418089535306
Energy: 1.8247694492204083
Energy: 1.697193940386545
Energy: 1.7333389424095327
Energy: 1.7213936764006201
Energy: 1.7272176833004835
Energy: 1.6922257662931153
Energy: 1.8066714622435156
Energy: 1.7914779344518832
Energy: 1.6978469238091614
Energy: 1.6555548260769777
Energy: 1.6239116898811408
Energy: 1.6848752043169055
Energy: 1.711366226458326
Energy: 1.7176899156248615
Energy: 1.7461283982910965
Energy: 1.721400313685081
Energy: 1.7798028991880845
Energy: 1.7063948847864014
Energy: 1.6563685473942222
Energy: 1.8233310965257918
Energy: 1.7129246619025702
Energy: 1.7635278946676491
Energy: 1.7212159663163742
Energy: 1.6624207823879735
Energy: 1.59359139153421
Energy: 1.6573008780407614
Energy: 1.7598809452595476
Energy: 1.7491012188953927
Energy: 1.6434505883589479
Energy: 1.709679904705603
Energy: 1.6550464449016526
Energy: 1.6667363083405538
Energy: 1.6946207253288843
Energy: 1.6440392466924512
Energy: 1.6633961960376211
Energy: 1.6087340225037028
Energy: 1.662736552310328
Energy: 1.739536774694163
Energy: 1.7153155388143138
Energy: 1.7428440510535437
Energy: 1.6402813843709658
Energy: 1.624520081076898
Energy: 1.748340774046786
Energy: 1.772283209465241
Energy: 1.742579720740493
Energy: 1.8103341210670056
Energy: 1.7630212212101988
Energy: 1.6066180118193985
Energy: 1.7168761958945118
Energy: 1.655043356018137
Energy: 1.5706238176629197
Energy: 1.6957614846924869
Energy: 1.7478193861656195
Energy: 1.7449276066694852
Energy: 1.6336991047682163
Energy: 1.65506792132358
Energy: 1.6669495718228242
Energy: 1.6254053419199164
Energy: 1.6427031439340531
Energy: 1.8379532339715825
Energy: 1.7538378530655718
Energy: 1.6362141579819636
Energy: 1.579650949138964
Energy: 1.611774472035501
Energy: 1.767762210437727
Energy: 1.7407186723342527
Energy: 1.707580599579129
Energy: 1.705950220238232
Energy: 1.724768384802043
Energy: 1.6996779069140115
Energy: 1.6412837593401792
Energy: 1.6893253305902016
Energy: 1.6691432657224012
Energy: 1.6722900109721075
Energy: 1.6688609941212076
Energy: 1.6924133995135047
Energy: 1.6917926111956665
Energy: 1.7276888690407892
Energy: 1.82166413808451
Energy: 1.6427490920359116
Energy: 1.569443285017123
Energy: 1.7075266456137355
Energy: 1.577569493295099
Energy: 1.702161340927527
Energy: 1.8045961122825476
Energy: 1.7907444897447686
Energy: 1.7340457540066359
Energy: 1.6680352778156702
Energy: 1.7003883561198507
Energy: 1.9232881099020287
Energy: 1.7293963034672724
Energy: 1.6378514918496423
Energy: 1.779668658099928
Energy: 1.6881707802775527
Energy: 1.6087113794467334
Energy: 1.7704056652107196
Energy: 1.5838155815619976
Energy: 1.6982527408699624
Energy: 1.621534502016675
Energy: 1.6573177888379682
Energy: 1.632156246648243
Energy: 1.7160051856630822
Energy: 1.6769344119431624
Energy: 1.58633250910663
Energy: 1.6118515854162565
Energy: 1.6497799437772627
Energy: 1.6845599259183353
Energy: 1.66282841803798
Energy: 1.7335283255827536
Energy: 1.7144786708176476
Energy: 1.694138125357461
Energy: 1.6561178197687771
Energy: 1.544969468855332
Energy: 1.69102487793468
Energy: 1.6554806737182983
Energy: 1.7294291945863396
Energy: 1.6921461177703878
Energy: 1.652052733838151
Energy: 1.7245817856267949
Energy: 1.704307548633627
Energy: 1.7156969371442767
Energy: 1.678104975095412
Energy: 1.7160376765193233
Energy: 1.6950564034966324
Energy: 1.6098841352122537
Energy: 1.7097675283156923
Energy: 1.8251202825833823
Energy: 1.7001899862370289
Energy: 1.6732883300988777
Energy: 1.7281101987980778
Energy: 1.7908677161697537
Energy: 1.663717023219866
Energy: 1.6775595576353906
Energy: 1.6479909218070845
Energy: 1.7156712852973026
Energy: 1.7037336925192437
Energy: 1.6041773981881937
Energy: 1.6445362160848132
Energy: 1.6743248644803956
Energy: 1.7245491100676498
Energy: 1.6283311116769645
Energy: 1.772830976094442
Energy: 1.7166103365102099
Energy: 1.7164728004615317
Energy: 1.6605510271707575
Energy: 1.624611236169252
Energy: 1.6969973996177343
Energy: 1.7218410522107126
Energy: 1.7253507680943125
Energy: 1.6299416173940682
Energy: 1.6509330376317242
Energy: 1.674504603969446
Energy: 1.8238824947270693
Energy: 1.644615526762259
Energy: 1.5997032569894178
Energy: 1.6639441916555588
Energy: 1.6863844969141086
Energy: 1.6572761725964784
Energy: 1.6612809592351598
Energy: 1.6521754592128985
Energy: 1.6699719135209947
Energy: 1.6776885095357523
Energy: 1.6745226813820382
Energy: 1.7616409461168652
Energy: 1.729915793435684
Energy: 1.733264818861292
Energy: 1.5818744537940665
Energy: 1.6472923169278255
Energy: 1.7496394864491145
Energy: 1.7199870500961862
Energy: 1.797568030618232
Energy: 1.7636899171093192
Energy: 1.7499862563683606
Energy: 1.6299749788489257
Energy: 1.743460142671905
Energy: 1.67108484704518
Energy: 1.6606644606902101
Energy: 1.7186849242103455
Energy: 1.7254228969394119
Energy: 1.7117307080067317
Energy: 1.7694229213920738

minimum gb energy = 1.544969468855332 eV
minimum distance =  2.25474010936138 Angstroms
sigma value = 39


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

Energy: 1.3737925192447626
Energy: 1.516954335064084
Energy: 1.8231717737043933
Energy: 1.8436867560322374
Energy: 1.640691726359838
Energy: 1.7261134876789763
Energy: 1.4027205019511597
Energy: 1.4191852788780597
Energy: 1.4544535784480033
Energy: 1.5324041922262028
Energy: 1.5422014054254767
Energy: 1.4695491503448965
Energy: 1.477648261822082
Energy: 1.7355424640038826
Energy: 2.3152709287578968
Energy: 1.4573252627435187
Energy: 1.6463279683413394
Energy: 1.4885277544241862
Energy: 1.5107450443495571
Energy: 1.5528075367225498
Energy: 1.6231988100564354
Energy: 1.4370025153117294
Energy: 1.5440779555728492
Energy: 1.5600625348095756
Energy: 1.4936703259193447
Energy: 1.543959952875765
Energy: 1.5705690114116118
Energy: 1.6337882074427286
Energy: 1.4816854323760373
Energy: 1.449581057738729
Energy: 1.5668764452760044
Energy: 1.5143351206612665
Energy: 1.7966223304139295
Energy: 1.894155929173084
Energy: 1.5132941502738861
Energy: 1.4204631061002537
Energy: 1.4697797981864795
Energy: 1.8940678003159077
Energy: 1.9815371148577372
Energy: 1.4780187624930634
Energy: 1.4828477719602224
Energy: 1.6344446945596292
Energy: 1.737600011287299
Energy: 1.8258575191378628
Energy: 1.9036775270623014
Energy: 1.7742658681819956
Energy: 1.3986911747265975
Energy: 1.436067001475052
Energy: 1.7260625163856538
Energy: 1.418231754478325
Energy: 1.4766868336467467
Energy: 1.83727636082476
Energy: 1.4174654212069904
Energy: 1.5506060346527222
Energy: 1.6103567405778674
Energy: 1.5515107818761456
Energy: 1.420232965211536
Energy: 1.4980887581372826
Energy: 1.7873358054289745
Energy: 1.4837135196211237
Energy: 1.5726027780797391
Energy: 1.6010902720995566
Energy: 1.6704088374904977
Energy: 1.7387778091124244
Energy: 1.7509989911347683
Energy: 1.6259707410777944
Energy: 1.5179481554027998
Energy: 1.4572494755313856
Energy: 1.5597628304964966
Energy: 1.7435507418817682
Energy: 1.4622672009326163
Energy: 1.4136223772512515
Energy: 1.5112915192179615
Energy: 1.6297250908817718
Energy: 1.4658857279782838
Energy: 1.5610226131001983
Energy: 1.607284221125423
Energy: 1.5081535061820028
Energy: 1.4551802815858932
Energy: 1.6109288292774036
Energy: 1.541466552762458
Energy: 1.7879604336518053
Energy: 1.7739743433668071
Energy: 1.6941590173645984
Energy: 1.3836960844972772
Energy: 1.4361628631872723
Energy: 1.5749128760349747
Energy: 1.4894347649144248
Energy: 1.5486897239072073
Energy: 1.737692362544011
Energy: 1.5040692470056622
Energy: 1.750991111651115
Energy: 1.4491295293901787
Energy: 1.724395886011106
Energy: 1.812339673216868
Energy: 1.4047660270205433
Energy: 1.4117346764846648
Energy: 1.6440786208771592
Energy: 1.4185259537532702
Energy: 1.6018341023969938
Energy: 1.8351530781929006
Energy: 1.7510378057149423
Energy: 1.4092660029393305
Energy: 1.3962908007431234
Energy: 1.645239679366631
Energy: 1.3738732061894916
Energy: 1.6997899968664512
Energy: 1.8283091454608746
Energy: 1.8152418913970236
Energy: 1.645250611065532
Energy: 1.7247156873270415
Energy: 1.402402849346622
Energy: 1.4736227270071423
Energy: 1.4513625088859419
Energy: 1.6455427142741814
Energy: 1.5414175181076641
Energy: 1.4685778723911302
Energy: 1.4807094825300164
Energy: 1.735538702888982
Energy: 2.314667469620705
Energy: 1.456671572352682
Energy: 1.6460985470421696
Energy: 1.5169202515025253
Energy: 1.4972876488598719
Energy: 1.5530759768979119
Energy: 1.6781127562878073
Energy: 1.4370149664339797
Energy: 1.7016361162046985
Energy: 1.5604401125431544
Energy: 1.495036031098298
Energy: 1.5443177309993261
Energy: 1.580885906917464
Energy: 1.6401343409430875
Energy: 1.4816169306078986
Energy: 1.4529155589388538
Energy: 1.5672879075751747
Energy: 1.5144396729371283
Energy: 1.8179266469908548
Energy: 1.8943022147765365
Energy: 1.5132459719810964
Energy: 1.4106123198923284
Energy: 1.6293832080608834
Energy: 1.895048560750231
Energy: 1.943458127310104
Energy: 1.5232438944000553
Energy: 1.415902429961902
Energy: 1.6353335224019907
Energy: 1.7474854911640545
Energy: 1.824826426393131
Energy: 1.9070725445099699
Energy: 1.7748398979610174
Energy: 1.3990273920145513
Energy: 1.4363108224090604
Energy: 1.7239971750813343
Energy: 1.3996635758872227
Energy: 1.476729412424817
Energy: 1.8559075986916187
Energy: 1.4174093704156168
Energy: 1.5500240509474177
Energy: 1.6051721819419948
Energy: 1.551619380639441
Energy: 1.4142015436505542
Energy: 1.4987730415269505
Energy: 1.7871303304314754
Energy: 1.483949891177848
Energy: 1.573635214909082
Energy: 1.599325911200667
Energy: 1.6607792091328297
Energy: 1.7394258143218242
Energy: 1.7532109651738181
Energy: 1.6256942540570127
Energy: 1.5165809354450406
Energy: 1.4559548586254387
Energy: 1.5494117912853416
Energy: 1.683162281778564
Energy: 1.4669993324117199
Energy: 1.458567754340668
Energy: 1.5112390987414093
Energy: 1.63045322324884
Energy: 1.466488163683479
Energy: 1.578923589267377
Energy: 1.6085671087728959
Energy: 1.5078781372885175
Energy: 1.4763079041063845
Energy: 1.6113436474996434
Energy: 1.5425077530649618
Energy: 1.7829020316090844
Energy: 1.7732623972716288
Energy: 1.6942571269429814
Energy: 1.3983233262585717
Energy: 1.4358957838059918
Energy: 1.6011291706872477
Energy: 1.4900671811784294
Energy: 1.5368374862729501
Energy: 1.7007552312841334
Energy: 1.5049932579555365
Energy: 1.7509892299177607
Energy: 1.5110336000593843
Energy: 1.7247893173148368
Energy: 1.81688095372443
Energy: 1.413250553401006
Energy: 1.4111874876200579
Energy: 1.644322876388622
Energy: 1.3982166875332336
Energy: 1.6011815566627814
Energy: 1.6840837078284723
Energy: 1.914252781151343
Energy: 1.4063454642423145
Energy: 1.3948880585957608
Energy: 1.6457758599301193

minimum gb energy = 1.3737925192447626 eV
minimum distance =  2.26035796258696 Angstroms
sigma value = 21


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

Energy: 1.661949065273189
Energy: 1.7648282622707863
Energy: 1.7979121392522996
Energy: 1.8983589292768386
Energy: 1.7054190609065605
Energy: 1.631527310996686
Energy: 1.7590083856031538
Energy: 1.7027045920013695
Energy: 1.906739374148496
Energy: 1.819457673401976
Energy: 1.794756646867021
Energy: 1.720722218167129
Energy: 1.7761552360784783
Energy: 1.7899158241711486
Energy: 1.761213345804035
Energy: 1.6967947912377792
Energy: 1.6064980288188648
Energy: 1.7407135549259387
Energy: 1.702519910269829
Energy: 1.7339520032961977
Energy: 1.7507001002892622
Energy: 1.756560472709769
Energy: 1.8543624780282328
Energy: 1.5539033137580043
Energy: 1.7481266313498027
Energy: 1.561455901765999
Energy: 1.5037586580358842
Energy: 1.7453880987250874
Energy: 1.6465064964441583
Energy: 1.5313432661154596
Energy: 1.638912747858297
Energy: 1.6479694418460267
Energy: 1.6689105856975353
Energy: 1.735925239782018
Energy: 1.6392612233106072
Energy: 1.5449843382390547
Energy: 1.5330377250474776
Energy: 1.6356013576772377
Energy: 1.7502831065183087
Energy: 1.6568317760610158
Energy: 1.811686764562725
Energy: 1.6082701549824803
Energy: 1.796289196919069
Energy: 1.931293807717062
Energy: 1.502756585100188
Energy: 1.5868518411021155
Energy: 1.407658048564241
Energy: 1.415035190970763
Energy: 1.7361515575841882
Energy: 1.6568685343473417
Energy: 1.4878126104360476
Energy: 1.5922025965293023
Energy: 1.7548080984185188
Energy: 1.6485364338406188
Energy: 1.6379658720212362
Energy: 1.6738616592503004
Energy: 1.6322743390403767
Energy: 1.719686375068316
Energy: 1.6763489653626373
Energy: 1.761577397660971
Energy: 1.6971457750776553
Energy: 1.9088846387995635
Energy: 1.8089913482255178
Energy: 1.6961676174287115
Energy: 1.7436934319086852
Energy: 1.601529935356315
Energy: 1.6409397139862405
Energy: 1.6574222067056423
Energy: 1.7439300616546565
Energy: 1.7773792820136485
Energy: 1.6982106704660673
Energy: 1.8092866906525575
Energy: 1.5859975088718268
Energy: 1.9953215321721776
Energy: 1.7045960420091963
Energy: 1.7568562209878114
Energy: 1.7722305010769088
Energy: 1.7389335150301248
Energy: 1.7114721126720316
Energy: 1.9278493642603913
Energy: 1.944257320379811
Energy: 1.8124429149243702
Energy: 1.6597661501914824
Energy: 1.8071323704278628
Energy: 1.6481145077475305
Energy: 1.925092644372631
Energy: 1.7908833515065004
Energy: 1.7028408307029335
Energy: 1.642555433697692
Energy: 1.617893720415306
Energy: 1.7263044351084011
Energy: 1.703454055933954
Energy: 1.737104434395721
Energy: 1.9687028783415688
Energy: 1.7022495015308103
Energy: 1.7231852868376296
Energy: 1.706361604955258
Energy: 1.8257571417346867
Energy: 1.7165949112702743
Energy: 1.6838928123395434
Energy: 1.648968041689283
Energy: 1.7301073878550572
Energy: 1.6920404443180286
Energy: 1.7231393840466327
Energy: 1.8850287713285834
Energy: 1.8866739119754232
Energy: 1.7176472457598444
Energy: 1.5861792016992005
Energy: 1.6785932353913295
Energy: 1.57476934398435
Energy: 1.6461287829393059
Energy: 1.8089951438644054
Energy: 1.67919510718906
Energy: 1.6695636948307906
Energy: 1.6168267855547525
Energy: 1.5102766130802208
Energy: 1.6862005802449735
Energy: 1.7332070390558243
Energy: 1.6531180783316741
Energy: 1.4985160782907236
Energy: 1.4487190525873654
Energy: 1.6992305213856373
Energy: 1.6782968848770494
Energy: 1.9197774035811819
Energy: 1.8950114553500024
Energy: 1.6629102589870342
Energy: 1.735415643362741
Energy: 1.695877353706966
Energy: 1.7864379272202005
Energy: 1.5440316421907112
Energy: 1.422137050138887
Energy: 1.4726024764358467
Energy: 1.6548256323097685
Energy: 1.8801677684933855
Energy: 1.7081366003442953
Energy: 1.662485605179452
Energy: 1.5808430210800744
Energy: 1.4510367200284913
Energy: 1.5138441609882334
Energy: 1.7182890052397424
Energy: 1.5781410480867255
Energy: 1.7685977602706935
Energy: 1.6811467348762301
Energy: 1.8005052212663235
Energy: 1.7338807925021973
Energy: 1.7990574955186773
Energy: 1.8750152986169233
Energy: 1.6922526134166351
Energy: 1.777898430376289
Energy: 1.6070889880009844
Energy: 1.621699996271308
Energy: 1.7831162776693255
Energy: 1.7406902791456813
Energy: 1.7965511546177635
Energy: 1.7022254568699666
Energy: 1.8187944916544532
Energy: 1.8029280851543408
Energy: 1.8258392349706254
Energy: 1.6449557308382665
Energy: 1.6921590563539477
Energy: 1.8395029230326714
Energy: 1.7450353158476748
Energy: 1.9436572882599763
Energy: 1.774247590768533
Energy: 1.8962485547073389
Energy: 1.6726989336595381
Energy: 1.67077030243268
Energy: 1.8671627588371913
Energy: 1.7051835713103498
Energy: 1.7155354490715042
Energy: 2.0606553743768954
Energy: 1.7892256473343553
Energy: 1.6201577374055824
Energy: 1.6307457298407222
Energy: 1.8373482162384591

minimum gb energy = 1.407658048564241 eV
minimum distance =  2.26573296460156 Angstroms
sigma value = 113


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

Energy: 1.6039727414073344
Energy: 2.0195476009507094
Energy: 1.776289799979881
Energy: 1.8198141933509173
Energy: 1.8087685295499407
Energy: 1.736724947391584
Energy: 1.956722548054217
Energy: 1.860654977523258
Energy: 1.9003388320642933
Energy: 1.8658456578691265
Energy: 1.9395127095407325
Energy: 1.8575325412658141
Energy: 1.8337430728296444
Energy: 1.904391104529903
Energy: 1.943393565140474
Energy: 1.7645413796619493
Energy: 1.6655161567917554
Energy: 1.7942940746030867
Energy: 1.7603652863150137
Energy: 1.638224828937541
Energy: 1.9232246778810242
Energy: 1.725792358034579
Energy: 1.9310786283282282
Energy: 1.6769516740650767
Energy: 1.7448995967246426
Energy: 1.7372981803954524
Energy: 1.6596332513736731
Energy: 1.9753039763548037
Energy: 1.6415731957006054
Energy: 1.7064356083690075
Energy: 1.7200346802106423
Energy: 1.702546499608914
Energy: 1.7249226228670727
Energy: 1.8379240571533728
Energy: 1.7055754335370175
Energy: 1.510616011141893
Energy: 1.7864139470308462
Energy: 1.6419988623459638
Energy: 1.8299912742385929
Energy: 1.6669658692137206
Energy: 1.6257561031027261
Energy: 1.7571712691170092
Energy: 1.7583327494603067
Energy: 1.6536556124901405
Energy: 1.8289714083031325
Energy: 1.5346679345813485
Energy: 1.6295062987084192
Energy: 1.7760046813679151
Energy: 1.7266785599843002
Energy: 1.8954928453333268
Energy: 1.6116291991418925
Energy: 1.745643662349052
Energy: 1.7778963277804525
Energy: 1.7390381140218465
Energy: 1.743325872672995
Energy: 1.6112504989182277
Energy: 1.6632436962068973
Energy: 1.766273581774298
Energy: 1.7126822074622177
Energy: 1.7430787364782863
Energy: 1.6821683106322463
Energy: 1.7446243032182789
Energy: 1.7873355135340545
Energy: 1.6195344497784048
Energy: 1.725727261551159
Energy: 1.70731119206873
Energy: 1.8094292562521952
Energy: 1.8728490803700355
Energy: 1.8260765580811287
Energy: 1.6720518063803866
Energy: 1.7166077950372718
Energy: 1.6847481175207326
Energy: 1.7465357924806495
Energy: 1.8454092708004088
Energy: 1.7302648476814346
Energy: 1.697699446997285
Energy: 1.708394111454336
Energy: 1.741857323890931
Energy: 1.991835779665312
Energy: 1.735800232363062
Energy: 1.6910749240622824
Energy: 1.6499280090816157
Energy: 1.6311923908116504
Energy: 1.8348242147326428
Energy: 1.8290096585380198
Energy: 1.5797757599018218
Energy: 1.640940999050569
Energy: 1.7550357205115215
Energy: 1.7120044099437093
Energy: 1.6670567289008302
Energy: 1.6806081849181376
Energy: 1.6965565931740032
Energy: 1.6714257756596191
Energy: 1.6074691469233584
Energy: 1.783476750235386
Energy: 1.791036518545469
Energy: 1.8663132460640657
Energy: 1.6202845610389933
Energy: 1.543100479089692
Energy: 1.7848443462587558
Energy: 1.6416340173640007
Energy: 1.7267822182327968
Energy: 1.7833743624943
Energy: 1.7476111799427743
Energy: 1.7555734799466052
Energy: 1.626619794104176
Energy: 1.5996922610082172
Energy: 1.8197004294023595
Energy: 1.7660425922697365
Energy: 1.762328017011199
Energy: 1.7558787509519587
Energy: 1.7066021846432216
Energy: 1.804088567046387
Energy: 1.8044751602337499
Energy: 1.6974278861606762
Energy: 1.6939041429305557
Energy: 1.644258848852118
Energy: 1.645981222036981
Energy: 1.580346941895644
Energy: 1.5754719932139454
Energy: 1.752389226433239
Energy: 1.6098755771974183
Energy: 1.737462043030234
Energy: 1.6502170370260334
Energy: 1.655817245278006
Energy: 1.8786110454795215
Energy: 1.8081319277355512
Energy: 1.77344138662331
Energy: 1.7689953174015218
Energy: 1.7426685283089394
Energy: 1.885500655147374
Energy: 1.8630027089062915
Energy: 1.8074239588530432
Energy: 1.6370003870764045
Energy: 2.009412989388297
Energy: 1.6600229816441743
Energy: 1.8060088532498777
Energy: 1.7926234617694916
Energy: 1.73817000673794
Energy: 1.9436704026883855
Energy: 1.847992609303804
Energy: 1.8811714857209383
Energy: 1.7992063713261963
Energy: 1.9094918126754143
Energy: 1.770073084265976
Energy: 1.6292337454113384
Energy: 1.89909506287454
Energy: 1.881867978597114
Energy: 1.9636108024620542
Energy: 1.8462119615367116
Energy: 1.9860057004666787
Energy: 1.7977019928459228
Energy: 1.6058739542622715
Energy: 1.9018230726184553
Energy: 1.6031237808110967
Energy: 2.045442954453025
Energy: 1.7729890853911805
Energy: 1.817125116107112
Energy: 1.8176032623293543
Energy: 1.7131168429045802
Energy: 1.9551185044688033
Energy: 1.8752538756303774
Energy: 1.8938483309637588
Energy: 1.849918510154425
Energy: 1.9199113995096277
Energy: 1.8604469523552327
Energy: 1.8206510647620893
Energy: 1.9049106200342572
Energy: 1.640927129455132
Energy: 1.7645197380512059
Energy: 1.66392611760898
Energy: 1.8022657451348045
Energy: 1.6701401872996473
Energy: 1.6335355882441285
Energy: 1.9362071931279634
Energy: 1.726234863692158
Energy: 1.897539200960319
Energy: 1.6574003095706438
Energy: 1.741399130496533
Energy: 1.7213947679342956
Energy: 1.6588921822083222
Energy: 1.9332142298249801
Energy: 1.6627868510814163
Energy: 1.7061041550823102
Energy: 1.8020487765775441
Energy: 1.6617052575691758
Energy: 1.7208648465412664
Energy: 1.8499894276089255
Energy: 1.7083390454560763
Energy: 1.5094665127975435
Energy: 1.7850026930405274
Energy: 1.6670372352465235
Energy: 1.8353410327607833
Energy: 1.7567713212793656
Energy: 1.7133744718745834
Energy: 1.7443203681334651
Energy: 1.7589356308441222
Energy: 1.594951226481144
Energy: 1.8944673517349748
Energy: 1.6700789203728252
Energy: 1.6711625527576681
Energy: 1.7785693289709044
Energy: 1.7046000558078496
Energy: 1.9153433012868877
Energy: 1.608477083096118
Energy: 1.678402777728647
Energy: 1.7767147759245043
Energy: 1.7390541603470362
Energy: 1.6482845869609601
Energy: 1.7535584664373953
Energy: 1.6501038203367018
Energy: 1.650197754580989
Energy: 1.7129597758064616
Energy: 1.811596432923596
Energy: 1.7104666476591142
Energy: 1.7270465071727517
Energy: 1.7125840466020803
Energy: 1.7099892260106624
Energy: 1.7076336806281711
Energy: 1.6817164651211907
Energy: 1.8113656705145078
Energy: 1.8312305075205275
Energy: 1.8097769602955847
Energy: 1.5762775756790999
Energy: 1.693827311383217
Energy: 1.6600677722743236
Energy: 1.7124465866801821
Energy: 1.8609171598020733
Energy: 1.8129292992221677
Energy: 1.7502834771973563
Energy: 1.7214074950681388
Energy: 1.747660122143925
Energy: 1.6893123376111048
Energy: 1.7434056644991789
Energy: 1.666153296337687
Energy: 1.6608027903957154
Energy: 1.646490014009919
Energy: 1.7351769475872083
Energy: 1.8719456345169283
Energy: 1.5877084055950585
Energy: 1.6784161303896585
Energy: 1.7529254895526274
Energy: 1.7321764367011547
Energy: 1.7302335474757755
Energy: 1.6720623742601908
Energy: 1.6779642066922518
Energy: 1.6191161484727248
Energy: 1.7890069945558644
Energy: 1.7679456634219433
Energy: 1.7984026249518223
Energy: 1.8309214334244488
Energy: 1.7883943748517217
Energy: 1.5415607688485529
Energy: 1.8473341173129718
Energy: 1.6456546817265838
Energy: 1.7214870228890145
Energy: 1.7419720136405832
Energy: 1.7284244956346282
Energy: 1.7433403812489747
Energy: 1.6351593656262309
Energy: 1.609446212208546
Energy: 1.838066385791638
Energy: 1.6207859245920468
Energy: 1.6980270928369963
Energy: 1.7758709245712656
Energy: 1.7005258295186363
Energy: 1.7339414135995912
Energy: 1.9845389792730057
Energy: 1.6948045887327206
Energy: 1.7352569460141785
Energy: 1.635190398238248
Energy: 1.565163928142122
Energy: 1.6780090750079855
Energy: 1.5579552133859074
Energy: 1.7632250256486255
Energy: 1.6088376883923619
Energy: 1.7531717754159348
Energy: 1.7545627944326372
Energy: 1.6451900990248345
Energy: 1.828644714922541
Energy: 1.8112081074957969
Energy: 1.7777647797671647
Energy: 1.7629109900695852
Energy: 1.814159053297645
Energy: 1.8462960268586877
Energy: 1.8851478263171126
Energy: 1.8195106211038368
Energy: 1.639107404493759
Energy: 2.0213807033490925
Energy: 1.6713631616718243
Energy: 1.8105587467495488
Energy: 1.8029608437320221
Energy: 1.7546870997602582
Energy: 1.949656535224491
Energy: 1.8641904414510797
Energy: 1.9278845951964896
Energy: 1.8087231525314038
Energy: 1.9566484704593112
Energy: 1.8127249245551147
Energy: 1.6530962384514332
Energy: 1.8870031414957422
Energy: 1.836875982176675
Energy: 1.9826291385911528
Energy: 1.8432592559174894
Energy: 1.8776209148007799
Energy: 1.7365904015593914
Energy: 1.591518512237563
Energy: 1.881580919815685
Energy: 1.6028651684684596
Energy: 2.0653505028909374
Energy: 1.7628693838995038
Energy: 1.953291823525282
Energy: 1.8551841534825784
Energy: 1.7057142020693326
Energy: 1.9552058357068984

minimum gb energy = 1.5094665127975435 eV
minimum distance =  2.22861624362034 Angstroms
sigma value = 365


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

Energy: 1.4606841985297156
Energy: 1.3040631977882209
Energy: 1.4414792444750864
Energy: 1.300872825143469
Energy: 1.3019721316591546
Energy: 1.283851640312921
Energy: 1.3104047777119627
Energy: 1.4346382196785037
Energy: 1.7981365208487345
Energy: 1.3305488112803425
Energy: 1.3822352025740103
Energy: 1.3629267594886787
Energy: 1.3289310949514772
Energy: 1.8270823066708024
Energy: 1.3658325249425944
Energy: 1.8164391002268088
Energy: 1.3369472281014934
Energy: 1.3492839876259655
Energy: 1.3042211867551539
Energy: 1.3325544618405378
Energy: 1.389481026152814
Energy: 1.367907136572864
Energy: 1.8185527179288545
Energy: 1.333186298865178
Energy: 1.34842285152413
Energy: 1.3089512610431322
Energy: 1.3316233177832029
Energy: 1.379761558664508
Energy: 1.4194237486673744
Energy: 1.8932025616223092
Energy: 1.3267779144445107
Energy: 1.63596625126194
Energy: 1.3825659009761748
Energy: 1.3183330863571048
Energy: 1.895026674585457
Energy: 1.4696852038115333
Energy: 1.734945599707182
Energy: 1.3007831580590854
Energy: 1.312634955800844
Energy: 1.306646969993596
Energy: 1.284401407338058
Energy: 1.3060117739509087
Energy: 1.3646876413254976
Energy: 1.8034983542072927
Energy: 1.3387640582919997
Energy: 1.4010338782828193
Energy: 1.354339480958356
Energy: 1.3380831695950501
Energy: 1.8283430871291304
Energy: 1.364378377991449
Energy: 1.795018883379283
Energy: 1.3380926283280257
Energy: 1.3058194005345993
Energy: 1.320434885318947
Energy: 1.3329021882292487
Energy: 1.7952541955399202
Energy: 1.470367653735159
Energy: 1.7664550086033683
Energy: 1.3660727407517785
Energy: 1.3130742196789478
Energy: 1.3147435125992102
Energy: 1.2835600110380128
Energy: 1.3078574140804284
Energy: 1.4466590922134415
Energy: 1.7409549382376035
Energy: 1.32700345716942
Energy: 1.6356024690109545
Energy: 1.637771634151363
Energy: 1.3276391029032006
Energy: 1.894395244198418
Energy: 1.3709392422357258
Energy: 1.8335917401016353
Energy: 1.3331135622804149
Energy: 1.313277349477188
Energy: 1.3078284124051673
Energy: 1.3317593917878363
Energy: 1.3116057645511567
Energy: 1.3646565309893575
Energy: 1.813363409279672
Energy: 1.3371180724757192
Energy: 1.3085844073209767
Energy: 1.3196387987719662
Energy: 1.3432456155884334
Energy: 1.7957794015511896
Energy: 1.364506879391306
Energy: 1.8227040772508654
Energy: 1.3394788491503822
Energy: 1.3310458923458632
Energy: 1.3431318546269764
Energy: 1.3387535331364728
Energy: 1.8280419412698996
Energy: 1.4697569500613223
Energy: 1.7618863525137953
Energy: 1.4415364563642052
Energy: 1.3016608799443432
Energy: 1.306568325492601
Energy: 1.284401626274709
Energy: 1.304744279357657
Energy: 1.4344453412072664
Energy: 1.8587752574908993
Energy: 1.3265748419603356
Energy: 1.3816596325046806
Energy: 1.3892691101476735
Energy: 1.3557931516461044
Energy: 1.8270391584031729
Energy: 1.3668788813042048
Energy: 1.8173015930609078
Energy: 1.3333653173647515
Energy: 1.3485659877019152
Energy: 1.3029211758713286
Energy: 1.331721435927098
Energy: 1.3921898919010725
Energy: 1.3670342398342252
Energy: 1.8170952351602354
Energy: 1.3336849027445592
Energy: 1.3490250871136593
Energy: 1.3031424758220203
Energy: 1.332025648445033
Energy: 1.3918954793221607
Energy: 1.4342266405315953
Energy: 1.869728803796068
Energy: 1.3486413471305727
Energy: 1.3606073326990955
Energy: 1.388293400550104
Energy: 1.3550236622206142
Energy: 1.8271252039279162
Energy: 1.4700125070077095
Energy: 1.857221276146734
Energy: 1.441554375363526
Energy: 1.3008150629153432
Energy: 1.3061816361637069
Energy: 1.284283323187081
Energy: 1.3047070867629078
Energy: 1.3814580550910656
Energy: 1.8076709924955323
Energy: 1.3235912719471372
Energy: 1.3429894647470886
Energy: 1.359033873645524
Energy: 1.3298436061892274
Energy: 1.8277603627025143

minimum gb energy = 1.2835600110380128 eV
minimum distance =  2.27110353784012 Angstroms
sigma value = 23