Model name: model_name=EAM_QuinticClampedSpline_Kim_2021_PtAu__MO_463728687265_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=4.153700065612796
cohesive_energy=3.0333095737378044
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=[6.71113339743384e-20, 1.13971635947907e-19, 1.55646653463198e-19, 1.9318885635108597e-19, 2.2723671200021997e-19, 2.5822441027841396e-19, 2.86475590865736e-19, 3.12236988963822e-19, 3.3571047882855603e-19, 3.5705948247660597e-19, 3.7642178709849595e-19, 3.9391435158850797e-19, 4.09639715251218e-19, 4.2368759997813e-19, 4.3613651242431e-19, 4.4705855053828795e-19, 4.565161992087899e-19, 4.6456553461800595e-19, 4.71259428594858e-19, 4.76647548615e-19, 4.80771551270916e-19, 4.836714909784559e-19, 4.8538742215347e-19, 4.85951388328638e-19, 4.853361525011819e-19, 4.83323818648878e-19, 4.7963080150750795e-19, 4.739158374540299e-19, 4.657639627402379e-19, 4.54667287373154e-19, 4.4000576899542e-19, 4.2101837370588596e-19, 3.96758215113858e-19, 3.66050897746614e-19, 3.2741761257097196e-19, 2.78991823808322e-19, 2.1839429915717397e-19, 1.425602349343494e-19, 4.75099845986556e-20, -7.19910833485122e-20, -2.2291083508841996e-19, -4.1464651723246803e-19, -6.60085557971562e-19, -9.772171965522539e-19, -1.3916233872896218e-18, -1.94058838263348e-18, -2.6798326815610795e-18, -3.6953723410219795e-18]
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: 0.010851999469421478
Energy: 0.012175788227960109
Energy: 0.19873453606434785
Energy: 0.4215725374286621
Energy: 0.4224081266480288
Energy: 0.16268850149452635
Energy: 0.012421374644559622
Energy: 0.011262029823668473
Energy: 0.4656105774550767
Energy: 0.12256231772111133
Energy: 0.2904272594755788
Energy: 0.2896039738769776
Energy: 0.011643151918817596
Energy: 0.05999975529727912
Energy: 0.011096375591061365
Energy: 0.4222822295137568
Energy: 0.2776053406777249
Energy: 0.38677422415641677
Energy: 0.34975298451944714
Energy: 0.05900944556802851
Energy: 0.0598825404640831
Energy: 0.012439921448272436
Energy: 0.2892600996929966
Energy: 0.27734970529182257
Energy: 0.421321112413574
Energy: 0.4227077752197644
Energy: 0.05939231356796725
Energy: 0.011371438023462169
Energy: 0.05972358282049966
Energy: 0.4687903261220678
Energy: 0.12254444770064962
Energy: 0.29139949010075733
Energy: 0.35496152127477026
Energy: 0.011415732951274621
Energy: 0.05966362507430475
Energy: 0.011096045637284327
Energy: 0.2889119142874983
Energy: 0.38951806088577773
Energy: 0.38483654764650643
Energy: 0.34902523815518144
Energy: 0.05884064856439822
Energy: 0.06000271989393204

minimum gb energy = 0.010851999469421478 eV
minimum distance =  2.91023769688451 Angstroms
sigma value = 5


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

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Energy: 0.7107619454230909
Energy: 0.6385416156992418
Energy: 0.6870088783510108
Energy: 0.6832591384668355
Energy: 0.5700162590207846
Energy: 0.7099896232347082
Energy: 0.5777539543693133
Energy: 0.6260116422295363
Energy: 0.5865990077364345
Energy: 0.6455018881840415
Energy: 0.6064632353474779
Energy: 0.6017937770177831
Energy: 0.6253422152245782
Energy: 0.5899208504245381
Energy: 0.6011405967834587
Energy: 0.6352964104393534
Energy: 0.6004967260593502
Energy: 0.5824924342447674
Energy: 0.6361963859405214
Energy: 0.5991448161190488
Energy: 0.5678945809091457
Energy: 0.6202136914175617
Energy: 0.5832885251704981
Energy: 0.6410709909230298
Energy: 0.6407429078523758
Energy: 0.577211247413616
Energy: 0.6017639962800927
Energy: 0.5866714660053252
Energy: 0.5978012262436216
Energy: 0.5804723282195965
Energy: 0.6150661244610752
Energy: 0.6257625193423263
Energy: 0.5940443805171829
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Energy: 0.6058389876428534
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Energy: 0.6384186454822253
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Energy: 0.6287825792813589
Energy: 0.6099747587932431
Energy: 0.6333572299616215
Energy: 0.6378937558432503
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Energy: 0.6675849347532584
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Energy: 0.6319347509864314
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Energy: 0.596696850896816
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Energy: 0.6086293539284698
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Energy: 0.6332547512603638
Energy: 0.6034580135543373
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Energy: 0.5998282275126794
Energy: 0.5946942178189675
Energy: 0.6036889425565344
Energy: 0.6315004111580239
Energy: 0.6400192565781785
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Energy: 0.5953251897353298
Energy: 0.6018721303535329
Energy: 0.6325362159965787
Energy: 0.5966877605155222
Energy: 0.6618381024849507
Energy: 0.6038733801430478
Energy: 0.6037513932259648
Energy: 0.6067938305158259
Energy: 0.5812456289258011
Energy: 0.6310217620227662
Energy: 0.6137251999353037
Energy: 0.5805247270453576
Energy: 0.5851165179891235
Energy: 0.6489443504709778
Energy: 0.6327049897868329
Energy: 0.6264474134646182
Energy: 0.6283222982462685
Energy: 0.613604203937013
Energy: 0.6249665893792037
Energy: 0.6435968734983195
Energy: 0.5661392583500235
Energy: 0.6409444181409827
Energy: 0.593423778746675
Energy: 0.648088569462007
Energy: 0.618583378134222
Energy: 0.5870177282502862
Energy: 0.6032259008519324
Energy: 0.6520530253725411
Energy: 0.6147832762705798
Energy: 0.5943580383340211
Energy: 0.6192150238186896
Energy: 0.6341430683514483
Energy: 0.6042208894256983
Energy: 0.5941175123574604
Energy: 0.5939305713499259
Energy: 0.60785609873832
Energy: 0.5870884742260801
Energy: 0.6205370470318915
Energy: 0.6402886315219012
Energy: 0.5854281008128032
Energy: 0.6259481831380483
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Energy: 0.630776473775604
Energy: 0.6410480719622805
Energy: 0.6325389580517237
Energy: 0.6270274051627686
Energy: 0.6167895384544828
Energy: 0.644987884844212

minimum gb energy = 0.5651820898223524 eV
minimum distance =  2.67006700472286 Angstroms
sigma value = 401


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

Energy: 0.5774898219260914
Energy: 0.577060148569011
Energy: 0.6146470443941106
Energy: 0.5641650885670775
Energy: 0.6840366279179383
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Energy: 0.6781834004725211
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Energy: 0.5989764669870371
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Energy: 0.5814151899246549
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Energy: 0.5757261334558819
Energy: 0.5628251809911342
Energy: 0.5700491276727802
Energy: 0.5921082422551761
Energy: 0.6243068815281081
Energy: 0.5934869892373706
Energy: 0.6126408190706236
Energy: 0.5755005956029905
Energy: 0.567615768940463
Energy: 0.6376263262887361
Energy: 0.5993537233336971
Energy: 0.5776710197269413
Energy: 0.6004460507504386
Energy: 0.5802766815786902
Energy: 0.5996436075752327
Energy: 0.6024990960886356
Energy: 0.6055449171555171
Energy: 0.590196186238937
Energy: 0.582232082195724
Energy: 0.6022672800193472
Energy: 0.6125807168204447
Energy: 0.5680978837956611
Energy: 0.6386205398788335
Energy: 0.5767001194140541
Energy: 0.5739737611988582
Energy: 0.5777174357818239
Energy: 0.5903161053031509
Energy: 0.6286523302568056
Energy: 0.6351397437645069
Energy: 0.5768335096655051
Energy: 0.570684822900054
Energy: 0.5829620859021318
Energy: 0.576684068305704
Energy: 0.6125444084201112
Energy: 0.6280622464367858
Energy: 0.5668201439854083
Energy: 0.689941947753668
Energy: 0.5649234921558752
Energy: 0.5757115951728771
Energy: 0.5759233557116054
Energy: 0.5759521143484714
Energy: 0.6123380059942765
Energy: 0.5770544322491467
Energy: 0.5975666254775596
Energy: 0.6077499423996389
Energy: 0.5929507482985519
Energy: 0.6461375433084108
Energy: 0.6119359624473231
Energy: 0.6099230764410873
Energy: 0.5982361471621931
Energy: 0.6044522100996276
Energy: 0.5956950703355866
Energy: 0.6031116262341077
Energy: 0.571316911161559
Energy: 0.5895173750681902
Energy: 0.5822399279004045
Energy: 0.5793134722018786
Energy: 0.5963760599515829
Energy: 0.56782019467035
Energy: 0.633233447788255
Energy: 0.6285642986373666
Energy: 0.5900873863399423
Energy: 0.5769987694527285
Energy: 0.5841443003008729
Energy: 0.5646096726066934
Energy: 0.6824539386690744
Energy: 0.6378004103338839
Energy: 0.6298270183348998
Energy: 0.5859202342395102
Energy: 0.5786571304162397
Energy: 0.5752760121580488
Energy: 0.5630720259652401
Energy: 0.569272259760586
Energy: 0.6128119570241037
Energy: 0.5923340619958383
Energy: 0.604231721081243
Energy: 0.6107660909014786
Energy: 0.5747750871211544
Energy: 0.5684656719367722
Energy: 0.6361795571623523
Energy: 0.6001337303702632
Energy: 0.5770035175768852
Energy: 0.6016494821177728
Energy: 0.5805854039976126
Energy: 0.5791406565447613
Energy: 0.5988086249252234
Energy: 0.6043326857996087
Energy: 0.5897636916161966
Energy: 0.6115651156363175
Energy: 0.6023133522202619
Energy: 0.6102913670686273
Energy: 0.5677147874729461
Energy: 0.6365196714127368
Energy: 0.5690234464155498
Energy: 0.5765259653487074
Energy: 0.5827709132267614
Energy: 0.5875376650581431
Energy: 0.5829085379981461
Energy: 0.6369048542837419
Energy: 0.5658262628398847
Energy: 0.5765138461825031
Energy: 0.5839433019480665

minimum gb energy = 0.5628251809911342 eV
minimum distance =  2.68900864706935 Angstroms
sigma value = 311


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

Energy: 0.6505926735513176
Energy: 0.5746730649864304
Energy: 0.609611690667003
Energy: 0.605149808763293
Energy: 0.5758035600838538
Energy: 0.5750230691976044
Energy: 0.6269442225796177
Energy: 0.5857305094910915
Energy: 0.612354083330747
Energy: 0.5842003469196184
Energy: 0.5813692625200753
Energy: 0.5878824088315511
Energy: 0.5902554765917685
Energy: 0.6203491969500744
Energy: 0.621786559338641
Energy: 0.5795024166125966
Energy: 0.6073284840170635
Energy: 0.6023520206425333
Energy: 0.5968115186241711
Energy: 0.598995427572723
Energy: 0.5836379840156184
Energy: 0.5909701747499994
Energy: 0.6352058504609274
Energy: 0.5853579056656426
Energy: 0.6299848793546475
Energy: 0.6024052567976961
Energy: 0.570643363892588
Energy: 0.6083413340708632
Energy: 0.6090813085127483
Energy: 0.5977097430258236
Energy: 0.6009285674978815
Energy: 0.6402160648104613
Energy: 0.5856068992891593
Energy: 0.63362823999691
Energy: 0.5929547788633449
Energy: 0.5790855619942142
Energy: 0.5708423286791852
Energy: 0.5863479389339424
Energy: 0.5863606956127747
Energy: 0.5814486490192574
Energy: 0.5808287678885654
Energy: 0.583926374701242
Energy: 0.5956565789701183
Energy: 0.5698578214690728
Energy: 0.6132902401858606
Energy: 0.5761186216218529
Energy: 0.6066316505103619
Energy: 0.5915924102774678
Energy: 0.5560312160844723
Energy: 0.6011656379997986
Energy: 0.5830873742701642
Energy: 0.5953339922385816
Energy: 0.6077508859774635
Energy: 0.6211040496430997
Energy: 0.6179764840742273
Energy: 0.6091413103828681
Energy: 0.600678728850778
Energy: 0.584916390989789
Energy: 0.6177338075868517
Energy: 0.5757051412578951
Energy: 0.5839014292080592
Energy: 0.5857757443339189
Energy: 0.6069155969593346
Energy: 0.576215811161728
Energy: 0.6074416235137053
Energy: 0.6030465051927979
Energy: 0.6013238569863795
Energy: 0.5933997880822971
Energy: 0.6083387355556633
Energy: 0.5998592046778803
Energy: 0.5958171683661632
Energy: 0.5939500588051327
Energy: 0.5824386080645253
Energy: 0.637993306366361
Energy: 0.5972747500192319
Energy: 0.6439643868054826
Energy: 0.5855435095665404
Energy: 0.5831047719978979
Energy: 0.5669776656151613
Energy: 0.5826462053678906
Energy: 0.5882751524599302
Energy: 0.5844515919132204
Energy: 0.5709820412542959
Energy: 0.5907512965788605
Energy: 0.6103271208399283
Energy: 0.6097749898283487
Energy: 0.6002757938372378
Energy: 0.5777601227822415
Energy: 0.60014717372192
Energy: 0.5727733016454316
Energy: 0.5947339933149329
Energy: 0.6117860709781595
Energy: 0.6564455343693029
Energy: 0.6053533976386667
Energy: 0.6037066512381482
Energy: 0.6217732806631171
Energy: 0.6324692357354936
Energy: 0.6175440617496644
Energy: 0.5888360077984219
Energy: 0.596499396452404
Energy: 0.5903865050981241
Energy: 0.5893525080803746
Energy: 0.5962107121752251
Energy: 0.5910633648085277
Energy: 0.5860895689970866
Energy: 0.5751197221169576
Energy: 0.5977498772083109
Energy: 0.6103729751875637
Energy: 0.591304646041339
Energy: 0.619866753623599
Energy: 0.5754535287932212
Energy: 0.5816657787738541
Energy: 0.6372730080611864
Energy: 0.5911582908217038
Energy: 0.5752114779440969
Energy: 0.633734933647061
Energy: 0.6020245342614606
Energy: 0.5949421083713008
Energy: 0.591100950108151
Energy: 0.5747848903311586
Energy: 0.5978063913655643
Energy: 0.5785906317997945
Energy: 0.6098666309076669
Energy: 0.5844162362181969
Energy: 0.5497206825921486
Energy: 0.5769516221000905
Energy: 0.6342784766908832
Energy: 0.5813760550211636
Energy: 0.5798639151480521
Energy: 0.6023058880623202
Energy: 0.5580361462768013
Energy: 0.572309369183079
Energy: 0.6232509757827556
Energy: 0.6193180986036184
Energy: 0.6249563940689496
Energy: 0.5793400090427018
Energy: 0.6290644789135789
Energy: 0.6353172148196045
Energy: 0.5884218291178603
Energy: 0.6097449784841682
Energy: 0.6156974201063533
Energy: 0.5829924463000552
Energy: 0.5781153633919272
Energy: 0.5842965902812051
Energy: 0.5954775861202383
Energy: 0.5708571714945205
Energy: 0.5884382586342214
Energy: 0.5820993253964175
Energy: 0.6050727475858059
Energy: 0.5922113511992657
Energy: 0.5932714382728703
Energy: 0.6082256526167057
Energy: 0.5784405760759097
Energy: 0.5807151854129268
Energy: 0.6569050865420945
Energy: 0.6015650837636609
Energy: 0.5971069045482759
Energy: 0.6349224563275709
Energy: 0.5828383998109864
Energy: 0.6334105358471381
Energy: 0.5966933055646468
Energy: 0.5783688300012323
Energy: 0.5976927912240674
Energy: 0.5851289582442916
Energy: 0.5801433785288398
Energy: 0.5914321107579575
Energy: 0.5817012743804395
Energy: 0.5876452064875642
Energy: 0.598464810205074
Energy: 0.5730117436115564
Energy: 0.6144593000742659
Energy: 0.5764846863859501
Energy: 0.5819962602583794
Energy: 0.5716248545853936
Energy: 0.5929649561517844
Energy: 0.6024124989801563
Energy: 0.6136934547921394
Energy: 0.5948459800034768
Energy: 0.6247869438170474
Energy: 0.6214707072087884
Energy: 0.6346051287128383
Energy: 0.6257356842331274
Energy: 0.5916304566262358
Energy: 0.5870761510048739
Energy: 0.5774971692164002
Energy: 0.5926798649205473
Energy: 0.5868590599468461
Energy: 0.6028744133647309
Energy: 0.5877346930833509
Energy: 0.5679850576512373
Energy: 0.602948579415989
Energy: 0.5797592021465563
Energy: 0.6101320005327856
Energy: 0.5849747297091662
Energy: 0.6016076416896349
Energy: 0.5944916374287555
Energy: 0.6252155817255935
Energy: 0.5934239721446317
Energy: 0.5896138206246816
Energy: 0.6178037049454637
Energy: 0.5802584596619349
Energy: 0.6366062130856354
Energy: 0.5970606976936839
Energy: 0.5916708751153908
Energy: 0.5917246711593342
Energy: 0.6188899517845833
Energy: 0.593944115374448
Energy: 0.6121054477316714
Energy: 0.5762118119838403
Energy: 0.5835371812194721
Energy: 0.6022884261848004
Energy: 0.5890348228646216
Energy: 0.6086320791943548
Energy: 0.5761179116332996
Energy: 0.5749045122866911
Energy: 0.5770353306674748
Energy: 0.6045523357975437
Energy: 0.5913909392745788
Energy: 0.5961995709577231
Energy: 0.6050881528214326
Energy: 0.632949550200921
Energy: 0.6209112075064319
Energy: 0.6176580379443413
Energy: 0.5963077989081251
Energy: 0.6115012218380169
Energy: 0.5770942340729185
Energy: 0.596894106602654
Energy: 0.5932401440340835
Energy: 0.6400473319707767
Energy: 0.5752308848891631
Energy: 0.596329952746613
Energy: 0.5806122504362642
Energy: 0.5781343492013034
Energy: 0.5761307829585284
Energy: 0.5985427812970723
Energy: 0.6055301177729183
Energy: 0.5766585460957205
Energy: 0.5891699137443123
Energy: 0.5865140307439228
Energy: 0.5966814187116697
Energy: 0.5730499936829611
Energy: 0.6235030915221269
Energy: 0.5955080117238577
Energy: 0.6244916252704211
Energy: 0.5961549042068646
Energy: 0.5827801208427265
Energy: 0.6016726579412938
Energy: 0.6281998152287271
Energy: 0.6130611848657204
Energy: 0.5951322309737093
Energy: 0.572897731001214
Energy: 0.6269798720730342

minimum gb energy = 0.5497206825921486 eV
minimum distance =  2.64101933006028 Angstroms
sigma value = 39


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

Energy: 0.5470732751315273
Energy: 0.5331632385696458
Energy: 0.6136506218762592
Energy: 0.6475387729021944
Energy: 0.5993600266659849
Energy: 0.6237036486840849
Energy: 0.531429965425229
Energy: 0.5538106453727439
Energy: 0.5853545810269722
Energy: 0.6089328511336459
Energy: 0.5797078262123556
Energy: 0.5565464342445049
Energy: 0.5723522993716937
Energy: 0.5831767541521854
Energy: 0.5734242186504163
Energy: 0.5691797998287156
Energy: 0.5677551430408287
Energy: 0.5732935077582286
Energy: 0.5562145198264153
Energy: 0.5717804348436055
Energy: 0.582415979081745
Energy: 0.5698519456420809
Energy: 0.5623463107771994
Energy: 0.5603495154095058
Energy: 0.5610411153104163
Energy: 0.5805871818819508
Energy: 0.5697497271238251
Energy: 0.6082725872279714
Energy: 0.5728287021763698
Energy: 0.5552616895532512
Energy: 0.5725014805499562
Energy: 0.5705756072111993
Energy: 0.6167339606030262
Energy: 0.5414147411217717
Energy: 0.5717186004054173
Energy: 0.5318154218254627
Energy: 0.5561585537507554
Energy: 0.5674036653653839
Energy: 0.5584039592635454
Energy: 0.5923711183424111
Energy: 0.5900740958917976
Energy: 0.6263062387565504
Energy: 0.5772280836225803
Energy: 0.6006769191449896
Energy: 0.5639612751857697
Energy: 0.617725197833191
Energy: 0.532292904034968
Energy: 0.5333941311332655
Energy: 0.5832138386652159
Energy: 0.5326891671698026
Energy: 0.5876858710785715
Energy: 0.6153593628277914
Energy: 0.5528653400825041
Energy: 0.628414211377766
Energy: 0.5743202084149687
Energy: 0.5724232204620862
Energy: 0.5328419166619964
Energy: 0.5870151211664235
Energy: 0.5823623872610835
Energy: 0.551203313376689
Energy: 0.5547489045558219
Energy: 0.5421055838394502
Energy: 0.6254300172470345
Energy: 0.5778431638139687
Energy: 0.5790554917177405
Energy: 0.5684194100952175
Energy: 0.5814212650148293
Energy: 0.5569510488494407
Energy: 0.5722672874753798
Energy: 0.5713530373701439
Energy: 0.5723506533433365
Energy: 0.5512499050502198
Energy: 0.5685685951929198
Energy: 0.5506628961841865
Energy: 0.5623744464258673
Energy: 0.5725516545418642
Energy: 0.6102666160500866
Energy: 0.5862660486782175
Energy: 0.5552537056969342
Energy: 0.5500385729848981
Energy: 0.5524353568512602
Energy: 0.5804306340611282
Energy: 0.5691908244972295
Energy: 0.5849494655695152
Energy: 0.5314523661976349
Energy: 0.5558448386496181
Energy: 0.5958296986732378
Energy: 0.5682366153119528
Energy: 0.5740889804746119
Energy: 0.5730981985471734
Energy: 0.5714121204622818
Energy: 0.5797434431775287
Energy: 0.5692962596960962
Energy: 0.5694436295931328
Energy: 0.6059273045614113
Energy: 0.5334136518760662
Energy: 0.5325209777911776
Energy: 0.5820511131857464
Energy: 0.5315459742560116
Energy: 0.5851471125138227
Energy: 0.5636361454271493
Energy: 0.5933232851000187
Energy: 0.5311535959175523
Energy: 0.5319093841780997
Energy: 0.5836785163251845
Energy: 0.5310124169012209
Energy: 0.5916611604242685
Energy: 0.6551706991842757
Energy: 0.569927274442707
Energy: 0.5991226986249313
Energy: 0.6108761600598877
Energy: 0.5314243326568264
Energy: 0.5716651421792542
Energy: 0.5854055848634201
Energy: 0.6088336751581773
Energy: 0.5797360748016255
Energy: 0.556674229419921
Energy: 0.5723919894516741
Energy: 0.5829939550039436
Energy: 0.5721564154320162
Energy: 0.5627471168136295
Energy: 0.6078567681288417
Energy: 0.5759675638803996
Energy: 0.5563753573081794
Energy: 0.5718630418763079
Energy: 0.5824381867964251
Energy: 0.5699096266434888
Energy: 0.561139567258566
Energy: 0.5635604640002496
Energy: 0.561082485549652
Energy: 0.5807494956314428
Energy: 0.5674040367265675
Energy: 0.653525694547435
Energy: 0.5740131670907379
Energy: 0.5553343853858721
Energy: 0.5724756992476022
Energy: 0.5705889895367996
Energy: 0.5930531315610397
Energy: 0.5421182713811112
Energy: 0.5718060850788051
Energy: 0.5318550026771347
Energy: 0.5550418455385777
Energy: 0.567180565569874
Energy: 0.5581535458034269
Energy: 0.5921745619509239
Energy: 0.5385498250883431
Energy: 0.6263844587697965
Energy: 0.5772797812686014
Energy: 0.5516525625321123
Energy: 0.5644207963817215
Energy: 0.6178697135788854
Energy: 0.5323415005496611
Energy: 0.5334628399427334
Energy: 0.5813918619750408
Energy: 0.5324522029023616
Energy: 0.5873058582826023
Energy: 0.59284020762614
Energy: 0.552251319892322
Energy: 0.628745613383397
Energy: 0.5743149843491537
Energy: 0.5716680642483754
Energy: 0.5330687680248051
Energy: 0.5869025377028829
Energy: 0.5821865199642606
Energy: 0.5537891727045182
Energy: 0.5542920183976602
Energy: 0.542254885754058
Energy: 0.6261559639271356
Energy: 0.5773242058047732
Energy: 0.5518440897266879
Energy: 0.5678543078389354
Energy: 0.5729692551034373
Energy: 0.5567141986112437
Energy: 0.5724125321138056
Energy: 0.5713538525952012
Energy: 0.5722365124621943
Energy: 0.5508645990409088
Energy: 0.5687474381257371
Energy: 0.5507042098427958
Energy: 0.562494307473476
Energy: 0.567531029557299
Energy: 0.6092047696747599
Energy: 0.5866207064561305
Energy: 0.5552137233021549
Energy: 0.5501167177829717
Energy: 0.5526306854390759
Energy: 0.5808542825801748
Energy: 0.5697003388535704
Energy: 0.5848884508055493
Energy: 0.5316127208775016
Energy: 0.5548533833712158
Energy: 0.5952339893968961
Energy: 0.568277335357013
Energy: 0.5741282377201166
Energy: 0.573058746577129
Energy: 0.5716990157559098
Energy: 0.5795092914217079
Energy: 0.5691515688662958
Energy: 0.5694635075228619
Energy: 0.6055954140928571
Energy: 0.5335734240133385
Energy: 0.5324948996990562
Energy: 0.5702310680165379
Energy: 0.5424157055384029
Energy: 0.58448664949172
Energy: 0.5635472157125344
Energy: 0.5539782391351024
Energy: 0.5312798233681297
Energy: 0.5316357540950721
Energy: 0.5845308694145457

minimum gb energy = 0.5310124169012209 eV
minimum distance =  2.72179341761297 Angstroms
sigma value = 21


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

Energy: 0.6879019049508702
Energy: 0.6404921075184176
Energy: 0.6827816808130399
Energy: 0.7294333513637914
Energy: 0.6090101123067132
Energy: 0.5702936079581564
Energy: 0.6310868616921557
Energy: 0.5919649903563816
Energy: 0.5921829371577922
Energy: 0.6457540684314671
Energy: 0.5098453442881695
Energy: 0.5512611172128562
Energy: 0.6193230739681927
Energy: 0.5777201605668624
Energy: 0.5759600243542432
Energy: 0.5377310500480834
Energy: 0.5864823493623095
Energy: 0.5490868251013974
Energy: 0.6099196137443038
Energy: 0.5531655498481979
Energy: 0.571763287777725
Energy: 0.5478105019720271
Energy: 0.5429266295832678
Energy: 0.6017574829091482
Energy: 0.6330772622399194
Energy: 0.5748995567652775
Energy: 0.5702634688268572
Energy: 0.6314951781348095
Energy: 0.5469529398633551
Energy: 0.5255307040008448
Energy: 0.585955025767659
Energy: 0.5428103350481124
Energy: 0.5556454414905702
Energy: 0.5663006905546927
Energy: 0.5739532284446254
Energy: 0.531732789913688
Energy: 0.532130566610174
Energy: 0.5712976837977435
Energy: 0.5469502200619739
Energy: 0.5507649720783182
Energy: 0.559558524726947
Energy: 0.5651923390292982
Energy: 0.5469960722987736
Energy: 0.5516251283359646
Energy: 0.5711903353291244
Energy: 0.5265391469198771
Energy: 0.5315088842557083
Energy: 0.5316689090939921
Energy: 0.5716349181955883
Energy: 0.5869294513168402
Energy: 0.5570576548554075
Energy: 0.5866551056221493
Energy: 0.5838904059943297
Energy: 0.5314364645674831
Energy: 0.5519998048989392
Energy: 0.5776110624471665
Energy: 0.5698252794587207
Energy: 0.5433321172717638
Energy: 0.5861401601204651
Energy: 0.5391146771502711
Energy: 0.547857231693921
Energy: 0.5621730811440692
Energy: 0.5658500403625932
Energy: 0.6293199618879274
Energy: 0.5578008358754492
Energy: 0.5791849671506512
Energy: 0.631485571295831
Energy: 0.5827324836929791
Energy: 0.5700543116471304
Energy: 0.5627688009378919
Energy: 0.5627041757382251
Energy: 0.5480303725011776
Energy: 0.571144599971067
Energy: 0.5458170375102963
Energy: 0.5821171350810306
Energy: 0.5310542162166616
Energy: 0.5762087011951095
Energy: 0.584550060188028
Energy: 0.5948010227634967
Energy: 0.6379682570678609
Energy: 0.645407685146725
Energy: 0.5959062380320095
Energy: 0.5866321936133052
Energy: 0.6458341269550336
Energy: 0.5316156989430578
Energy: 0.6091443451003286
Energy: 0.6191949316160039
Energy: 0.6769497702794028
Energy: 0.6108452314912529
Energy: 0.5688677666059229
Energy: 0.6186270367430852
Energy: 0.5320250824356878
Energy: 0.5558066610162283
Energy: 0.5782951636298417
Energy: 0.5538388044395185
Energy: 0.5539342445716603
Energy: 0.6343552412136717
Energy: 0.5772578799464487
Energy: 0.5918034424239667
Energy: 0.5373092580816502
Energy: 0.5715078608163019
Energy: 0.5098109480816881
Energy: 0.6787880498173443
Energy: 0.5468638244285671
Energy: 0.6476825984427266
Energy: 0.6096748136308006
Energy: 0.5433473112378394
Energy: 0.5986331385240644
Energy: 0.5916331980663484
Energy: 0.5766486340478679
Energy: 0.5853791542856712
Energy: 0.6280208528688822
Energy: 0.5555197387218537
Energy: 0.5634731635668542
Energy: 0.568731793322694
Energy: 0.5403739496546979
Energy: 0.5101804326329427
Energy: 0.5588078716199779
Energy: 0.5740241479370979
Energy: 0.5318222919297694
Energy: 0.5354760032523893
Energy: 0.5322855981058524
Energy: 0.5752452241238365
Energy: 0.5518531411475391
Energy: 0.5722497982949701
Energy: 0.5743523535296968
Energy: 0.5318701579339179
Energy: 0.5515162075728864
Energy: 0.5788224332113857
Energy: 0.5476486803791408
Energy: 0.5315093475553188
Energy: 0.5318815433136345
Energy: 0.565359666488103
Energy: 0.6061232537222722
Energy: 0.5556091090356308
Energy: 0.5843760680350523
Energy: 0.5889945632525264
Energy: 0.5319445432869446
Energy: 0.5466760060310845
Energy: 0.573866703581156
Energy: 0.5789311161716713
Energy: 0.5730267055155258
Energy: 0.6035854215056967
Energy: 0.6627216140616163
Energy: 0.6371482013032692
Energy: 0.5741791226092862
Energy: 0.5747804883621415
Energy: 0.548177930898903
Energy: 0.5375142226429325
Energy: 0.5713149335423284
Energy: 0.5836913611150425
Energy: 0.5130422001574144
Energy: 0.5896846427762346
Energy: 0.5605333680850088
Energy: 0.6213194621218792
Energy: 0.5376850910204701
Energy: 0.6227043763469778
Energy: 0.6753961338336995
Energy: 0.5764552330565587
Energy: 0.6464901101004252
Energy: 0.6224895648533211
Energy: 0.5771169800048914
Energy: 0.5373194240595255
Energy: 0.6080528123710838
Energy: 0.586672460558793
Energy: 0.6625811517665356
Energy: 0.6535854073772518
Energy: 0.6458729686842403
Energy: 0.5319034838443444
Energy: 0.6229017241406642
Energy: 0.6297822430303565
Energy: 0.5539424403254194
Energy: 0.5766602078550948
Energy: 0.5913808589993694
Energy: 0.562055848458274

minimum gb energy = 0.5098109480816881 eV
minimum distance =  2.7008129043623 Angstroms
sigma value = 113


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

Energy: 0.6396941952114172
Energy: 0.7295336325715438
Energy: 0.7101599716138332
Energy: 0.6867954074754834
Energy: 0.6988597491737879
Energy: 0.659608645201033
Energy: 0.7294747416981314
Energy: 0.6552760862507353
Energy: 0.7124921489676164
Energy: 0.6697476098553216
Energy: 0.746712595148621
Energy: 0.7252378716660228
Energy: 0.7110427354462197
Energy: 0.6304558691489682
Energy: 0.6528286516483652
Energy: 0.7241766470943084
Energy: 0.6295424401765599
Energy: 0.6960004594902695
Energy: 0.6578512176145588
Energy: 0.6428404184881411
Energy: 0.6406645897858566
Energy: 0.6647757388139823
Energy: 0.705455562599095
Energy: 0.6607225775722408
Energy: 0.6530042775415869
Energy: 0.6853505035025118
Energy: 0.670458697705271
Energy: 0.7183095929042373
Energy: 0.6276182162275206
Energy: 0.7217298223947626
Energy: 0.6242459597914874
Energy: 0.6781424580613502
Energy: 0.6516205293066867
Energy: 0.619542781807995
Energy: 0.6742946862017977
Energy: 0.6012398230551704
Energy: 0.6306456541569391
Energy: 0.6587516558816823
Energy: 0.6294457307994071
Energy: 0.608863785270011
Energy: 0.616515812057253
Energy: 0.641449854314435
Energy: 0.6137426781864362
Energy: 0.6384994038399534
Energy: 0.6244367869649458
Energy: 0.5988372641221209
Energy: 0.6508629807257819
Energy: 0.642615325608023
Energy: 0.6487495247936856
Energy: 0.5757039999607663
Energy: 0.600940844167424
Energy: 0.5925766266716994
Energy: 0.7031420587448285
Energy: 0.6662257244924756
Energy: 0.631092918184669
Energy: 0.6085253447745587
Energy: 0.5571561129041614
Energy: 0.5917688529394256
Energy: 0.6570990757534545
Energy: 0.577071475745133
Energy: 0.5853481498581068
Energy: 0.6807651322076325
Energy: 0.6763367643314547
Energy: 0.6557844894165784
Energy: 0.6336727136900767
Energy: 0.5969816109723198
Energy: 0.5854965160877755
Energy: 0.5870886059116547
Energy: 0.6406067549548624
Energy: 0.6318316111974279
Energy: 0.6590243853569617
Energy: 0.5772728186837206
Energy: 0.562644656358137
Energy: 0.5819841294030387
Energy: 0.589878533728964
Energy: 0.6364746462490716
Energy: 0.6413337721986065
Energy: 0.5594327791478775
Energy: 0.6182979219265192
Energy: 0.6104225595296885
Energy: 0.6673096234750301
Energy: 0.6404153003153352
Energy: 0.6575982085940505
Energy: 0.6544662774479293
Energy: 0.5959997959325994
Energy: 0.5800653244392787
Energy: 0.5695574260432895
Energy: 0.6649080155608437
Energy: 0.6524975538235944
Energy: 0.6203850731080838
Energy: 0.5950767387884924
Energy: 0.6399001894223568
Energy: 0.6172542533698608
Energy: 0.6129464642270313
Energy: 0.5982592523212196
Energy: 0.6056556967664157
Energy: 0.6186464943288712
Energy: 0.5896478088369351
Energy: 0.5758974166339407
Energy: 0.6246820761252043
Energy: 0.6375996797297279
Energy: 0.611186404229479
Energy: 0.583416531532511
Energy: 0.603262417864099
Energy: 0.6208605565364568
Energy: 0.6378262974919968
Energy: 0.6436443052556272
Energy: 0.5973881096687801
Energy: 0.6435279897990822
Energy: 0.6302769609223288
Energy: 0.6278698439577063
Energy: 0.6648683635598952
Energy: 0.6185163663915868
Energy: 0.7055531794262688
Energy: 0.6399980963462236
Energy: 0.621421689418324
Energy: 0.6467724966210259
Energy: 0.6689059120077571
Energy: 0.6910862838180867
Energy: 0.6312510185840468
Energy: 0.6703149889836665
Energy: 0.6450961703819426
Energy: 0.675969671122087
Energy: 0.6398311508559358
Energy: 0.6667228867761941
Energy: 0.6381219814313351
Energy: 0.6419452324561282
Energy: 0.7157097434473408
Energy: 0.6504540811102187
Energy: 0.6367513299127099
Energy: 0.6764276207327976
Energy: 0.645326395366178
Energy: 0.64836819384187
Energy: 0.6644943103391326
Energy: 0.6808734055004919
Energy: 0.6650693593357693
Energy: 0.683946356861913
Energy: 0.653519517026718
Energy: 0.6732320443920501
Energy: 0.6509221104023447
Energy: 0.6216114754450298
Energy: 0.6611240080862276
Energy: 0.6013812115039893
Energy: 0.693316458001128
Energy: 0.6293867929710818
Energy: 0.6413380727372425
Energy: 0.6346862937426058
Energy: 0.6219036486223319
Energy: 0.7017241000340126
Energy: 0.6653991902261279
Energy: 0.658360583011265
Energy: 0.5996134198355989
Energy: 0.5620692913292267
Energy: 0.6299458395734601
Energy: 0.6460297163382317
Energy: 0.6942285821026818
Energy: 0.7069757504090088
Energy: 0.6058200521067031
Energy: 0.6924377976865306
Energy: 0.6716759215807173
Energy: 0.7365268525960855
Energy: 0.6524800736027091
Energy: 0.7137701934740247
Energy: 0.6337901279954199
Energy: 0.6862064847880128
Energy: 0.6931489575652693
Energy: 0.6042788417238139
Energy: 0.6275080507779486
Energy: 0.5948266706996003
Energy: 0.7215601428485403
Energy: 0.658022751161994
Energy: 0.6606554777029494
Energy: 0.631549260072234
Energy: 0.6662154585550931
Energy: 0.5825658349069492
Energy: 0.6505632744814657
Energy: 0.7354276725260775
Energy: 0.6605888091489721
Energy: 0.6521135980495613
Energy: 0.7117223146675468
Energy: 0.6718497450839499
Energy: 0.7199783445304981
Energy: 0.5752575501145097
Energy: 0.7223213228807128
Energy: 0.6195740244584607
Energy: 0.6855819103800576
Energy: 0.6501498491875517
Energy: 0.6256375791063957
Energy: 0.6748006853774113
Energy: 0.6006120383526519
Energy: 0.6334018641280602
Energy: 0.6209831213765612
Energy: 0.6223744880161123
Energy: 0.6102773860568994
Energy: 0.6182344683710946
Energy: 0.6519558905283847
Energy: 0.6206433840379351
Energy: 0.6385752404394
Energy: 0.641840509052258
Energy: 0.6400527672586245
Energy: 0.6429606985209094
Energy: 0.6185262948450762
Energy: 0.6525535607922529
Energy: 0.6036117422298667
Energy: 0.5996145219221785
Energy: 0.5959329038066097
Energy: 0.7034073479111701
Energy: 0.5741627403697922
Energy: 0.5899628940926803
Energy: 0.6086832570062296
Energy: 0.55755670829354
Energy: 0.5925984683925913
Energy: 0.5990894791480093
Energy: 0.5779762204267629
Energy: 0.6095581099989849
Energy: 0.6780104419694066
Energy: 0.567674983000772
Energy: 0.6041987635063651
Energy: 0.669158024488456
Energy: 0.6153944970812281
Energy: 0.5847325291025971
Energy: 0.5795674087518503
Energy: 0.6514321739337857
Energy: 0.5697629621624678
Energy: 0.6575441179353845
Energy: 0.59702516088023
Energy: 0.5914006820101644
Energy: 0.6010957174861569
Energy: 0.5595111327138717
Energy: 0.6360193761470788
Energy: 0.6418190005779467
Energy: 0.5608851943729145
Energy: 0.6005153909317211
Energy: 0.6775381263095496
Energy: 0.5777332738357053
Energy: 0.6578911647204947
Energy: 0.6506483499408645
Energy: 0.5736043644129488
Energy: 0.570953630375519
Energy: 0.580122778209856
Energy: 0.5888978590210734
Energy: 0.66665431981646
Energy: 0.5924259279124193
Energy: 0.6187635649474547
Energy: 0.5956276417353421
Energy: 0.6200456107415834
Energy: 0.6186764233386474
Energy: 0.657164687838775
Energy: 0.5982294312332013
Energy: 0.6021667431935976
Energy: 0.64431217300701
Energy: 0.5893569155879926
Energy: 0.5757773467280557
Energy: 0.6215396558350925
Energy: 0.6393568809622258
Energy: 0.5742962530687389
Energy: 0.583084406610047
Energy: 0.6078334775396176
Energy: 0.620600589858469
Energy: 0.6428803070560207
Energy: 0.6456331954310631
Energy: 0.595411048804247
Energy: 0.6383448194443996
Energy: 0.6299672048651851
Energy: 0.6292220643139728
Energy: 0.6644510315952326
Energy: 0.6134492105618593
Energy: 0.6635540216653241
Energy: 0.6401258871043845
Energy: 0.6400340544789208
Energy: 0.6586610972998345
Energy: 0.6373545208701091
Energy: 0.6440948489392627
Energy: 0.6041416089821563
Energy: 0.6704312035145527
Energy: 0.6433540360553823
Energy: 0.6748436773993433
Energy: 0.6644885966159477
Energy: 0.6452346328769242
Energy: 0.6888211959286893
Energy: 0.6578724571889359
Energy: 0.7145766819043728
Energy: 0.6045676705440636
Energy: 0.730796973469907
Energy: 0.7183333112546985
Energy: 0.6041225685516298
Energy: 0.7313838492270773
Energy: 0.6649928050570724
Energy: 0.7136012843331193
Energy: 0.6648268512808326
Energy: 0.6381977412100179
Energy: 0.6531583049694191
Energy: 0.6623707322316689
Energy: 0.6927137443361451
Energy: 0.6095654268502365
Energy: 0.6593901750253577
Energy: 0.6005874756610686
Energy: 0.6316192507546582
Energy: 0.6270211627576385
Energy: 0.6350323773391733
Energy: 0.6291516513041997
Energy: 0.6065372656429402
Energy: 0.7007716214558503
Energy: 0.6645260061617125
Energy: 0.677978992351213
Energy: 0.6061030649368364
Energy: 0.5695921632783636
Energy: 0.6742013922755867
Energy: 0.6387010146880826
Energy: 0.6615765369468406
Energy: 0.7052644878227193
Energy: 0.7089224591391673
Energy: 0.6923189801661667
Energy: 0.6668915358792233
Energy: 0.6624981809432172

minimum gb energy = 0.5571561129041614 eV
minimum distance =  2.62837381396896 Angstroms
sigma value = 365


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

Energy: 0.6119340281451117
Energy: 0.5862839429925009
Energy: 0.5867870584123065
Energy: 0.5898746999038661
Energy: 0.5915422877273305
Energy: 0.5865638786523242
Energy: 0.5865286985867174
Energy: 0.6205025900133526
Energy: 0.6894182297658532
Energy: 0.5623555278567334
Energy: 0.5621490047117356
Energy: 0.5616889958805136
Energy: 0.562496977693247
Energy: 0.6887445238116092
Energy: 0.5919714469475074
Energy: 0.6998272345660972
Energy: 0.565625229506976
Energy: 0.5824121222515191
Energy: 0.590590054154296
Energy: 0.5649603637476017
Energy: 0.5818708783923583
Energy: 0.5923276502007636
Energy: 0.7162285890487851
Energy: 0.5645552219076952
Energy: 0.5874610936552027
Energy: 0.5894092384433701
Energy: 0.562918372737112
Energy: 0.583013900742471
Energy: 0.6112820955099911
Energy: 0.6896044616248183
Energy: 0.5665152570734309
Energy: 0.5665152570734309
Energy: 0.5606578134650109
Energy: 0.5655862091281818
Energy: 0.6883667502793303
Energy: 0.5934196140000366
Energy: 0.7167248245040594
Energy: 0.5638027462757698
Energy: 0.5890041107518135
Energy: 0.5915595056556775
Energy: 0.583324031484165
Energy: 0.5855938813654327
Energy: 0.5923972494372988
Energy: 0.6926250900974766
Energy: 0.5628637857001723
Energy: 0.5625943034340298
Energy: 0.5622150143154775
Energy: 0.5636966717988416
Energy: 0.6911778982514956
Energy: 0.5923481745971323
Energy: 0.6990185282413685
Energy: 0.5641518713665136
Energy: 0.5629108784909761
Energy: 0.5629096839164391
Energy: 0.5643701719140414
Energy: 0.696176753557791
Energy: 0.5939651415168489
Energy: 0.7178416817345499
Energy: 0.5630733114222132
Energy: 0.5885644626942592
Energy: 0.590678007891774
Energy: 0.562364641524397
Energy: 0.5848884572442418
Energy: 0.6120727336706481
Energy: 0.6900734650407376
Energy: 0.5664027509729582
Energy: 0.680777421830082
Energy: 0.680777421830082
Energy: 0.565962192344493
Energy: 0.6896593968561254
Energy: 0.5935389499164702
Energy: 0.717168508171492
Energy: 0.5634209569126462
Energy: 0.5881920332823926
Energy: 0.5897363607729846
Energy: 0.5629607025360057
Energy: 0.5844816117218931
Energy: 0.5919210554227599
Energy: 0.7032085478094255
Energy: 0.5647073228193104
Energy: 0.5876491278876574
Energy: 0.5626423932284833
Energy: 0.5654914910930297
Energy: 0.7020398465467778
Energy: 0.5925638249797717
Energy: 0.6903113665195368
Energy: 0.5633103593782502
Energy: 0.5628835180061125
Energy: 0.5622621105131586
Energy: 0.5620288156741877
Energy: 0.6901059847608372
Energy: 0.5940658991758113
Energy: 0.5940658991758113
Energy: 0.5832825687095813
Energy: 0.589326511974261
Energy: 0.5913941178023469
Energy: 0.5853213977720555
Energy: 0.5863832487815237
Energy: 0.606881231905181
Energy: 0.6889740686623903
Energy: 0.5658932918895594
Energy: 0.5609402235459967
Energy: 0.5609891761666809
Energy: 0.5620288954266982
Energy: 0.6886214011024245
Energy: 0.592270284887217
Energy: 0.7149937588011978
Energy: 0.565418650548285
Energy: 0.5872131602431166
Energy: 0.580885048142775
Energy: 0.5639176833438442
Energy: 0.5826568416644115
Energy: 0.5926761283104057
Energy: 0.6983581052074598
Energy: 0.5648505378948193
Energy: 0.5874220673371668
Energy: 0.589923328923466
Energy: 0.5645492324904595
Energy: 0.5825388309114061
Energy: 0.6071501176632509
Energy: 0.6887815378820451
Energy: 0.5632411489387428
Energy: 0.5619268913997658
Energy: 0.5612804203598899
Energy: 0.5619604628646963
Energy: 0.6891609524972878
Energy: 0.5941390898799147
Energy: 0.5941390898799147
Energy: 0.5855488067346709
Energy: 0.5898998834388246
Energy: 0.5915560424585115
Energy: 0.5860204913832023
Energy: 0.5876218690585596
Energy: 0.5935698818075379
Energy: 0.6892934540896971
Energy: 0.5623896816430409
Energy: 0.5627115594527399
Energy: 0.5619114865284268
Energy: 0.5622605639198779
Energy: 0.6896243490724471

minimum gb energy = 0.5606578134650109 eV
minimum distance =  2.68284936890059 Angstroms
sigma value = 23