Model name: model_name=Sim_LAMMPS_ADP_StarikovGordeevLysogorskiy_2020_SiAuAl__SM_113843830602_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.025435209274292
cohesive_energy=3.381271244149137
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.212363854594532e-19, 1.71623558857446e-19, 2.2832298775807197e-19, 2.8457220502454396e-19, 3.3121957772345398e-19, 3.67943068351368e-19, 3.9972384406339203e-19, 4.29934486674096e-19, 4.58621459305866e-19, 4.73007403302552e-19, 4.838044716390779e-19, 4.93234883306802e-19, 5.01638299752132e-19, 5.09250240940266e-19, 5.160755134011059e-19, 5.2204522353939e-19, 5.27096886466392e-19, 5.31244921771818e-19, 5.34580653523806e-19, 5.37208223203566e-19, 5.392093418194319e-19, 5.40608042020914e-19, 5.414299586341559e-19, 5.416975221320339e-19, 5.41396312924842e-19, 5.4040456558839595e-19, 5.385684711658319e-19, 5.35706983697508e-19, 5.31523700506134e-19, 5.25768682036806e-19, 5.18169558261744e-19, 5.08401087324246e-19, 4.96086757715322e-19, 4.8079718609706e-19, 4.619507823513179e-19, 4.4065465053219e-19, 4.15385120660742e-19, 3.8225050569298794e-19, 3.3822108961403397e-19, 2.7910718052597e-19, 1.9870194614867997e-19, 8.7624642290094e-20, -6.93391605839154e-20, -3.03590041670124e-19, -6.83203364623548e-19, -1.3455015285266638e-18, -2.5180769285924397e-18, -4.1103200674616396e-18, -4.6136118135000595e-18, -5.259769649992259e-18, -6.099230097376559e-18, -7.28064310375548e-18, -9.304977259048139e-18, -1.3271934561299458e-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: 0.01288005225734787
Energy: 0.35090003813546183
Energy: 0.24317315358364158
Energy: 0.5106769371646064
Energy: 0.4487163881292136
Energy: 0.17411566861216696
Energy: 0.013983424072747488
Energy: 0.07175563675686278
Energy: 0.4452157189505541
Energy: 0.1360638171011454
Energy: 0.34996707622386547
Energy: 0.339075022219054
Energy: 0.013404077532073873
Energy: 0.07215598607623662
Energy: 0.013223342588658735
Energy: 0.4451530785347085
Energy: 0.4471855334481336
Energy: 0.44738345471824675
Energy: 0.4370472386735828
Energy: 0.07165003320792108
Energy: 0.07344143764999482
Energy: 0.014616633062024261
Energy: 0.35122718558443533
Energy: 0.3191673286649091
Energy: 0.5106831262083587
Energy: 0.4454757218639876
Energy: 0.07175337529339725
Energy: 0.01376812499872084
Energy: 0.17395893822580302
Energy: 0.4463899081698083
Energy: 0.13598910225589111
Energy: 0.35027913552466056
Energy: 0.336870577430754
Energy: 0.013635472965616326
Energy: 0.0716069063032591
Energy: 0.013165682226155646
Energy: 0.4453377082186771
Energy: 0.44728743835380463
Energy: 0.4474224986293181
Energy: 0.3726698912199138
Energy: 0.07156325709081164
Energy: 0.07299409593585778

minimum gb energy = 0.01288005225734787 eV
minimum distance =  2.8202655319966 Angstroms
sigma value = 5


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

Energy: 0.6490160789062416
Energy: 0.7767566792020539
Energy: 0.6256456023471934
Energy: 0.6784322484205046
Energy: 0.6645704726892736
Energy: 0.6267368254092094
Energy: 0.6059245590279996
Energy: 0.5664615137576535
Energy: 0.5912951084188105
Energy: 0.5750163609659572
Energy: 0.6129054370464284
Energy: 0.617352007743624
Energy: 0.6010601421613716
Energy: 0.637519097609072
Energy: 0.691549664120661
Energy: 0.6484696916160784
Energy: 0.62026627464621
Energy: 0.6247095426459399
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Energy: 0.635049050376198
Energy: 0.6626510457044321
Energy: 0.5864165718736286
Energy: 0.6105295555133107
Energy: 0.5789637117944418
Energy: 0.6556048359762785
Energy: 0.6011648627050469
Energy: 0.5807917950933607
Energy: 0.651383440463599
Energy: 0.643318068074788
Energy: 0.5926371802703413
Energy: 0.6374452082748395
Energy: 0.6243651839514216
Energy: 0.624507019978261
Energy: 0.6023202705921485
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Energy: 0.5980004188423139
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Energy: 0.6056728114205625
Energy: 0.6021296314105384
Energy: 0.6244701922351832
Energy: 0.6709665350197002
Energy: 0.6020301577460987
Energy: 0.5798919230396958
Energy: 0.5917255589122151
Energy: 0.680939204685964
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Energy: 0.6183973530152839
Energy: 0.6111449394114594
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Energy: 0.6640445600831317
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Energy: 0.6438227211737116
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Energy: 0.6188050685668491
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Energy: 0.5993759737310511
Energy: 0.655868741248568
Energy: 0.6068561458448214
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Energy: 0.642497880928586
Energy: 0.6161166047069242
Energy: 0.6442450563421602
Energy: 0.6661654546384058
Energy: 0.6253329841096623
Energy: 0.6019552176060595
Energy: 0.6483551716885849
Energy: 0.5711405936056003
Energy: 0.5927787680232967
Energy: 0.6155290573980167
Energy: 0.5747127390073042
Energy: 0.6196035893311337
Energy: 0.6293077201787305
Energy: 0.6243321257638761
Energy: 0.6181951438125137
Energy: 0.6412492625185136
Energy: 0.6005215543273733
Energy: 0.615271184254514
Energy: 0.661260816420545
Energy: 0.5616540732336956
Energy: 0.6485071115889597
Energy: 0.5929471881235253
Energy: 0.6123211057244652
Energy: 0.6310592500261022
Energy: 0.5806872585633839
Energy: 0.6612767416819247
Energy: 0.6714926489451448
Energy: 0.5866108418169044
Energy: 0.6355136432399073
Energy: 0.5989576827086961
Energy: 0.622572322762306
Energy: 0.6586047365900409
Energy: 0.5999734968295234
Energy: 0.5836678457295672
Energy: 0.6305685769575873
Energy: 0.5965149796104035
Energy: 0.6720946854359171
Energy: 0.6206575887823623
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Energy: 0.6425072385230336
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Energy: 0.6068004010434921
Energy: 0.6108322745647901
Energy: 0.6746664499550706
Energy: 0.613571745985123
Energy: 0.6088818022826873
Energy: 0.6260364821749536

minimum gb energy = 0.5616540732336956 eV
minimum distance =  2.54935070445289 Angstroms
sigma value = 401


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

Energy: 0.6246497063944972
Energy: 0.7123151862670078
Energy: 0.5950374100410663
Energy: 0.7021800554941309
Energy: 0.5939656054301697
Energy: 0.5948570325339918
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Energy: 0.644010685475612
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Energy: 0.573041522985102
Energy: 0.5876863218574928
Energy: 0.6129661238972406
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Energy: 0.6055873862591165
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Energy: 0.6360995411252433
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Energy: 0.5888556134560667
Energy: 0.584286265342869
Energy: 0.5829488739940385
Energy: 0.6110638276482526
Energy: 0.6334317992204459
Energy: 0.5764443151311945
Energy: 0.5675949006157139
Energy: 0.6277406994169983
Energy: 0.5821864017145159
Energy: 0.5734345641790973
Energy: 0.5682005739957772
Energy: 0.6108586948152693
Energy: 0.6472447239294015
Energy: 0.6304048963438262
Energy: 0.6343781539371809
Energy: 0.5883336499116797
Energy: 0.651755961061088
Energy: 0.6437762267230646
Energy: 0.6034095051925865
Energy: 0.5946918846695235
Energy: 0.6042637501581907
Energy: 0.5865333310449108
Energy: 0.6094701355051413
Energy: 0.6150503751805263
Energy: 0.6152687673262716
Energy: 0.5939573336843734
Energy: 0.6241047591549348
Energy: 0.5872424245466812
Energy: 0.7081669302187512
Energy: 0.6027098727798266
Energy: 0.587493118195304
Energy: 0.5967583348510174
Energy: 0.5764014700819492
Energy: 0.584180274039592
Energy: 0.632198818944773
Energy: 0.5959112484169057
Energy: 0.579579278318471
Energy: 0.5992525130388783
Energy: 0.582679307025973
Energy: 0.5760220875844022
Energy: 0.5807240906694721
Energy: 0.6428898713716243
Energy: 0.587635440935234
Energy: 0.6497735075232768
Energy: 0.6091286053569115
Energy: 0.5799842794934087
Energy: 0.5918213860275834
Energy: 0.5738682154189033
Energy: 0.5847519923143554
Energy: 0.5776292889104282
Energy: 0.6318631521222179
Energy: 0.6106626944377611
Energy: 0.5960843377906627
Energy: 0.6597778230531803
Energy: 0.6288031662095646
Energy: 0.6140537346607203
Energy: 0.6484092187107822
Energy: 0.5945981078285217
Energy: 0.6555025415316854
Energy: 0.6354178121183786
Energy: 0.6090252973993227
Energy: 0.5942466165525887
Energy: 0.5923855372867391
Energy: 0.5975065734252658
Energy: 0.5866480542764726
Energy: 0.5839713496718527
Energy: 0.6555409826718458
Energy: 0.6348586422399353
Energy: 0.5948822888309703
Energy: 0.6320579767575422
Energy: 0.598322379930798
Energy: 0.5826311292242635
Energy: 0.5857405871295918
Energy: 0.63671413961063
Energy: 0.6064877895180341
Energy: 0.5966721674834112
Energy: 0.56818151596492
Energy: 0.5935085457329585
Energy: 0.5809098343803517
Energy: 0.5739233934652952
Energy: 0.6577996139218976
Energy: 0.6591433236285679
Energy: 0.6079246301256913
Energy: 0.615868221149794
Energy: 0.6492235988456131
Energy: 0.6012692841697215
Energy: 0.5678531144953122
Energy: 0.6179426088963772
Energy: 0.590567586298462
Energy: 0.609809151414225
Energy: 0.6021165615603025
Energy: 0.5657569418180858
Energy: 0.5959059819384276
Energy: 0.6268824560515629
Energy: 0.6062656210502918
Energy: 0.6185106519223804
Energy: 0.6069842252311353
Energy: 0.5857034456492678
Energy: 0.5794937633695124
Energy: 0.5953172674018148
Energy: 0.6118345879683345
Energy: 0.6212582022415176
Energy: 0.5728823323420625
Energy: 0.5799794645545756
Energy: 0.6210740704137309
Energy: 0.6078708839094022
Energy: 0.5815646878335544
Energy: 0.6092425956679973
Energy: 0.5997771887256367

minimum gb energy = 0.5643457036634153 eV
minimum distance =  2.54332375642776 Angstroms
sigma value = 311


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

Energy: 0.6080614739196952
Energy: 0.6000210212017212
Energy: 0.61895563026249
Energy: 0.6324655891386647
Energy: 0.582466647374387
Energy: 0.5746631793224596
Energy: 0.5743959829420818
Energy: 0.5958983952280933
Energy: 0.6530092891174595
Energy: 0.5762310061731305
Energy: 0.5906061756609694
Energy: 0.6160251871436003
Energy: 0.5863578003693921
Energy: 0.6293696498654622
Energy: 0.5879176532574971
Energy: 0.5967188876050039
Energy: 0.5780098987099817
Energy: 0.5845700400743695
Energy: 0.6164624650964559
Energy: 0.5773849404734808
Energy: 0.6222210167373418
Energy: 0.5651187709880554
Energy: 0.6438791217519149
Energy: 0.5760454032569029
Energy: 0.6288838962740705
Energy: 0.6306709852349367
Energy: 0.6037788027366092
Energy: 0.618691542066557
Energy: 0.6222490961272799
Energy: 0.6193724919751811
Energy: 0.5796734619037659
Energy: 0.6242127572967149
Energy: 0.5971456442176176
Energy: 0.6240841612153414
Energy: 0.5830223127196567
Energy: 0.5877686573789647
Energy: 0.6038533440036981
Energy: 0.580446232221776
Energy: 0.6015116699093881
Energy: 0.5919769496425047
Energy: 0.5714094095244225
Energy: 0.6005415808021997
Energy: 0.6423968324925857
Energy: 0.6030421759748096
Energy: 0.6102112556253325
Energy: 0.5914183783990238
Energy: 0.6355809629666751
Energy: 0.5964893635470698
Energy: 0.6191080276115241
Energy: 0.5768855453414345
Energy: 0.6178775520070335
Energy: 0.570275685120145
Energy: 0.6032910396243989
Energy: 0.6371460336798336
Energy: 0.5989776447672686
Energy: 0.617939839780636
Energy: 0.6053624203909035
Energy: 0.5782031701667081
Energy: 0.6090016618315295
Energy: 0.6009661788723605
Energy: 0.5558871210032735
Energy: 0.5648093403396802
Energy: 0.5942025756409017
Energy: 0.5937319569382742
Energy: 0.6110636255847073
Energy: 0.5666455899081291
Energy: 0.6440568851138191
Energy: 0.5966827308289065
Energy: 0.5653245849736469
Energy: 0.6443679989412283
Energy: 0.6162110243817546
Energy: 0.5912166283340924
Energy: 0.6226403354941429
Energy: 0.6449230319981236
Energy: 0.6367197610818418
Energy: 0.6395258000893798
Energy: 0.583191617220194
Energy: 0.5695164611983684
Energy: 0.6237818643960397
Energy: 0.5823492250134861
Energy: 0.6001047578840265
Energy: 0.5871265508112313
Energy: 0.569170459632862
Energy: 0.6314224378078516
Energy: 0.6176403553316661
Energy: 0.5713843711683037
Energy: 0.6144400761107743
Energy: 0.5962642965542191
Energy: 0.6116778986942999
Energy: 0.5979946462307183
Energy: 0.5995858291824809
Energy: 0.6179992467096145
Energy: 0.6627098186219894
Energy: 0.5902044407672971
Energy: 0.6044121942702994
Energy: 0.61211095296315
Energy: 0.6227366363239148
Energy: 0.6726507664554562
Energy: 0.6139849424915967
Energy: 0.5851464719171562
Energy: 0.5987454038596283
Energy: 0.6128621934963808
Energy: 0.6257131878823394
Energy: 0.5655898254042006
Energy: 0.601147410584797
Energy: 0.5618835060524572
Energy: 0.6245618254955781
Energy: 0.5758409713917974
Energy: 0.6284356111941133
Energy: 0.5932258365917833
Energy: 0.5734400182045634
Energy: 0.6242919517475899
Energy: 0.591259573099278
Energy: 0.5972911095908486
Energy: 0.6184069798231014
Energy: 0.622781393789746
Energy: 0.5906872785515661
Energy: 0.6223010709996493
Energy: 0.6082095619613406
Energy: 0.5663342031598475
Energy: 0.6463932016557983
Energy: 0.5917933117866915
Energy: 0.5836392692117216
Energy: 0.5769024884982804
Energy: 0.5609376011051276
Energy: 0.623948213385175
Energy: 0.6038871916035752
Energy: 0.6152533915058843
Energy: 0.6126953609389602
Energy: 0.570322155243489
Energy: 0.6596669608577946
Energy: 0.5862305181861123
Energy: 0.5728244198846134
Energy: 0.6120199702464096
Energy: 0.6556839828110897
Energy: 0.6009969931622637
Energy: 0.6146951954539184
Energy: 0.6153785690986716
Energy: 0.6026424496316545
Energy: 0.6481195080634359
Energy: 0.5793164828493599
Energy: 0.5811675582665768
Energy: 0.6024810276297399
Energy: 0.5984503018315965
Energy: 0.6157427045241425
Energy: 0.6092579048141709
Energy: 0.5762481114227676
Energy: 0.578365712157153
Energy: 0.606883626360365
Energy: 0.5783115916457108
Energy: 0.5731782054157479
Energy: 0.584467701312773
Energy: 0.5863753916369201
Energy: 0.6086714366436657
Energy: 0.6465556779312437
Energy: 0.5837809947402972
Energy: 0.5880426412731122
Energy: 0.6264260292804705
Energy: 0.631134621483468
Energy: 0.6420192697778409
Energy: 0.6033929582840657
Energy: 0.5850190338436231
Energy: 0.6229034355041335
Energy: 0.5880302163622023
Energy: 0.6042101766795123
Energy: 0.5974433226012373
Energy: 0.5759752065609528
Energy: 0.5955736259243581
Energy: 0.614678145132745
Energy: 0.5825829184223814
Energy: 0.6001642704866236
Energy: 0.6167306361153305
Energy: 0.6209757185033808
Energy: 0.602448564677523
Energy: 0.5882783267165946
Energy: 0.6084881110373584
Energy: 0.6731204416000287
Energy: 0.6024681385942794
Energy: 0.6173486137244677
Energy: 0.6396885939702546
Energy: 0.6145926239554564
Energy: 0.6146007633286963
Energy: 0.5919305785439928
Energy: 0.5614513358321405
Energy: 0.603065970719222
Energy: 0.5885853946070857
Energy: 0.6099014461031126
Energy: 0.5854714392948934
Energy: 0.5590424525122594
Energy: 0.5700692865509828
Energy: 0.6132773493554833
Energy: 0.6017949098717017
Energy: 0.5821740190522744
Energy: 0.5988315295833664
Energy: 0.5594156980750227
Energy: 0.5744228966614723
Energy: 0.5939655266737601
Energy: 0.6162312738263519
Energy: 0.6025575547231461
Energy: 0.6348222901267572
Energy: 0.6101730840256949
Energy: 0.6296078880829309
Energy: 0.5825985599482375
Energy: 0.5935123211049339
Energy: 0.6157930229373986
Energy: 0.5633860442650459
Energy: 0.6420492285877035
Energy: 0.585345611721865
Energy: 0.5918933616898704
Energy: 0.6003747274307006
Energy: 0.5999862896352002
Energy: 0.5883619886642825
Energy: 0.6109904731020874
Energy: 0.5980168955971159
Energy: 0.5729102712485317
Energy: 0.5684863593783542
Energy: 0.5891249564102397
Energy: 0.6043468364442267
Energy: 0.6758561448059183
Energy: 0.5808545765551308
Energy: 0.6160790801438887
Energy: 0.6562575481682457
Energy: 0.6288847507166757
Energy: 0.5870407703137471
Energy: 0.5990317665549373
Energy: 0.5834644561427975
Energy: 0.5841188560082632
Energy: 0.5576346754339402
Energy: 0.6355987330283668
Energy: 0.5762860144908003
Energy: 0.6053662165607024
Energy: 0.5983475782374935
Energy: 0.6075873558976704
Energy: 0.594934426317579
Energy: 0.6219361536494388
Energy: 0.6067227803857289
Energy: 0.5854775002925263
Energy: 0.6049207066240622
Energy: 0.6056923863925459
Energy: 0.6475745186950091
Energy: 0.5947674111990708
Energy: 0.644517666504138
Energy: 0.5951935983066545
Energy: 0.6134274066566359
Energy: 0.6093988398973098
Energy: 0.5869995268142432
Energy: 0.6359409241382699
Energy: 0.5938101758050119
Energy: 0.616111167166467
Energy: 0.6281228046339469
Energy: 0.583009085713553
Energy: 0.6334955975433754

minimum gb energy = 0.5558871210032735 eV
minimum distance =  2.50811394966384 Angstroms
sigma value = 39


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

Energy: 0.5360661463265429
Energy: 0.6754498423507693
Energy: 0.7094350643104257
Energy: 0.6481916909921591
Energy: 0.6438800497650193
Energy: 0.60206911093755
Energy: 0.5188463830674439
Energy: 0.5606174508532663
Energy: 0.5923164315025308
Energy: 0.602897517581093
Energy: 0.5863916144581388
Energy: 0.561117815809764
Energy: 0.560825833029625
Energy: 0.5737190336479621
Energy: 0.5597338550174698
Energy: 0.571584656964034
Energy: 0.5984719020179271
Energy: 0.5796369375734517
Energy: 0.5629812054845025
Energy: 0.5602090250765106
Energy: 0.5669387107877577
Energy: 0.5594995272285828
Energy: 0.5780015896740633
Energy: 0.6064500190486337
Energy: 0.5773472201849877
Energy: 0.5874105234839884
Energy: 0.5949682160042077
Energy: 0.6078689583803073
Energy: 0.5716903389138118
Energy: 0.5596022300367054
Energy: 0.6042534261395941
Energy: 0.5861422533343569
Energy: 0.6654103097193508
Energy: 0.578856880422484
Energy: 0.5666156398984037
Energy: 0.5185132062515028
Energy: 0.5617351739695339
Energy: 0.5782159336389231
Energy: 0.6372457900201732
Energy: 0.5974157828161332
Energy: 0.5597823499633313
Energy: 0.557967782071455
Energy: 0.5924236459981852
Energy: 0.5936702761103789
Energy: 0.5750136543549784
Energy: 0.58676258447065
Energy: 0.5187193387008004
Energy: 0.5201538811694657
Energy: 0.5724513807815014
Energy: 0.5183835728156979
Energy: 0.5923374787652791
Energy: 0.660222580851463
Energy: 0.5654348746011356
Energy: 0.6263016148970377
Energy: 0.5761943154843757
Energy: 0.5585459180401775
Energy: 0.5183845530713488
Energy: 0.5924247348584563
Energy: 0.6749894849003276
Energy: 0.5647654219559205
Energy: 0.5597448726672981
Energy: 0.5495603154318475
Energy: 0.5582904133912466
Energy: 0.5603774869321091
Energy: 0.5908288604824828
Energy: 0.6009216435428286
Energy: 0.5789054022430841
Energy: 0.5611746016986763
Energy: 0.5599356183964964
Energy: 0.5671525896530993
Energy: 0.5491360739545105
Energy: 0.5698001188277182
Energy: 0.5933767614726774
Energy: 0.5665702923304273
Energy: 0.5702935992511934
Energy: 0.5733345836833161
Energy: 0.6101096147872526
Energy: 0.5781672699658675
Energy: 0.5596341789731246
Energy: 0.5643043635802578
Energy: 0.5900078691331747
Energy: 0.5860770771015538
Energy: 0.578165221851432
Energy: 0.574385031408599
Energy: 0.518607733234161
Energy: 0.5597883699137067
Energy: 0.5998942985081612
Energy: 0.5774806072624761
Energy: 0.6072462540777124
Energy: 0.6011546290383695
Energy: 0.5587123065028162
Energy: 0.5672299163939128
Energy: 0.5649130655940501
Energy: 0.5863455666039611
Energy: 0.5790013854290201
Energy: 0.5186789731297191
Energy: 0.5195396542265288
Energy: 0.5735891513885174
Energy: 0.5306136063249914
Energy: 0.6088021003006725
Energy: 0.5762919215951615
Energy: 0.6526162751798186
Energy: 0.5187268276453276
Energy: 0.5181894638490131
Energy: 0.5748199377545777
Energy: 0.5358781136994272
Energy: 0.5604974660931209
Energy: 0.6658549969568055
Energy: 0.5801189394131949
Energy: 0.6439098539794508
Energy: 0.6042790332166281
Energy: 0.5189859345766221
Energy: 0.5599813471259678
Energy: 0.5925927448381303
Energy: 0.6038170647113019
Energy: 0.5861696728181381
Energy: 0.5620183475674034
Energy: 0.5605542726189996
Energy: 0.5722633804429104
Energy: 0.5607867937181142
Energy: 0.5715787165774433
Energy: 0.6049314699189354
Energy: 0.578799239876564
Energy: 0.5629604125259581
Energy: 0.5638740649237493
Energy: 0.5672591393825661
Energy: 0.5590048224832385
Energy: 0.5773790046593869
Energy: 0.6016236097188303
Energy: 0.5775791727789511
Energy: 0.5871616607806512
Energy: 0.6005475669057764
Energy: 0.6127548439822682
Energy: 0.5708976295819821
Energy: 0.5597735777263385
Energy: 0.6020327859165925
Energy: 0.5879835172538359
Energy: 0.6658031288584334
Energy: 0.6017349491871433
Energy: 0.5664866901780965
Energy: 0.5189103822818405
Energy: 0.5613219734919036
Energy: 0.5783179924240797
Energy: 0.6371364992497777
Energy: 0.5890076283080059
Energy: 0.5183167727853554
Energy: 0.5590140557286137
Energy: 0.5924803514342144
Energy: 0.6083023311569578
Energy: 0.5760238342528562
Energy: 0.5873449896891269
Energy: 0.52119146229221
Energy: 0.5203617884832926
Energy: 0.5726664352517115
Energy: 0.5183680895213484
Energy: 0.5924833965971922
Energy: 0.6601723512535339
Energy: 0.5651494975955539
Energy: 0.6269703135482368
Energy: 0.5829169843853481
Energy: 0.5584333531451965
Energy: 0.5184653341964102
Energy: 0.5924501661594433
Energy: 0.6748135673681919
Energy: 0.5654841412155442
Energy: 0.5593763325632851
Energy: 0.5756869660351286
Energy: 0.5582334189701447
Energy: 0.5607353411671735
Energy: 0.5935837729096445
Energy: 0.6005222941281323
Energy: 0.579525347757162
Energy: 0.5607729992824148
Energy: 0.5602353126857029
Energy: 0.5669033989067376
Energy: 0.5491534392742569
Energy: 0.5692610634692774
Energy: 0.5934890003770875
Energy: 0.5671196006406034
Energy: 0.5701769928681818
Energy: 0.579042703830661
Energy: 0.6098677035641646
Energy: 0.5782310162708657
Energy: 0.5595689300668578
Energy: 0.5660838660012143
Energy: 0.5883986076909984
Energy: 0.5858573837537076
Energy: 0.5793960192660387
Energy: 0.574310246331982
Energy: 0.5190952305457625
Energy: 0.5596408574215274
Energy: 0.600569581408304
Energy: 0.5775872334700743
Energy: 0.6038937077477879
Energy: 0.6010394474100194
Energy: 0.5587096992098808
Energy: 0.5692791084694099
Energy: 0.5649799462465616
Energy: 0.5858629791322867
Energy: 0.5795502562464397
Energy: 0.5187362562753389
Energy: 0.5189560947064706
Energy: 0.5736476715491589
Energy: 0.5289552535016628
Energy: 0.6083478430607182
Energy: 0.5761140971535268
Energy: 0.6360748975345505
Energy: 0.5188851449752978
Energy: 0.5181437835927772
Energy: 0.5746981828598503

minimum gb energy = 0.5181437835927772 eV
minimum distance =  2.5451262122787 Angstroms
sigma value = 21


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

Energy: 0.679940897558007
Energy: 0.5755788707656293
Energy: 0.5913703654970845
Energy: 0.726582390808865
Energy: 0.6089940353232969
Energy: 0.5491962116322237
Energy: 0.63140231995137
Energy: 0.5500835783986077
Energy: 0.5767448086656147
Energy: 0.6544258221771653
Energy: 0.5813322851709515
Energy: 0.5627753541558073
Energy: 0.6324393726182298
Energy: 0.7294384401767848
Energy: 0.655137886869173
Energy: 0.5539653030576246
Energy: 0.5570426800023279
Energy: 0.6184018092813341
Energy: 0.5930577365902617
Energy: 0.5309541427734185
Energy: 0.6302213766192336
Energy: 0.6006662861966354
Energy: 0.5842030813958136
Energy: 0.5814333662607477
Energy: 0.5828094757743673
Energy: 0.5833684462114818
Energy: 0.5491062929506126
Energy: 0.6038614899501065
Energy: 0.5298513835281383
Energy: 0.5622101336061125
Energy: 0.5579267316121642
Energy: 0.5552996888745122
Energy: 0.5338783850009037
Energy: 0.5541481010753477
Energy: 0.5947079506282408
Energy: 0.5168716517130783
Energy: 0.5350649610276114
Energy: 0.5559803193676099
Energy: 0.556670812295018
Energy: 0.5702528346640077
Energy: 0.532260898052217
Energy: 0.589027432330709
Energy: 0.5302563849853795
Energy: 0.5585066815628037
Energy: 0.5494403118043377
Energy: 0.5552062229624743
Energy: 0.5159231200430514
Energy: 0.5160325465758311
Energy: 0.5633093370786376
Energy: 0.5754615820385917
Energy: 0.555691243139207
Energy: 0.5512152618598707
Energy: 0.6120063148433459
Energy: 0.5359102831439915
Energy: 0.5300782529171177
Energy: 0.5821701643232511
Energy: 0.5491564241629127
Energy: 0.576598681842909
Energy: 0.576036746688877
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Energy: 0.6158825894540468
Energy: 0.6471154973736946
Energy: 0.5826428997071036
Energy: 0.612554911907575
Energy: 0.6232077072852445
Energy: 0.5576861519264151
Energy: 0.6462205819031521
Energy: 0.5412046834116244
Energy: 0.5499568788600336
Energy: 0.5312816595749675
Energy: 0.5394450688433605
Energy: 0.5732059268742152
Energy: 0.5567994494456477
Energy: 0.5591369326030816
Energy: 0.5192942010783974
Energy: 0.5155988534857857
Energy: 0.5372203990143879
Energy: 0.5625370527882642
Energy: 0.5769362572370654
Energy: 0.6203026792131235
Energy: 0.5987545748367787
Energy: 0.5191573644318004
Energy: 0.5778265800222043
Energy: 0.6336930593870507
Energy: 0.6335359128837317
Energy: 0.6049938929039644
Energy: 0.5447165930522101
Energy: 0.6479403968611587
Energy: 0.5984679959943071
Energy: 0.5486460968245095
Energy: 0.5686592268764011
Energy: 0.5156555270096923
Energy: 0.5624816043188035
Energy: 0.5511130107055415
Energy: 0.581418480990646
Energy: 0.5753779811853952
Energy: 0.6872097626403877
Energy: 0.5874901192496333
Energy: 0.5739166597208214
Energy: 0.5782655708735402
Energy: 0.5575637340085503
Energy: 0.5762135951861302
Energy: 0.6060251616582768
Energy: 0.6658707824972249
Energy: 0.6306904155239128
Energy: 0.600984255645272
Energy: 0.568807836751017
Energy: 0.5816342117977887
Energy: 0.5595659509315063
Energy: 0.5818587026887528
Energy: 0.5830098146908888
Energy: 0.5638661493627541
Energy: 0.5378436402507429
Energy: 0.5955406276605069
Energy: 0.5551044853246337
Energy: 0.5761495811643685
Energy: 0.5511854041412948
Energy: 0.550161407778691
Energy: 0.5967822620960915
Energy: 0.5159441203964434
Energy: 0.5585112851437823
Energy: 0.5742912316852756
Energy: 0.5659261423853823
Energy: 0.5627126259402407
Energy: 0.53356567364546
Energy: 0.6578000961010007
Energy: 0.5152066963795408
Energy: 0.5632793309304102
Energy: 0.5565567831564628
Energy: 0.5839362536368686
Energy: 0.5159406457829221
Energy: 0.5160566223297175
Energy: 0.5622173325168031
Energy: 0.539257746486144
Energy: 0.5569026283669275
Energy: 0.572943440769871
Energy: 0.5861689455602148
Energy: 0.5587618647049138
Energy: 0.5296816075213608
Energy: 0.5720880547110054
Energy: 0.5498380421205897
Energy: 0.5754101571162037
Energy: 0.5826715841940476
Energy: 0.6509158509230916
Energy: 0.6584123931105487
Energy: 0.602085136341438
Energy: 0.5801568679537266
Energy: 0.613208810553955
Energy: 0.6231530307468248
Energy: 0.5573427036477564
Energy: 0.5881539674235039
Energy: 0.5509482951605065
Energy: 0.6177931794930572
Energy: 0.5638312149367933
Energy: 0.5309458248363619
Energy: 0.5705644576480027
Energy: 0.6406095568045909
Energy: 0.6618679225491221
Energy: 0.552836685283105
Energy: 0.5826265086272314
Energy: 0.5866547767507112
Energy: 0.5501716173087053
Energy: 0.5776230953580013
Energy: 0.5895043863860038
Energy: 0.5587850644852279
Energy: 0.5794532666425559
Energy: 0.6375595881554877
Energy: 0.6367590952560532
Energy: 0.5156483835562924
Energy: 0.5991156301663337
Energy: 0.5567147384247145
Energy: 0.5619922339595657
Energy: 0.5527774920315474
Energy: 0.5833120756476717
Energy: 0.5873066785894

minimum gb energy = 0.5152066963795408 eV
minimum distance =  2.53214628405413 Angstroms
sigma value = 113


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

Energy: 0.6690755150626575
Energy: 0.732037135097611
Energy: 0.7235927158208852
Energy: 0.6532658355644031
Energy: 0.7066866149304013
Energy: 0.6593493713584387
Energy: 0.7021313516102242
Energy: 0.5543408266314268
Energy: 0.7401698340443023
Energy: 0.7164157856559658
Energy: 0.6995761144033718
Energy: 0.7285187140618156
Energy: 0.7128960731468527
Energy: 0.7380189869419554
Energy: 0.6814675728945324
Energy: 0.6763327651821633
Energy: 0.6535169541065124
Energy: 0.7060467165801296
Energy: 0.6772882222564682
Energy: 0.5582114633059488
Energy: 0.6458712943393049
Energy: 0.6561202873512418
Energy: 0.7521096709137979
Energy: 0.6441461712679515
Energy: 0.651750808251918
Energy: 0.6713663412912764
Energy: 0.667158452693947
Energy: 0.6796935766821619
Energy: 0.5838044082706324
Energy: 0.6396034461160388
Energy: 0.6431177382357691
Energy: 0.6972887604521893
Energy: 0.6859458760965889
Energy: 0.6499774746845859
Energy: 0.6956358921796683
Energy: 0.5971978052865252
Energy: 0.6542441564050511
Energy: 0.6010255729348598
Energy: 0.6338826716820444
Energy: 0.5903897029904274
Energy: 0.5581705850430813
Energy: 0.697368074637922
Energy: 0.6336560030080771
Energy: 0.668619350460478
Energy: 0.5807320913729227
Energy: 0.6548485993372448
Energy: 0.6509544352961502
Energy: 0.6275145625117351
Energy: 0.7204210970160583
Energy: 0.585215496410739
Energy: 0.6041480047033025
Energy: 0.6190080059788815
Energy: 0.7119763819936328
Energy: 0.6891672930308557
Energy: 0.6246076351235271
Energy: 0.633770085900364
Energy: 0.5480393557836393
Energy: 0.6422403983143298
Energy: 0.6204365949804017
Energy: 0.6056339028943468
Energy: 0.6192400846990815
Energy: 0.6312234224869319
Energy: 0.6116901294172129
Energy: 0.6091551070457247
Energy: 0.649762191406093
Energy: 0.5970107803715732
Energy: 0.6096382868358514
Energy: 0.6395943829083577
Energy: 0.6864570063703238
Energy: 0.637124147714374
Energy: 0.5208577179956094
Energy: 0.5719997210890075
Energy: 0.583211751008962
Energy: 0.5943133329481951
Energy: 0.61057774147554
Energy: 0.6070170412006914
Energy: 0.6641909218730103
Energy: 0.5616008041200762
Energy: 0.7095975343008819
Energy: 0.6301461215243451
Energy: 0.6626461600612416
Energy: 0.6168097455652748
Energy: 0.6257229342873876
Energy: 0.6984536562721029
Energy: 0.5966404150436466
Energy: 0.6104514095892773
Energy: 0.6044469942231038
Energy: 0.6650069079072457
Energy: 0.6726618358927983
Energy: 0.6057598973521708
Energy: 0.6337808015330012
Energy: 0.629812206928281
Energy: 0.6082239486981399
Energy: 0.6586374517389036
Energy: 0.6141876765607654
Energy: 0.6009730653384621
Energy: 0.6101923996431498
Energy: 0.6090104254253611
Energy: 0.5563144039587924
Energy: 0.6660234861769109
Energy: 0.6089058536516958
Energy: 0.6022530092787195
Energy: 0.5869831483212983
Energy: 0.6136181322758244
Energy: 0.6492444991371943
Energy: 0.5561221253595132
Energy: 0.6569049155432176
Energy: 0.6509330467398777
Energy: 0.6861894985652593
Energy: 0.6590754513987185
Energy: 0.6266359645759348
Energy: 0.6821748590692889
Energy: 0.6189693529029874
Energy: 0.7116656169372851
Energy: 0.613522969709335
Energy: 0.6665084102640366
Energy: 0.6695707393734589
Energy: 0.6625814831218594
Energy: 0.7309540387268719
Energy: 0.6316356916811929
Energy: 0.6755084756477755
Energy: 0.6395652657166778
Energy: 0.6347952518195746
Energy: 0.6592315544914634
Energy: 0.632364132305195
Energy: 0.6855373445919255
Energy: 0.6651669010932864
Energy: 0.7342532941384526
Energy: 0.6930338956061328
Energy: 0.7284422521516284
Energy: 0.750529104337315
Energy: 0.6423921624602449
Energy: 0.7362361620944227
Energy: 0.6486415920474579
Energy: 0.7354144079046219
Energy: 0.6782403309032986
Energy: 0.6393368550327932
Energy: 0.6817284264247142
Energy: 0.661923112086545
Energy: 0.7121256500641274
Energy: 0.6795592198417527
Energy: 0.6770748907829266
Energy: 0.6589677340536213
Energy: 0.7000587341868871
Energy: 0.6743720715558431
Energy: 0.5517662134383353
Energy: 0.6474452249061116
Energy: 0.6917132631209285
Energy: 0.7208686207582276
Energy: 0.6832035386801814
Energy: 0.7782034907704471
Energy: 0.6730180932381737
Energy: 0.5500905342424971
Energy: 0.7373833342830156
Energy: 0.5524057023444554
Energy: 0.7025037273829886
Energy: 0.6630048675726915
Energy: 0.6514110542839446
Energy: 0.7012473224470687
Energy: 0.6650103748370025
Energy: 0.7049079789307562
Energy: 0.619606965518555
Energy: 0.7400158650995126
Energy: 0.6798007694011267
Energy: 0.66046032999746
Energy: 0.7265602435868646
Energy: 0.6897886064812088
Energy: 0.7371804681959198
Energy: 0.6134393404838164
Energy: 0.6770244398518397
Energy: 0.6546637412477443
Energy: 0.7043642032766666
Energy: 0.643588303209375
Energy: 0.548087150097751
Energy: 0.6405800997136926
Energy: 0.6570046069613501
Energy: 0.7372990010647723
Energy: 0.6501364541862502
Energy: 0.6780977669601518
Energy: 0.6626475503506697
Energy: 0.6668366691425917
Energy: 0.6887517347143639
Energy: 0.5497440608107182
Energy: 0.6490621534324371
Energy: 0.6425909637815261
Energy: 0.6829708527479984
Energy: 0.6685027769611595
Energy: 0.6486865820088347
Energy: 0.6874065756241092
Energy: 0.5947096351382384
Energy: 0.6600063139922367
Energy: 0.6220594072663793
Energy: 0.6335210545646314
Energy: 0.5911314321271296
Energy: 0.6097670632282538
Energy: 0.6805434214262037
Energy: 0.6332672713585975
Energy: 0.6413703283739589
Energy: 0.5808363530293988
Energy: 0.6500150159492291
Energy: 0.6477788061281645
Energy: 0.6290047409902629
Energy: 0.6151522230161477
Energy: 0.5841974473680995
Energy: 0.5878820146852206
Energy: 0.5868617530603623
Energy: 0.7049576055989736
Energy: 0.6922653400989739
Energy: 0.5985491743944306
Energy: 0.6342700583184709
Energy: 0.5479800039855943
Energy: 0.6405878871205537
Energy: 0.6198461122412257
Energy: 0.594370245204077
Energy: 0.6369591869020897
Energy: 0.6304572299053609
Energy: 0.6076482620795502
Energy: 0.5975538492677204
Energy: 0.6831771660679153
Energy: 0.600675843805681
Energy: 0.6129076207614136
Energy: 0.5923788199498207
Energy: 0.6127249933954328
Energy: 0.6501617095297347
Energy: 0.650901561169874
Energy: 0.5726141988364759
Energy: 0.6064718778517159
Energy: 0.6064726019560552
Energy: 0.5966495772616168
Energy: 0.6069502717975027
Energy: 0.6177149797959958
Energy: 0.5600520540383119
Energy: 0.6006336144739013
Energy: 0.6304307055611473
Energy: 0.6395344110580795
Energy: 0.6267362191838189
Energy: 0.6258672276756044
Energy: 0.6364401860342126
Energy: 0.5848506296304916
Energy: 0.5769174171626159
Energy: 0.5868530466722398
Energy: 0.6647251763614137
Energy: 0.6735500160349579
Energy: 0.5936275206066522
Energy: 0.6227443795226089
Energy: 0.6294530132451251
Energy: 0.6075848593459631
Energy: 0.5789598089775919
Energy: 0.6295280522176723
Energy: 0.6181358967326643
Energy: 0.6136674484445128
Energy: 0.6881718918133696
Energy: 0.567641504257336
Energy: 0.6675990201778591
Energy: 0.5819980179620188
Energy: 0.6023764862944715
Energy: 0.5993260286548346
Energy: 0.6345283146581006
Energy: 0.6644141406196342
Energy: 0.5554416141992419
Energy: 0.6558548678160923
Energy: 0.6008957551180509
Energy: 0.658052824079059
Energy: 0.6336784674395207
Energy: 0.6377172683482882
Energy: 0.6824525512572711
Energy: 0.6086750333214276
Energy: 0.6682272579941466
Energy: 0.6137828816855931
Energy: 0.6720018272035139
Energy: 0.6547261697241059
Energy: 0.6282501822309301
Energy: 0.682069416088684
Energy: 0.6331589172161595
Energy: 0.6753129054652652
Energy: 0.6395610115145031
Energy: 0.6358396475580609
Energy: 0.6922769439868411
Energy: 0.56030165472631
Energy: 0.6838760759496237
Energy: 0.6436760036641956
Energy: 0.7313965905938157
Energy: 0.645912456177633
Energy: 0.7293049017479136
Energy: 0.751116412081399
Energy: 0.6433881603256871
Energy: 0.69460437409215
Energy: 0.632471514736487
Energy: 0.7331436596436172
Energy: 0.6780395148601359
Energy: 0.6386076698423198
Energy: 0.6742413148155645
Energy: 0.6399728932906054
Energy: 0.7100007654855018
Energy: 0.6813941480169374
Energy: 0.6779133742322462
Energy: 0.6578327045070778
Energy: 0.6173450136295667
Energy: 0.6727004152622987
Energy: 0.593073214021506
Energy: 0.6553255079830281
Energy: 0.6898795234041702
Energy: 0.7201064548662008
Energy: 0.683313270709227
Energy: 0.7062459548053952
Energy: 0.6592168287078959
Energy: 0.5501455744331177
Energy: 0.7381162184914496
Energy: 0.553207761106844
Energy: 0.6821651111103859
Energy: 0.6704968793359817
Energy: 0.7242022021371142
Energy: 0.6975208888870829
Energy: 0.6575336623715206
Energy: 0.7159434250188602

minimum gb energy = 0.5208577179956094 eV
minimum distance =  2.50597806840798 Angstroms
sigma value = 365


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

Energy: 0.6238998875755339
Energy: 0.709710416059999
Energy: 0.6164343819023498
Energy: 0.6070266724248554
Energy: 0.6075047178842458
Energy: 0.6062173095683889
Energy: 0.604797401471761
Energy: 0.6029249845528643
Energy: 0.7062125519998516
Energy: 0.6008290041720891
Energy: 0.6012315376817491
Energy: 0.6013508104365951
Energy: 0.6000540444968367
Energy: 0.741395430589809
Energy: 0.6015927504422383
Energy: 0.7222064021571408
Energy: 0.5991333263760429
Energy: 0.6002885903219514
Energy: 0.5994065608814318
Energy: 0.5990844698112996
Energy: 0.6061099508897089
Energy: 0.6023583390349266
Energy: 0.7220439425315047
Energy: 0.6003241930192462
Energy: 0.5952540294032334
Energy: 0.5996395365521922
Energy: 0.599436254464795
Energy: 0.607432946332197
Energy: 0.6098542140176654
Energy: 0.7418638459553113
Energy: 0.5978847806561048
Energy: 0.7572830675884967
Energy: 0.6000022583589726
Energy: 0.597076618179156
Energy: 0.7418975003866352
Energy: 0.6043247876071606
Energy: 0.7233063023932208
Energy: 0.6019808569519838
Energy: 0.6062091045289362
Energy: 0.6071581546102296
Energy: 0.6010723793028158
Energy: 0.6050807168826671
Energy: 0.6017656592730015
Energy: 0.7214410972779295
Energy: 0.5996776602134598
Energy: 0.6009084368618405
Energy: 0.6002746784974284
Energy: 0.5990774039011306
Energy: 0.7371099427436498
Energy: 0.6017512051635431
Energy: 0.7208631734574692
Energy: 0.5989383139674856
Energy: 0.6005508311896941
Energy: 0.5994317833628657
Energy: 0.5986845362154412
Energy: 0.7052184931776795
Energy: 0.6035048071534387
Energy: 0.7229992733892898
Energy: 0.600541586274098
Energy: 0.6063850990507863
Energy: 0.6131074257493472
Energy: 0.600336012929181
Energy: 0.6057894565503744
Energy: 0.609664822875828
Energy: 0.7570848832300011
Energy: 0.5976116800595774
Energy: 0.75724453735028
Energy: 0.7565636437649743
Energy: 0.5968284564834037
Energy: 0.7382414502869522
Energy: 0.6036249874206864
Energy: 0.722513355548546
Energy: 0.6000582360248261
Energy: 0.6061872302217832
Energy: 0.5962696815334935
Energy: 0.5999432208134929
Energy: 0.6062419890179478
Energy: 0.6013940083894965
Energy: 0.7210046293837334
Energy: 0.5988751649240358
Energy: 0.6005987072612322
Energy: 0.5992338511896705
Energy: 0.5988514802898078
Energy: 0.7070204648136926
Energy: 0.6021780303715929
Energy: 0.7056823909291117
Energy: 0.5993413160413591
Energy: 0.6011044514542054
Energy: 0.6003160638300298
Energy: 0.5992189894929923
Energy: 0.7368361535661099
Energy: 0.6028082958294193
Energy: 0.7217780877045132
Energy: 0.6001943840832094
Energy: 0.6072696903794681
Energy: 0.6080568892352313
Energy: 0.6002675632365525
Energy: 0.6047925460188909
Energy: 0.6099666421842455
Energy: 0.7059222800486395
Energy: 0.5977868592997905
Energy: 0.6182464957675045
Energy: 0.6009855980695821
Energy: 0.6005339750271711
Energy: 0.7417471265671263
Energy: 0.6020781257352718
Energy: 0.7221065543349606
Energy: 0.5997211128895922
Energy: 0.5978144983577481
Energy: 0.5997099729407671
Energy: 0.5993067418741559
Energy: 0.6075667158668528
Energy: 0.6019946600277333
Energy: 0.7222884485421148
Energy: 0.5994863695690765
Energy: 0.599880342253269
Energy: 0.5995582082605289
Energy: 0.5991750629664969
Energy: 0.605695457292784
Energy: 0.610143100370426
Energy: 0.7068094703460822
Energy: 0.6002203677221232
Energy: 0.6018338910701584
Energy: 0.6006810348211964
Energy: 0.6005984990728745
Energy: 0.741256102545926
Energy: 0.6030753525052998
Energy: 0.7104112829280276
Energy: 0.600038055173643
Energy: 0.606542119098531
Energy: 0.6069263857611019
Energy: 0.5957977729986308
Energy: 0.6048677976993801
Energy: 0.6026925803554133
Energy: 0.6952420490998403
Energy: 0.6000292275471347
Energy: 0.6008414990639784
Energy: 0.6004435717495826
Energy: 0.5996109884662016
Energy: 0.7380112794422508

minimum gb energy = 0.5952540294032334 eV
minimum distance =  2.57202302302672 Angstroms
sigma value = 23