Model name: model_name=EAM_Dynamo_Pun_2017_Au__MO_188701096956_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Au
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.077997982501984
cohesive_energy=3.9303090816171165
mass=196.9665
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=[8.55358846123482e-20, 1.5483467034508679e-19, 2.13616608434586e-19, 2.64661955993826e-19, 3.09715162941906e-19, 3.49894548569358e-19, 3.8595313589416195e-19, 4.1843085844197597e-19, 4.47726658194666e-19, 4.7414815306596e-19, 4.97943680434128e-19, 5.19310308025152e-19, 5.384162643856019e-19, 5.5540254105927e-19, 5.703925056469739e-19, 5.83490299629924e-19, 5.947904514295259e-19, 6.043762742307479e-19, 6.12323070335388e-19, 6.18699733338708e-19, 6.235671459527999e-19, 6.26981384359854e-19, 6.28993718212158e-19, 6.29655417162e-19, 6.289344376767e-19, 6.265744314948179e-19, 6.2223413499331195e-19, 6.154969822473419e-19, 6.05858287617198e-19, 5.92691600038986e-19, 5.75227874728386e-19, 5.52509010058266e-19, 5.2333497572976e-19, 4.86193317000372e-19, 4.391614219093019e-19, 3.7977193844019e-19, 3.04833330738108e-19, 2.1016391778831596e-19, 9.022321257277859e-20, -6.242608884353219e-20, -2.57915190188052e-19, -5.102788383392939e-19, -8.393290689003118e-19, -1.273591034662842e-18, -1.85703487117038e-18, -2.6714853412979397e-18, -3.878997805044719e-18, -5.792172945470459e-18, -8.98824296027268e-18, -1.4575753862515978e-17, -2.5221464572427995e-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: 0.014588007832419687
Energy: 0.016074409129331713
Energy: 0.23934906739543732
Energy: 0.5282689635086015
Energy: 0.6061419488003427
Energy: 0.19846701673912623
Energy: 0.015707515078532797
Energy: 0.01514370996594576
Energy: 0.5299499265669374
Energy: 0.15371618600772816
Energy: 0.23882783159977153
Energy: 0.5056297948800076
Energy: 0.015329141230208815
Energy: 0.06942699170595926
Energy: 0.015034286005907891
Energy: 0.538338369456636
Energy: 0.34169978159356695
Energy: 0.23778257627360846
Energy: 0.5038293132821344
Energy: 0.06825616458688248
Energy: 0.06944079412264935
Energy: 0.016454020311193553
Energy: 0.23840395993833835
Energy: 0.23898218723204478
Energy: 0.5282770469907772
Energy: 0.6060918557478053
Energy: 0.06853008969370045
Energy: 0.015293102412410687
Energy: 0.06910227498209752
Energy: 0.5307225847258946
Energy: 0.15382708923394864
Energy: 0.23846532678991242
Energy: 0.38669376468668126
Energy: 0.015156833007644685
Energy: 0.06890403163673839
Energy: 0.014850947978507847
Energy: 0.4418245350364933
Energy: 0.3424601767097406
Energy: 0.3398582505259244
Energy: 0.503044873110046
Energy: 0.06798302990196817
Energy: 0.06929734034067282

minimum gb energy = 0.014588007832419687 eV
minimum distance =  2.85726588385299 Angstroms
sigma value = 5


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

Energy: 0.7615626625832186
Energy: 0.8727147564405983
Energy: 0.7390450358154387
Energy: 0.6764798707569621
Energy: 0.7510714522155604
Energy: 0.6878828856479018
Energy: 0.6974300091872122
Energy: 0.6581661172790353
Energy: 0.6767475818888089
Energy: 0.6481178000848343
Energy: 0.6924556298762979
Energy: 0.6851555624818679
Energy: 0.6782320219120104
Energy: 0.7058977577531794
Energy: 0.6520280118614378
Energy: 0.6964396133220805
Energy: 0.7208140536222992
Energy: 0.6949218086804672
Energy: 0.6842791247536631
Energy: 0.7252478154255809
Energy: 0.7070599496245961
Energy: 0.6530637357651281
Energy: 0.708944659337456
Energy: 0.6704813762714154
Energy: 0.7289401239342321
Energy: 0.7011176215721268
Energy: 0.6590814206171032
Energy: 0.702889633638845
Energy: 0.7150113774185664
Energy: 0.7220158827713881
Energy: 0.6839748486567229
Energy: 0.6915820469597143
Energy: 0.6958709266412105
Energy: 0.6752975030858936
Energy: 0.6952755533568522
Energy: 0.6995132476269753
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Energy: 0.6562827297130599
Energy: 0.685363257290997
Energy: 0.6862818843435352
Energy: 0.6878867853142158
Energy: 0.7353113277724767
Energy: 0.6930748863316303
Energy: 0.7203763276373815
Energy: 0.7461606131781481
Energy: 0.7282344506630511
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Energy: 0.7247679882673945
Energy: 0.7199447125582258
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Energy: 0.7154785944342391
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Energy: 0.7413310001250927
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Energy: 0.7153314466669889
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Energy: 0.7018623027883758
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Energy: 0.6930599907742541
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Energy: 0.7283318749058871
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Energy: 0.695832767402523
Energy: 0.7039359123929407
Energy: 0.7084530200859916
Energy: 0.724772897169529
Energy: 0.7258674055869373
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Energy: 0.7386968322272475
Energy: 0.7390089494932602
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Energy: 0.727841751394389
Energy: 0.7417318168576449
Energy: 0.6624207368963759
Energy: 0.7077870700337402
Energy: 0.662129841356988
Energy: 0.6739112057715814
Energy: 0.6799110043848056
Energy: 0.6632931672972211
Energy: 0.7065353263483016
Energy: 0.7504338382825206
Energy: 0.7438570502579257
Energy: 0.7471111800636127
Energy: 0.7314173643523695
Energy: 0.7152933250115053
Energy: 0.7095006879554813
Energy: 0.6981042298766016
Energy: 0.647152403151632
Energy: 0.7513849514926749
Energy: 0.6468725858167472
Energy: 0.7041613960801486
Energy: 0.7163342984126746
Energy: 0.6828605135277215
Energy: 0.7153066072550194
Energy: 0.7977097800036801
Energy: 0.6984508656670225
Energy: 0.7283591849853888
Energy: 0.7243311913429046
Energy: 0.7318850438792965
Energy: 0.7153470510885829
Energy: 0.7237459886799052
Energy: 0.6708216240098479
Energy: 0.7050427365759501
Energy: 0.7046164608588186
Energy: 0.73775598117767
Energy: 0.7195827228131352
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Energy: 0.7206676258515137
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Energy: 0.7003323473095887
Energy: 0.7748391105150961
Energy: 0.7143705550378342
Energy: 0.6606523715619207
Energy: 0.7228258334765115

minimum gb energy = 0.6468725858167472 eV
minimum distance =  2.59800674957217 Angstroms
sigma value = 401


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

Energy: 0.7254943207845804
Energy: 0.6691289067884485
Energy: 0.6991883739480079
Energy: 0.6588641897623466
Energy: 0.8860484746831668
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Energy: 0.7197048693200263
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Energy: 0.6683362601717372
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Energy: 0.7243335850294204
Energy: 0.6552105724558485
Energy: 0.655409860240688
Energy: 0.6485695480398569
Energy: 0.6611717627701768
Energy: 0.7347267371431323
Energy: 0.6798981258044308
Energy: 0.7084969828269936
Energy: 0.6739381524391626
Energy: 0.6663600049381642
Energy: 0.6559823039849484
Energy: 0.6984095136254094
Energy: 0.7043142936428655
Energy: 0.695627332005256
Energy: 0.6948083808113713
Energy: 0.7713576844616532
Energy: 0.6762672826590075
Energy: 0.6938407127167874
Energy: 0.7516423411067666
Energy: 0.6951897996782301
Energy: 0.690444171354319
Energy: 0.7014176265540524
Energy: 0.6801278805819742
Energy: 0.6699157727101197
Energy: 0.7271220343252638
Energy: 0.6649057596318394
Energy: 0.6777267864152253
Energy: 0.667853056332307
Energy: 0.6807546391307998
Energy: 0.6836669954065066
Energy: 0.673859395724197
Energy: 0.660333434297076
Energy: 0.6732949195469562
Energy: 0.6767729125029106
Energy: 0.6681625103290317
Energy: 0.6962589682831171
Energy: 0.6831727693336559
Energy: 0.6691422529883598
Energy: 0.702848950496487
Energy: 0.6730427917534073
Energy: 0.6988955755273146
Energy: 0.6855966174508744
Energy: 0.6842170628316511
Energy: 0.6810031541536693
Energy: 0.6518696581653003
Energy: 0.6629765708585718
Energy: 0.7155268325298602
Energy: 0.7227204101256586
Energy: 0.7881405539987788
Energy: 0.712676051823698
Energy: 0.6575219260762308
Energy: 0.6793684806124693
Energy: 0.6861927726409592
Energy: 0.7322848138081722
Energy: 0.7179349360780465
Energy: 0.6579004340280693
Energy: 0.7077161896182244
Energy: 0.687038276697572
Energy: 0.6615949547236496
Energy: 0.6659471357016556
Energy: 0.6707739190179799
Energy: 0.7681868817356736
Energy: 0.6778874351003389
Energy: 0.7057285940099944
Energy: 0.6957616616534937
Energy: 0.6954421790907042
Energy: 0.6494299260367037
Energy: 0.7948428343693137
Energy: 0.6560639045691739
Energy: 0.7050729987778922
Energy: 0.713812479551482
Energy: 0.6589705515901083
Energy: 0.6657719716125621
Energy: 0.6495998007825496
Energy: 0.6630769634904206
Energy: 0.7543791674881102
Energy: 0.6793301332044912
Energy: 0.6975024592412147
Energy: 0.6574660619526849
Energy: 0.672951083977421
Energy: 0.6561605102319695
Energy: 0.698236665321921
Energy: 0.7523993253478385
Energy: 0.6929691237914368
Energy: 0.6913355983197755
Energy: 0.6811726086999246
Energy: 0.6726533639841172
Energy: 0.6948551840495502
Energy: 0.746033254704518
Energy: 0.6922280218990761
Energy: 0.7216420920240817
Energy: 0.6866107782668983
Energy: 0.6816787286908723
Energy: 0.662562760224771
Energy: 0.685879781529349
Energy: 0.6872543198786931
Energy: 0.6829721501364081
Energy: 0.6637973814271811
Energy: 0.6718590592745666
Energy: 0.668565440008346
Energy: 0.6946796025800633
Energy: 0.6648018429713475
Energy: 0.6898830422019407
Energy: 0.6947107688052248

minimum gb energy = 0.6468129129556527 eV
minimum distance =  2.59428547343403 Angstroms
sigma value = 311


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

Energy: 0.7253652969808565
Energy: 0.6615527316053381
Energy: 0.7138481000553079
Energy: 0.6671947285480977
Energy: 0.6849035335955694
Energy: 0.693446359847991
Energy: 0.668785583113297
Energy: 0.6759231646208745
Energy: 0.6851220299737176
Energy: 0.6907290642802066
Energy: 0.7002085987915343
Energy: 0.6755327742340462
Energy: 0.6812956823661624
Energy: 0.7114874830921297
Energy: 0.6828454882398916
Energy: 0.6545812445589673
Energy: 0.7133696161792782
Energy: 0.6575341460432532
Energy: 0.675426087816119
Energy: 0.6776798704755903
Energy: 0.6681584160537513
Energy: 0.6706614326872349
Energy: 0.718793626309475
Energy: 0.6676651031903281
Energy: 0.7292056980989735
Energy: 0.7034069929051123
Energy: 0.6778588391589295
Energy: 0.6940734750436408
Energy: 0.6923249036621896
Energy: 0.6724990673234094
Energy: 0.6796739242889371
Energy: 0.6675031163829434
Energy: 0.6818050858532045
Energy: 0.6639424454551875
Energy: 0.6858320285125965
Energy: 0.6592785575649915
Energy: 0.6759433453119165
Energy: 0.6708397929850213
Energy: 0.6764201797843207
Energy: 0.6832628714534706
Energy: 0.6750339974989622
Energy: 0.6671017333407754
Energy: 0.7024192989761288
Energy: 0.6707908087769088
Energy: 0.7019302597530304
Energy: 0.6612304200256833
Energy: 0.7233058817085357
Energy: 0.6579270570404905
Energy: 0.7178135023929717
Energy: 0.6631545159454678
Energy: 0.6951883486585841
Energy: 0.6876118537037428
Energy: 0.6926029592931185
Energy: 0.718089274063183
Energy: 0.6921987657958908
Energy: 0.671778927174171
Energy: 0.6991272965265625
Energy: 0.660853084837806
Energy: 0.6992256773627534
Energy: 0.6529616972462261
Energy: 0.7128258594125435
Energy: 0.6577145162157874
Energy: 0.6680343179630103
Energy: 0.6801081393438568
Energy: 0.7126983469971266
Energy: 0.6566441746609053
Energy: 0.7278733754714474
Energy: 0.6846123778244145
Energy: 0.6645430047349138
Energy: 0.6968977973741566
Energy: 0.6887018164607183
Energy: 0.7050095628708392
Energy: 0.677705011682698
Energy: 0.7232531704621993
Energy: 0.679073673991426
Energy: 0.6670761353573509
Energy: 0.667339616966763
Energy: 0.6609696587836303
Energy: 0.698783505352139
Energy: 0.6658369680098594
Energy: 0.6823114805348539
Energy: 0.6651358984363178
Energy: 0.6668170986069434
Energy: 0.678928245242227
Energy: 0.7033891794066001
Energy: 0.6594466331452374
Energy: 0.6843632248742663
Energy: 0.6631533204751955
Energy: 0.7528655220124421
Energy: 0.683810973316199
Energy: 0.7036592293712213
Energy: 0.7198365923578351
Energy: 0.672866262939782
Energy: 0.6825640594777034
Energy: 0.710326038251523
Energy: 0.7291951414892627
Energy: 0.725582825083301
Energy: 0.7501148442511544
Energy: 0.6880249840136141
Energy: 0.6695469565244818
Energy: 0.6826920506726769
Energy: 0.6617869345150459
Energy: 0.7210620912100485
Energy: 0.6653673188780507
Energy: 0.7082913214601577
Energy: 0.6566006778527388
Energy: 0.7101329178280766
Energy: 0.6694826941497908
Energy: 0.7218647304706912
Energy: 0.6881132040329152
Energy: 0.6508475490505867
Energy: 0.6790500668167286
Energy: 0.6910763674194024
Energy: 0.6812123366310585
Energy: 0.6850478541012759
Energy: 0.7093762298182232
Energy: 0.6755468082924858
Energy: 0.7347012701502643
Energy: 0.6775685014498621
Energy: 0.6624062090097735
Energy: 0.6902598015429476
Energy: 0.665965239519667
Energy: 0.6745596909117797
Energy: 0.6681298476732979
Energy: 0.6627752877691082
Energy: 0.6818021618670196
Energy: 0.7134141647142603
Energy: 0.6411604877696678
Energy: 0.6904816554452391
Energy: 0.6541005403987181
Energy: 0.7244299503008487
Energy: 0.6598653339969934
Energy: 0.6763495821574239
Energy: 0.7126558353772681
Energy: 0.7309581052984404
Energy: 0.7270960056599655
Energy: 0.6974733013369918
Energy: 0.7138082976068916
Energy: 0.7101844558504518
Energy: 0.747254192246489
Energy: 0.6848206062531066
Energy: 0.6566453306184672
Energy: 0.6729149032207741
Energy: 0.6532335589427622
Energy: 0.7169247505576173
Energy: 0.6655932231623818
Energy: 0.6604256246756253
Energy: 0.6559706391785558
Energy: 0.7033153128971482
Energy: 0.6645844227744643
Energy: 0.6986825725864837
Energy: 0.6919383729105012
Energy: 0.6527656628779014
Energy: 0.6844361338153824
Energy: 0.682175533692939
Energy: 0.6857524338271086
Energy: 0.6723924439361958
Energy: 0.7160196015492897
Energy: 0.6818445928163515
Energy: 0.7325316606386263
Energy: 0.6639996456147518
Energy: 0.683648673333783
Energy: 0.7065882457970899
Energy: 0.6679369013969297
Energy: 0.6937679621674321
Energy: 0.6673604459693209
Energy: 0.6623416461507405
Energy: 0.6767370064659711
Energy: 0.7115347868954703
Energy: 0.6706836431011867
Energy: 0.6915128722503934
Energy: 0.6613647138066472
Energy: 0.6944279044736231
Energy: 0.6583651178589586
Energy: 0.6805224191905352
Energy: 0.7087768602999867
Energy: 0.7496029353270309
Energy: 0.6902874282155057
Energy: 0.7063589750753697
Energy: 0.7389065388008181
Energy: 0.7003463363135021
Energy: 0.7217465444583386
Energy: 0.6756753559242544
Energy: 0.6789992354388652
Energy: 0.6692966937158642
Energy: 0.6716642208936476
Energy: 0.7089119896256723
Energy: 0.6651967613550128
Energy: 0.6850253320219014
Energy: 0.6599700386541638
Energy: 0.7094096169702443
Energy: 0.6978706219700008
Energy: 0.6641416706155848
Energy: 0.7002917573704176
Energy: 0.6486604292668132
Energy: 0.6802775277425533
Energy: 0.6840660168408133
Energy: 0.665456149469487
Energy: 0.6753682370294313
Energy: 0.7620683505382737
Energy: 0.6735027271278337
Energy: 0.716118202929999
Energy: 0.6770408971628589
Energy: 0.6783714950991157
Energy: 0.6981788298534124
Energy: 0.6832779737971335
Energy: 0.7227756555441174
Energy: 0.6861959974952023
Energy: 0.6550750633262677
Energy: 0.7070361928947321
Energy: 0.7118278369602805
Energy: 0.6714466276974619
Energy: 0.7001277032314572
Energy: 0.6630929499040888
Energy: 0.7135536297390427
Energy: 0.6612750557439114
Energy: 0.6920821070936672
Energy: 0.7097219055640787
Energy: 0.6861242659820902
Energy: 0.6728906029505791
Energy: 0.7292430010044234
Energy: 0.7300838271629602
Energy: 0.7062836156322962
Energy: 0.675724830481455
Energy: 0.681626801487758
Energy: 0.6712615619105049
Energy: 0.6814053730443033
Energy: 0.6616404937176553
Energy: 0.7385432437064346
Energy: 0.6781845917228324
Energy: 0.6655881666293587
Energy: 0.6552707498924788
Energy: 0.6883895318924397
Energy: 0.6881687145222702
Energy: 0.6933970567520837
Energy: 0.6726822794660452
Energy: 0.6652319866333969
Energy: 0.6702167189490493
Energy: 0.6747265243887743
Energy: 0.6607789710044033
Energy: 0.6825161491817995
Energy: 0.7518750285458728
Energy: 0.6724472860869564
Energy: 0.6928719290705847
Energy: 0.6901418979905116
Energy: 0.6803124445304782
Energy: 0.7354232113522029
Energy: 0.7009571174972354
Energy: 0.7064426562374008
Energy: 0.7081945152756676
Energy: 0.6570355566938856
Energy: 0.684283117529998

minimum gb energy = 0.6411604877696678 eV
minimum distance =  2.61507708370935 Angstroms
sigma value = 39


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

Energy: 0.6236149020767964
Energy: 0.6124989858651853
Energy: 0.6772651419960619
Energy: 0.7513433387242938
Energy: 0.6973575367508217
Energy: 0.6959188197333844
Energy: 0.6124027488647952
Energy: 0.6130306258264786
Energy: 0.6515368629526243
Energy: 0.6954785033524747
Energy: 0.674560690216759
Energy: 0.6514604908918302
Energy: 0.656041365382438
Energy: 0.6627336287215013
Energy: 0.6581301034217117
Energy: 0.6464626066203586
Energy: 0.6947719298682674
Energy: 0.6706551415791446
Energy: 0.6503542548297574
Energy: 0.655154106390546
Energy: 0.6634238446783866
Energy: 0.6528172070731655
Energy: 0.6552094382562919
Energy: 0.7010103844602439
Energy: 0.6551033578289027
Energy: 0.676499943396831
Energy: 0.6554014278861647
Energy: 0.6980005654469353
Energy: 0.6587073663314477
Energy: 0.649057259732645
Energy: 0.6668390233789735
Energy: 0.6618838725450173
Energy: 0.6968909651236426
Energy: 0.6557789182729853
Energy: 0.6648679944681639
Energy: 0.6100381039048944
Energy: 0.6509277176772685
Energy: 0.6558182794186097
Energy: 0.6453591554497305
Energy: 0.6891794580638751
Energy: 0.6539809679796165
Energy: 0.6545975177118638
Energy: 0.6672374393529538
Energy: 0.6852408578474338
Energy: 0.6525009856828998
Energy: 0.6763115714444706
Energy: 0.6150609303337427
Energy: 0.6126043620936479
Energy: 0.6465750336604508
Energy: 0.6107713906010083
Energy: 0.6948284365133407
Energy: 0.6759155671950282
Energy: 0.6459313252532707
Energy: 0.7207262376835027
Energy: 0.6622902772010457
Energy: 0.6537156732477127
Energy: 0.611049722360553
Energy: 0.6917978451243636
Energy: 0.6684816397477167
Energy: 0.6462855292736795
Energy: 0.6490705970792007
Energy: 0.6558323631978478
Energy: 0.6540340317047038
Energy: 0.666445559137168
Energy: 0.6690454821235399
Energy: 0.6556149756343699
Energy: 0.6670787593540426
Energy: 0.6520455289353614
Energy: 0.6544912765337827
Energy: 0.6533586383655097
Energy: 0.6542800395280199
Energy: 0.6437449429103399
Energy: 0.7044358681553966
Energy: 0.6427616378199089
Energy: 0.6490066443286472
Energy: 0.6705614552534254
Energy: 0.7014444732266489
Energy: 0.6704295370966585
Energy: 0.650485973271773
Energy: 0.6415745195969607
Energy: 0.6438945841834988
Energy: 0.6746765179482865
Energy: 0.6583198734044379
Energy: 0.6702275931881643
Energy: 0.6110481327694821
Energy: 0.6500186364599891
Energy: 0.687447746700164
Energy: 0.6555580563331606
Energy: 0.7111576159895947
Energy: 0.6568918916884476
Energy: 0.6534726474146455
Energy: 0.6679467695736135
Energy: 0.6478531613481082
Energy: 0.6561194092898944
Energy: 0.6692107346620009
Energy: 0.6120128243868845
Energy: 0.6129841337365888
Energy: 0.6646041218122306
Energy: 0.6120446259445192
Energy: 0.6837377351184536
Energy: 0.654932663720243
Energy: 0.6671890369870783
Energy: 0.6102912190295797
Energy: 0.6111417398823313
Energy: 0.6633477508970069
Energy: 0.6122430604680644
Energy: 0.6606473046641484
Energy: 0.6828514524753492
Energy: 0.6565966669855047
Energy: 0.6943578464038418
Energy: 0.6959809254710919
Energy: 0.612139646952962
Energy: 0.6548037517226032
Energy: 0.6513758157159201
Energy: 0.6955037562643288
Energy: 0.67439845813975
Energy: 0.6509638407968553
Energy: 0.6557132062342877
Energy: 0.6672188474347154
Energy: 0.6578945090139016
Energy: 0.6467322208065709
Energy: 0.6951253119254326
Energy: 0.6706845019398116
Energy: 0.6504454099837585
Energy: 0.6552829685782504
Energy: 0.6636210775307649
Energy: 0.6528077047367975
Energy: 0.6448980352966195
Energy: 0.6997563532934691
Energy: 0.6554805743113742
Energy: 0.6767304752174975
Energy: 0.6561742384717534
Energy: 0.6980812076703095
Energy: 0.6583658749197744
Energy: 0.6491363402553104
Energy: 0.6668122895546897
Energy: 0.6601746272657149
Energy: 0.6800561641000158
Energy: 0.6563061797565897
Energy: 0.6648713661015051
Energy: 0.6100942098068137
Energy: 0.651430190860456
Energy: 0.655753663627769
Energy: 0.6448142896301845
Energy: 0.68914332751653
Energy: 0.6103249282400873
Energy: 0.6726118359937241
Energy: 0.6670471515242807
Energy: 0.6862513060299117
Energy: 0.6522225345958986
Energy: 0.6763642945059382
Energy: 0.6111494192035951
Energy: 0.6130326702434558
Energy: 0.6488493137275656
Energy: 0.6157560333061077
Energy: 0.6945505142460331
Energy: 0.6757799745097078
Energy: 0.645559611258871
Energy: 0.7200027924747705
Energy: 0.656523168041826
Energy: 0.6536266387826808
Energy: 0.6113056240434905
Energy: 0.688609768555181
Energy: 0.667690097317509
Energy: 0.6460696825097352
Energy: 0.6487951893812797
Energy: 0.6572541419667459
Energy: 0.6748490111694588
Energy: 0.6672542778375945
Energy: 0.685262900754491
Energy: 0.6556614472386034
Energy: 0.6673987102734537
Energy: 0.6516826794693414
Energy: 0.6560176920078096
Energy: 0.6531109922459134
Energy: 0.6547051409885285
Energy: 0.6429666280750933
Energy: 0.7037787281768422
Energy: 0.6428894550313595
Energy: 0.6489096599579278
Energy: 0.654646953256814
Energy: 0.7014515507334281
Energy: 0.6705701533842756
Energy: 0.6526342175791995
Energy: 0.6412278418528637
Energy: 0.6457152771564416
Energy: 0.6746361805933386
Energy: 0.6580901302353708
Energy: 0.670194136873072
Energy: 0.6115607089105409
Energy: 0.6498889004108978
Energy: 0.6873219048403627
Energy: 0.6556317848290061
Energy: 0.7104237381549537
Energy: 0.657144185628501
Energy: 0.6537089425750401
Energy: 0.6684653092801924
Energy: 0.6479795234652039
Energy: 0.6553100804912757
Energy: 0.6697335348083978
Energy: 0.612038409738141
Energy: 0.6131614043651328
Energy: 0.6645201713290495
Energy: 0.6132605334682965
Energy: 0.6836309623856841
Energy: 0.6516025450843764
Energy: 0.649453155201603
Energy: 0.6099760842365742
Energy: 0.6108211503016197
Energy: 0.6633665375825065

minimum gb energy = 0.6099760842365742 eV
minimum distance =  2.65869313351838 Angstroms
sigma value = 21


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

Energy: 0.7974958087823638
Energy: 0.7392893868678747
Energy: 0.6778740304067701
Energy: 0.8662913853334944
Energy: 0.7096212568792319
Energy: 0.6763582086438533
Energy: 0.7833827181367771
Energy: 0.6607251752453901
Energy: 0.6952746193940862
Energy: 0.7438232731078254
Energy: 0.634181969834023
Energy: 0.6526362438804619
Energy: 0.6272714224603082
Energy: 0.7717993798777959
Energy: 0.6441631953549807
Energy: 0.6198591237055756
Energy: 0.6624394096300261
Energy: 0.669501957382269
Energy: 0.6771482059702968
Energy: 0.6440480168926443
Energy: 0.6707450560363887
Energy: 0.7175780514815822
Energy: 0.6614672631591877
Energy: 0.6784050312893599
Energy: 0.649832085123439
Energy: 0.6140729444147722
Energy: 0.6433881556675639
Energy: 0.7291035328510989
Energy: 0.6256337960410353
Energy: 0.6338968018203788
Energy: 0.6505471209906797
Energy: 0.6201354454447628
Energy: 0.6204684617106649
Energy: 0.6486024729725691
Energy: 0.6573236984878679
Energy: 0.6106333008166986
Energy: 0.6142164119922615
Energy: 0.6243346399684903
Energy: 0.6275984450227102
Energy: 0.6400788132288425
Energy: 0.6431179743269901
Energy: 0.6546855665376505
Energy: 0.6257290622533929
Energy: 0.6304334870583204
Energy: 0.644536694267697
Energy: 0.6067785132918317
Energy: 0.6079863828259039
Energy: 0.614371026792627
Energy: 0.6532897639225095
Energy: 0.6762741503832757
Energy: 0.620441312449989
Energy: 0.6646831735167739
Energy: 0.7247022379476519
Energy: 0.6513643350174722
Energy: 0.6255304059360188
Energy: 0.6464485446305095
Energy: 0.6440211902868039
Energy: 0.6603974610678388
Energy: 0.6529902483905523
Energy: 0.659082638182266
Energy: 0.6618706619870165
Energy: 0.7069428662383166
Energy: 0.6549117441449875
Energy: 0.7191276023673525
Energy: 0.6639679279651837
Energy: 0.6564963392033218
Energy: 0.7351768365740613
Energy: 0.6354847413661989
Energy: 0.6436474517877406
Energy: 0.6443805051855781
Energy: 0.6363469635698157
Energy: 0.6515084329233819
Energy: 0.6487155018216709
Energy: 0.6511713388125827
Energy: 0.641505336362993
Energy: 0.6130210512055984
Energy: 0.6256410647505931
Energy: 0.6429785861015872
Energy: 0.662174312287748
Energy: 0.6594485374759671
Energy: 0.7606199073085461
Energy: 0.6427896306421126
Energy: 0.7818451077887331
Energy: 0.7293705806428995
Energy: 0.7821897074952291
Energy: 0.6654098934394537
Energy: 0.6783307552759081
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Energy: 0.7001409118225153
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Energy: 0.6632724371467409
Energy: 0.6111507415739393
Energy: 0.6638772749156493
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Energy: 0.6747831928453598
Energy: 0.6201381106976881
Energy: 0.7411954453953951
Energy: 0.6893654514003025
Energy: 0.7812617592965729
Energy: 0.623588684692712
Energy: 0.726368116445479
Energy: 0.6489549913077137
Energy: 0.7990898217525225
Energy: 0.7983995633189371
Energy: 0.7363883922795041
Energy: 0.6290096954621563
Energy: 0.6425456509646238
Energy: 0.678790133788991
Energy: 0.6512243382663352
Energy: 0.668596695358348
Energy: 0.6644668707465312
Energy: 0.6537768961562512
Energy: 0.6336190795954612
Energy: 0.6705463788576291
Energy: 0.6484928840574863
Energy: 0.6222147617505446
Energy: 0.5850127116544258
Energy: 0.6365671022579739
Energy: 0.655676072461086
Energy: 0.6090802622664104
Energy: 0.6141128766637248
Energy: 0.6420250396068085
Energy: 0.689460765730676
Energy: 0.6394033241724488
Energy: 0.6421426919048253
Energy: 0.6601031357547278
Energy: 0.6091408787638513
Energy: 0.6279790229704797
Energy: 0.6584433857352967
Energy: 0.6935303899490699
Energy: 0.6082441382925674
Energy: 0.6097091834307755
Energy: 0.643924162311514
Energy: 0.6324777434388026
Energy: 0.6217478758278324
Energy: 0.6637388575800893
Energy: 0.6632017590966234
Energy: 0.6497118877327736
Energy: 0.624945146054301
Energy: 0.6462432027516927
Energy: 0.6447266941157682
Energy: 0.6294035740239398
Energy: 0.7119712570919265
Energy: 0.7464270625642176
Energy: 0.6316753159974454
Energy: 0.7310467837025083
Energy: 0.6536855261942299
Energy: 0.7187925168673085
Energy: 0.6781537464834279
Energy: 0.6546938683764064
Energy: 0.6581003712776325
Energy: 0.5875192827327258
Energy: 0.6376395525032758
Energy: 0.6307380541513821
Energy: 0.7178949310934025
Energy: 0.6621991425284026
Energy: 0.6612451467066709
Energy: 0.7782641835820363
Energy: 0.6952273458806877
Energy: 0.6586727513698919
Energy: 0.6604990451629141
Energy: 0.7820686796531786
Energy: 0.6235316433676353
Energy: 0.7048985559753969
Energy: 0.7420746672918512
Energy: 0.7773208563293922
Energy: 0.7763591641376884
Energy: 0.7419532250583432
Energy: 0.6109907442299114
Energy: 0.6639435717138314
Energy: 0.7577351503879863
Energy: 0.6495035458945904
Energy: 0.6428243840431663
Energy: 0.6638201052656804
Energy: 0.6561419958217392

minimum gb energy = 0.5850127116544258 eV
minimum distance =  2.63036549129297 Angstroms
sigma value = 113


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

Energy: 0.7632428313701408
Energy: 0.6849965584294396
Energy: 0.8374590049464883
Energy: 0.7446205153582783
Energy: 0.8275912822183641
Energy: 0.772325312334221
Energy: 0.6840274959969108
Energy: 0.8530258645235937
Energy: 0.8355576498597233
Energy: 0.8419606948029261
Energy: 0.8240179062571981
Energy: 0.8259543839293855
Energy: 0.7800485416681228
Energy: 0.7070203976198006
Energy: 0.8151799361004775
Energy: 0.7779396544714283
Energy: 0.7240858655690214
Energy: 0.8096419117431679
Energy: 0.7519277223451912
Energy: 0.7800714001001923
Energy: 0.7451914124994043
Energy: 0.7530928345639244
Energy: 0.7363929325127995
Energy: 0.777851982549903
Energy: 0.7995428067447754
Energy: 0.7992613461443032
Energy: 0.7791533188618103
Energy: 0.858849795257706
Energy: 0.678922498731636
Energy: 0.7985156755376266
Energy: 0.6963833185189333
Energy: 0.7591599889606238
Energy: 0.7552192763039953
Energy: 0.7373511986221892
Energy: 0.7788856323039239
Energy: 0.688990361387281
Energy: 0.7370250988654303
Energy: 0.6805686624095528
Energy: 0.7267890176182425
Energy: 0.6940162114236267
Energy: 0.7257036354956993
Energy: 0.7611975407973796
Energy: 0.701028640252265
Energy: 0.7521829655651434
Energy: 0.6945575747083864
Energy: 0.6737333420194819
Energy: 0.7170978000148965
Energy: 0.7450290045118427
Energy: 0.7649117490709172
Energy: 0.6991583483494523
Energy: 0.702706741359147
Energy: 0.6507839957156798
Energy: 0.8372073416518871
Energy: 0.7159477712882976
Energy: 0.7230322748597294
Energy: 0.70156611842472
Energy: 0.6255904209934503
Energy: 0.6894045682526503
Energy: 0.756007810915409
Energy: 0.6348422305117387
Energy: 0.7035043574795609
Energy: 0.8018170860298232
Energy: 0.7137971084707052
Energy: 0.7565395367559343
Energy: 0.6950661537086564
Energy: 0.6824844731700549
Energy: 0.677231250171169
Energy: 0.6780024263311658
Energy: 0.7333096947025446
Energy: 0.6842368581783427
Energy: 0.6772572571234019
Energy: 0.6732492363322247
Energy: 0.6455456567748541
Energy: 0.6992065603322235
Energy: 0.6869726090031499
Energy: 0.7004443265929586
Energy: 0.7559356337383076
Energy: 0.642270203478566
Energy: 0.6568392782335405
Energy: 0.798098358098394
Energy: 0.7360628665204085
Energy: 0.6637851328548284
Energy: 0.7554136649881438
Energy: 0.6895297378743956
Energy: 0.7133456289987663
Energy: 0.675739112625694
Energy: 0.6517019548621049
Energy: 0.7829862752360476
Energy: 0.6761167925461445
Energy: 0.7249100877161436
Energy: 0.6969930249274922
Energy: 0.7819307008452413
Energy: 0.7049655379843277
Energy: 0.6642349562958214
Energy: 0.7112599482338198
Energy: 0.7047290625927195
Energy: 0.7116257976755093
Energy: 0.6721751857116806
Energy: 0.6556965945357708
Energy: 0.7599167411285859
Energy: 0.6747580139065429
Energy: 0.688118171654598
Energy: 0.6847123179263079
Energy: 0.698530877408326
Energy: 0.7239711490598942
Energy: 0.6241723732205069
Energy: 0.7548965762848219
Energy: 0.749287222244588
Energy: 0.7474718562599176
Energy: 0.7197352111866917
Energy: 0.7176402837873479
Energy: 0.7742815569599166
Energy: 0.7116874671938233
Energy: 0.8086172276952454
Energy: 0.7452246083408541
Energy: 0.7669461475706428
Energy: 0.7594965308398638
Energy: 0.7781766176239071
Energy: 0.7831783845427456
Energy: 0.728932353343079
Energy: 0.7764524236889142
Energy: 0.748170855759817
Energy: 0.791298612707626
Energy: 0.7533275757742616
Energy: 0.7867721717523889
Energy: 0.7769060866631865
Energy: 0.7780499761449226
Energy: 0.8331992174334774
Energy: 0.7122028867981529
Energy: 0.8020338855505851
Energy: 0.7999174984309211
Energy: 0.8096038691304152
Energy: 0.8482146478795858
Energy: 0.7818973596031881
Energy: 0.7816230257120765
Energy: 0.7911156454615514
Energy: 0.8479442098952076
Energy: 0.7963701832842532
Energy: 0.7733580126464409
Energy: 0.710906312324569
Energy: 0.8140981903161277
Energy: 0.7772559165706793
Energy: 0.6882331954776414
Energy: 0.7890971168703949
Energy: 0.6448301657261591
Energy: 0.6270594379943337
Energy: 0.6808905804750693
Energy: 0.7366231786151959
Energy: 0.8297508012574754
Energy: 0.7753047312503304
Energy: 0.7712841700013624
Energy: 0.7248871881718569
Energy: 0.6270149747443612
Energy: 0.7201353584029034
Energy: 0.7614696533975513
Energy: 0.700269554144607
Energy: 0.8365968931704768
Energy: 0.8500179352232423
Energy: 0.82723645575785
Energy: 0.7721354143700286
Energy: 0.7206854446484178
Energy: 0.7343297569788302
Energy: 0.8360162397506784
Energy: 0.8561801004867968
Energy: 0.7905415463988485
Energy: 0.8281500369229369
Energy: 0.821126611917455
Energy: 0.7064572925650708
Energy: 0.7309025759868071
Energy: 0.7680116437004629
Energy: 0.7246841044962399
Energy: 0.8113105835234315
Energy: 0.7920689995958489
Energy: 0.6363608426142594
Energy: 0.7450639481558422
Energy: 0.754675149014816
Energy: 0.8337782520746498
Energy: 0.7765813214809149
Energy: 0.8035956330313229
Energy: 0.8024685812062415
Energy: 0.7739048915583704
Energy: 0.9442443641499633
Energy: 0.6895167150305519
Energy: 0.8242692145715591
Energy: 0.6895791614231234
Energy: 0.75346044274453
Energy: 0.753828780882377
Energy: 0.7122523247328107
Energy: 0.779324282934894
Energy: 0.6886122297544869
Energy: 0.7341709938117086
Energy: 0.6841167224189153
Energy: 0.708966652527598
Energy: 0.7053987180820271
Energy: 0.7251940679877175
Energy: 0.7122370445738662
Energy: 0.6751496661444703
Energy: 0.7539521727010492
Energy: 0.7095477257171081
Energy: 0.7540740577704356
Energy: 0.7477185503540242
Energy: 0.7363596936076807
Energy: 0.7679342578071953
Energy: 0.6971721547695854
Energy: 0.7016391745553817
Energy: 0.6534523953565133
Energy: 0.7349223273899615
Energy: 0.6755623896858101
Energy: 0.6593727982293281
Energy: 0.7083871151915675
Energy: 0.626812883280491
Energy: 0.7050397962513015
Energy: 0.7307814203997951
Energy: 0.6348531744176338
Energy: 0.6478882670597089
Energy: 0.7986255393323775
Energy: 0.7129506573970437
Energy: 0.6926156702053412
Energy: 0.7162173196069002
Energy: 0.7209837386619711
Energy: 0.6814159747490814
Energy: 0.6832171243868024
Energy: 0.7105344768769472
Energy: 0.6752314906605615
Energy: 0.7562926360071935
Energy: 0.674468170259066
Energy: 0.6764366289282503
Energy: 0.6957786321928499
Energy: 0.6870811962478178
Energy: 0.751961950975097
Energy: 0.7542082903153262
Energy: 0.6371945085854103
Energy: 0.6452643203839578
Energy: 0.7861157320840363
Energy: 0.6999265638298832
Energy: 0.7441208251718953
Energy: 0.7559713229081116
Energy: 0.690785062379016
Energy: 0.7158111019395591
Energy: 0.6759456621424964
Energy: 0.6519680530178709
Energy: 0.7754156433869861
Energy: 0.6822351809255316
Energy: 0.7039822490298365
Energy: 0.6987419769822428
Energy: 0.7823580915276058
Energy: 0.6998944437573378
Energy: 0.6649394591445484
Energy: 0.7109395240308239
Energy: 0.7074731394959825
Energy: 0.711058685847919
Energy: 0.6810456670454231
Energy: 0.6545815476680953
Energy: 0.7275494018590697
Energy: 0.6740824231941239
Energy: 0.6724734888267124
Energy: 0.6551239761749323
Energy: 0.7001844098450439
Energy: 0.7273528066795116
Energy: 0.6244636024637331
Energy: 0.7574960247308334
Energy: 0.6820601154416984
Energy: 0.734800060827207
Energy: 0.7492861855877618
Energy: 0.6696922808221824
Energy: 0.7716951037063695
Energy: 0.7103044569525446
Energy: 0.7750760382191404
Energy: 0.743312611073859
Energy: 0.764146405358871
Energy: 0.7856744116660809
Energy: 0.7340417688039306
Energy: 0.7497915185351143
Energy: 0.730271341665198
Energy: 0.7746899090875365
Energy: 0.7495716988666365
Energy: 0.7543760909434196
Energy: 0.7693646083099702
Energy: 0.7808232132703959
Energy: 0.7834411284116163
Energy: 0.8215083509429502
Energy: 0.8312243298529938
Energy: 0.7388082947819654
Energy: 0.8071915987469376
Energy: 0.8304196105870244
Energy: 0.8754865698281731
Energy: 0.8441019393083117
Energy: 0.7814544168654407
Energy: 0.7692159132316958
Energy: 0.7908776553328813
Energy: 0.849497591706102
Energy: 0.8026602945731837
Energy: 0.7736986494553307
Energy: 0.7036863269585686
Energy: 0.8142650253346855
Energy: 0.7732042750793744
Energy: 0.6879944430024445
Energy: 0.7534326674054482
Energy: 0.6783724102476794
Energy: 0.6191750613960258
Energy: 0.6942757274586129
Energy: 0.8210573265037134
Energy: 0.8295638337793649
Energy: 0.7761518283338039
Energy: 0.8609492255646614
Energy: 0.6902860871563913
Energy: 0.6270242024395472
Energy: 0.8218899860301633
Energy: 0.6393961013116141
Energy: 0.743610447248104
Energy: 0.7782694413441641
Energy: 0.6958148094685449
Energy: 0.8278893751108022
Energy: 0.7723530579933878
Energy: 0.7189356526615901

minimum gb energy = 0.6191750613960258 eV
minimum distance =  2.5928900647878 Angstroms
sigma value = 365


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

Energy: 0.7019629946241233
Energy: 0.6689973309260772
Energy: 0.6696537474931546
Energy: 0.672764414054862
Energy: 0.6743520324765547
Energy: 0.6699836933075222
Energy: 0.6690854809134189
Energy: 0.6993454269317952
Energy: 0.820577815844299
Energy: 0.659015168284319
Energy: 0.6581794756088214
Energy: 0.6578877854604268
Energy: 0.657942656731893
Energy: 0.7960439906264568
Energy: 0.674014275979174
Energy: 0.8202732534234072
Energy: 0.6707618330406828
Energy: 0.6693426734732565
Energy: 0.6574497282694007
Energy: 0.6576609947977106
Energy: 0.6695028295063614
Energy: 0.674620941982006
Energy: 0.8350884393625964
Energy: 0.6710041461369611
Energy: 0.6700127960349529
Energy: 0.6695075349014894
Energy: 0.657437093669099
Energy: 0.6727689404067795
Energy: 0.6977190964116576
Energy: 0.7963253573318866
Energy: 0.6632374092936161
Energy: 0.7960297222495346
Energy: 0.6579695254278196
Energy: 0.6620311029401402
Energy: 0.7964098554397111
Energy: 0.6753481752699454
Energy: 0.836012123638025
Energy: 0.6570511459196455
Energy: 0.6732367448989376
Energy: 0.6749894673646162
Energy: 0.66964403375223
Energy: 0.6697482133122643
Energy: 0.6741462871698009
Energy: 0.8214718097500671
Energy: 0.6725583866969177
Energy: 0.6577859461099176
Energy: 0.6574021215343601
Energy: 0.6572586453543054
Energy: 0.821143734670338
Energy: 0.6741639041247564
Energy: 0.8218301556892235
Energy: 0.6580650350599586
Energy: 0.6572227954119022
Energy: 0.6575519377564767
Energy: 0.6577820125141226
Energy: 0.8212991921865593
Energy: 0.6762467912337754
Energy: 0.8368095126874437
Energy: 0.6577803771507907
Energy: 0.674218396091262
Energy: 0.6694886307706841
Energy: 0.6568951817933697
Energy: 0.6705326480970368
Energy: 0.6980492307902265
Energy: 0.7961518088498768
Energy: 0.6758030592253345
Energy: 0.856855624447411
Energy: 0.8572678624859476
Energy: 0.6744055331034686
Energy: 0.7968200421062267
Energy: 0.6754040179553098
Energy: 0.8356683431847329
Energy: 0.6577111678475267
Energy: 0.6705181532163406
Energy: 0.6693077197355087
Energy: 0.6569814994954374
Energy: 0.6713038346798886
Energy: 0.6756264128860201
Energy: 0.8219027054052387
Energy: 0.6709312070500418
Energy: 0.6574574154248144
Energy: 0.6571348370010138
Energy: 0.6582662859537687
Energy: 0.8217361669652776
Energy: 0.6751332026697908
Energy: 0.8213197137679903
Energy: 0.6582745305223704
Energy: 0.6576485050110314
Energy: 0.6579690199713334
Energy: 0.6578125370969792
Energy: 0.8203623390684226
Energy: 0.6755265560048351
Energy: 0.8373696463816311
Energy: 0.6700653197252774
Energy: 0.6728710878580957
Energy: 0.6746131164740254
Energy: 0.6697619088832829
Energy: 0.6694015797498594
Energy: 0.69837450078505
Energy: 0.7962081700766871
Energy: 0.6601871847343145
Energy: 0.6582941120214231
Energy: 0.6577544816178574
Energy: 0.6583373418744962
Energy: 0.7961907039257562
Energy: 0.6754807160387258
Energy: 0.8204016496119365
Energy: 0.6708638058376865
Energy: 0.6693913071634162
Energy: 0.6809111677014499
Energy: 0.6575142433169928
Energy: 0.6728649141734275
Energy: 0.6739700284450156
Energy: 0.820567275459392
Energy: 0.6708288915200669
Energy: 0.6697237817140248
Energy: 0.6819118373128426
Energy: 0.6581427577232025
Energy: 0.6704665563604831
Energy: 0.6985791295475191
Energy: 0.8213455405112239
Energy: 0.6578752991633923
Energy: 0.6578957200485489
Energy: 0.6579668567698556
Energy: 0.6579927741587805
Energy: 0.7964373241969261
Energy: 0.6774812051032375
Energy: 0.8218085520219296
Energy: 0.6698630584720443
Energy: 0.6728443738050014
Energy: 0.6743689890313307
Energy: 0.6700504030249377
Energy: 0.6692762362997751
Energy: 0.6748761191213721
Energy: 0.8210155380276256
Energy: 0.6586816088246725
Energy: 0.6578923976552278
Energy: 0.6576293395603473
Energy: 0.6574160430777791
Energy: 0.8201287127454805

minimum gb energy = 0.6568951817933697 eV
minimum distance =  2.63929356771076 Angstroms
sigma value = 23