Model name: model_name=EAM_QuinticClampedSpline_Kim_2021_PtAu__MO_463728687265_001
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=4.153699994087219
cohesive_energy=3.033309598728601
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, -4.4311559384201394e-18, -6.738738900837659e-18, -1.06572784252095e-17, -1.7790569343936e-17, -3.20589135756864e-17, -6.47106325059528e-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: 0.010853136743384676
Energy: 0.012176924823609023
Energy: 0.19873493377858914
Energy: 0.4215737261760604
Energy: 0.4224093039244785
Energy: 0.1626896552069316
Energy: 0.012422535227389344
Energy: 0.011263170102385846
Energy: 0.46561156862033465
Energy: 0.12256344938739804
Energy: 0.2904284321141659
Energy: 0.28960516690078036
Energy: 0.011644289736191284
Energy: 0.06000090565967622
Energy: 0.011097523171974107
Energy: 0.42228341363146077
Energy: 0.2776062761122707
Energy: 0.38677549560302493
Energy: 0.34975417007179876
Energy: 0.05901060932364272
Energy: 0.059883690773525074
Energy: 0.012441059306943027
Energy: 0.2892612539559199
Energy: 0.27735084284357553
Energy: 0.42132229061610593
Energy: 0.4227089561023963
Energy: 0.05939347432018818
Energy: 0.011372578292090903
Energy: 0.05972470466562409
Energy: 0.46879149500121553
Energy: 0.12254557815071157
Energy: 0.2914006628829692
Energy: 0.35496201026703295
Energy: 0.011416872508320516
Energy: 0.05966477479028668
Energy: 0.011097193286240344
Energy: 0.288913121921499
Energy: 0.3895192644932011
Energy: 0.3848377358557023
Energy: 0.3490264170793164
Energy: 0.058841811157895205
Energy: 0.06000387146995021

minimum gb energy = 0.010853136743384676 eV
minimum distance =  2.91023767188313 Angstroms
sigma value = 5


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

Energy: 0.6363803784054106
Energy: 0.7107638446412206
Energy: 0.6385435039054523
Energy: 0.6870107595579901
Energy: 0.6832610192669953
Energy: 0.5700307159489787
Energy: 0.7099915227326064
Energy: 0.5789288152803924
Energy: 0.6260135907475912
Energy: 0.5866008475271177
Energy: 0.645503812480738
Energy: 0.6064654511993148
Energy: 0.6017957163273956
Energy: 0.6253440685329572
Energy: 0.5899114771418005
Energy: 0.6011425350025675
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Energy: 0.5824944032289859
Energy: 0.6361982702187909
Energy: 0.5991469192041916
Energy: 0.5678980117919163
Energy: 0.6202146366276875
Energy: 0.5832903923035466
Energy: 0.6410728703824286
Energy: 0.6407448384535898
Energy: 0.577209839521611
Energy: 0.6017540500167492
Energy: 0.5866740474326
Energy: 0.5978037494636538
Energy: 0.5804741749758386
Energy: 0.615068039899016
Energy: 0.6257643995848988
Energy: 0.5940455913812291
Energy: 0.6230314082120563
Energy: 0.6058414312027194
Energy: 0.6181884476854904
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Energy: 0.6045901791946409
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Energy: 0.6382730834777042
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Energy: 0.6119051861759068
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Energy: 0.6342704165525955
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Energy: 0.6301696617983935
Energy: 0.6332566787410783
Energy: 0.6034593344948791
Energy: 0.6542149644282929
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Energy: 0.599830112932812
Energy: 0.5946960722646459
Energy: 0.6036908296643775
Energy: 0.6315022996539742
Energy: 0.6400210114809819
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Energy: 0.6325381046546151
Energy: 0.5966896604305366
Energy: 0.6618399858911739
Energy: 0.603874620620042
Energy: 0.6037540992661239
Energy: 0.6067957036004024
Energy: 0.581247486468079
Energy: 0.6310236479499891
Energy: 0.613727065330039
Energy: 0.5805581736711678
Energy: 0.58531673328686
Energy: 0.6489462360007654
Energy: 0.6327068954863729
Energy: 0.6264497990071157
Energy: 0.6283241789459614
Energy: 0.6136060241398802
Energy: 0.6249684368230097
Energy: 0.6435987797335884
Energy: 0.5661411744428884
Energy: 0.6409463261153526
Energy: 0.5935941336582224
Energy: 0.6480904878079834
Energy: 0.6185852738619697
Energy: 0.5870191810442014
Energy: 0.6032279406645293
Energy: 0.6520549136256608
Energy: 0.6147851425998777
Energy: 0.5943601250722591
Energy: 0.6192170333088156
Energy: 0.6341449670308668
Energy: 0.6042227381672487
Energy: 0.5941194065247
Energy: 0.5939324724626394
Energy: 0.6078579244929647
Energy: 0.5871259370406736
Energy: 0.6205395775232295
Energy: 0.6402905194076045
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Energy: 0.6410497744543675
Energy: 0.6325408392212847
Energy: 0.6270292876968853
Energy: 0.6167914246061452
Energy: 0.6449897803504592

minimum gb energy = 0.5651833010743126 eV
minimum distance =  2.67006698017804 Angstroms
sigma value = 401


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

Energy: 0.5949134290504112
Energy: 0.584240523017622
Energy: 0.622725142351338
Energy: 0.5726214144276847
Energy: 0.7081596750221946
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Energy: 0.5709766739465564
Energy: 0.571882050364215
Energy: 0.6548631358939431
Energy: 0.6300757199881986
Energy: 0.6132269374857574
Energy: 0.5769080472836855
Energy: 0.57628120701963
Energy: 0.5661192818546015
Energy: 0.5696217588463613
Energy: 0.6115556243011656
Energy: 0.5859504545513242
Energy: 0.6174407662037271
Energy: 0.636544976485627
Energy: 0.5740277586173638
Energy: 0.5918640397506448
Energy: 0.6326182355088099
Energy: 0.6473888819223775
Energy: 0.5894240821908968
Energy: 0.5993345382781978
Energy: 0.5989190665202847
Energy: 0.5919839759913547
Energy: 0.6030316464733231
Energy: 0.6258408520897719
Energy: 0.6067735512924836
Energy: 0.5995164801371465
Energy: 0.6184087732017141
Energy: 0.6068686521135847
Energy: 0.5802795943706278
Energy: 0.6301234399276029
Energy: 0.5807065768271596
Energy: 0.5939235570373043
Energy: 0.577770536988428
Energy: 0.5951000753276849
Energy: 0.6060817046103187
Energy: 0.6111851617361693
Energy: 0.578286959119747
Energy: 0.5763997201761667
Energy: 0.5852670007313379
Energy: 0.5766505083335578
Energy: 0.60637163403592
Energy: 0.6133445173897365
Energy: 0.5815401302650006
Energy: 0.6337867676940538
Energy: 0.5783177442592747
Energy: 0.5810629653705386
Energy: 0.5897389476617406
Energy: 0.5921769653595477
Energy: 0.6056543157699176
Energy: 0.5856581422197652
Energy: 0.5900979231097226
Energy: 0.61121306772757
Energy: 0.5993564472666941
Energy: 0.6616976111503421
Energy: 0.620836283932135
Energy: 0.6142147404977851
Energy: 0.5867871915948167
Energy: 0.599954435230984
Energy: 0.6095211541760602
Energy: 0.6099794339226894
Energy: 0.5814581925981613
Energy: 0.6050515222315196
Energy: 0.5954857753467822
Energy: 0.5804999443355974
Energy: 0.5988699858816462
Energy: 0.5829660058508483
Energy: 0.6572022446632233
Energy: 0.6558248475396489
Energy: 0.617818874543653
Energy: 0.6053915563631311
Energy: 0.5924109517342816
Energy: 0.568115767632919
Energy: 0.6755128882211803
Energy: 0.6471101306295748
Energy: 0.6273208495725603
Energy: 0.6053202209487618
Energy: 0.5816466708576845
Energy: 0.5794639313486433
Energy: 0.5665138123845237
Energy: 0.5748785898178137
Energy: 0.6409997479638636
Energy: 0.5816454083229042
Energy: 0.6085448097477476
Energy: 0.63937207265442
Energy: 0.5886237260921946
Energy: 0.5708697860388539
Energy: 0.6313857940882365
Energy: 0.6275821773266586
Energy: 0.5922410553009354
Energy: 0.6112396607222744
Energy: 0.5980836883187016
Energy: 0.5986659994418109
Energy: 0.5875505360318685
Energy: 0.6282195230842272
Energy: 0.6009026060440636
Energy: 0.6197986747697951
Energy: 0.6039459620201684
Energy: 0.6090776439657825
Energy: 0.5783627355725706
Energy: 0.6397417085379979
Energy: 0.5848563555369677
Energy: 0.586332188388793
Energy: 0.5884955452366474
Energy: 0.5935966828217333
Energy: 0.6023486270461424
Energy: 0.6262202866381739
Energy: 0.5717118239456467
Energy: 0.5924835716093225
Energy: 0.6030309808831606

minimum gb energy = 0.5661192818546015 eV
minimum distance =  2.6764925001137 Angstroms
sigma value = 311


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

Energy: 0.6505936606787335
Energy: 0.5746725300106988
Energy: 0.6096126653487494
Energy: 0.6051514436642751
Energy: 0.575805028598795
Energy: 0.5750238190182345
Energy: 0.6269414095537947
Energy: 0.5857310097782626
Energy: 0.6123550663112327
Energy: 0.5842013158792629
Energy: 0.5813677990494592
Energy: 0.5878834385898933
Energy: 0.5902564398532054
Energy: 0.6203500058379395
Energy: 0.6217875376854572
Energy: 0.5795034116209804
Energy: 0.6073290898789413
Energy: 0.6023528399976338
Energy: 0.5968132531895405
Energy: 0.5989962887826713
Energy: 0.5836389375680966
Energy: 0.5909711389423269
Energy: 0.6352068037903285
Energy: 0.5853589527313825
Energy: 0.6299857909814803
Energy: 0.6024062348015393
Energy: 0.5706442938510629
Energy: 0.6083422812880103
Energy: 0.6090822836898517
Energy: 0.5977050366971481
Energy: 0.6009294538742402
Energy: 0.6402170100920795
Energy: 0.5856078589032029
Energy: 0.6336292143393787
Energy: 0.5929557475408139
Energy: 0.5790865264106757
Energy: 0.5708433039997436
Energy: 0.586363637257729
Energy: 0.5863616742286936
Energy: 0.581449103235394
Energy: 0.5808311064945092
Energy: 0.5839273529950567
Energy: 0.5956579440546091
Energy: 0.5698697705746512
Energy: 0.6132912076203484
Energy: 0.5761193125327873
Energy: 0.606739565346936
Energy: 0.5915933817158641
Energy: 0.5560320427407948
Energy: 0.6011709083993518
Energy: 0.5830883771808966
Energy: 0.5953349633463756
Energy: 0.6077518078955548
Energy: 0.6211050282213659
Energy: 0.6179774374579502
Energy: 0.6091423253696252
Energy: 0.6006798366043573
Energy: 0.5849174086346866
Energy: 0.617735762691489
Energy: 0.5757061514783316
Energy: 0.5839024832744569
Energy: 0.5857771980959895
Energy: 0.6069176265603994
Energy: 0.5762168087199485
Energy: 0.6074425852517565
Energy: 0.6030474910020821
Energy: 0.6013252034912844
Energy: 0.5934007053693734
Energy: 0.6083396914204761
Energy: 0.599860085996199
Energy: 0.5958181415184507
Energy: 0.5939510498276107
Energy: 0.5824395980148159
Energy: 0.6379942883387544
Energy: 0.5972756530183084
Energy: 0.6439653598642235
Energy: 0.5855502403467485
Energy: 0.583043876721854
Energy: 0.5669783871392965
Energy: 0.5826478601399657
Energy: 0.5882761470884088
Energy: 0.5844721000107711
Energy: 0.570982922948117
Energy: 0.5907522622950647
Energy: 0.6103281418912611
Energy: 0.6097757010921988
Energy: 0.6002767749307273
Energy: 0.5777611033319868
Energy: 0.6001828935082837
Energy: 0.5727779410926298
Energy: 0.5947349916120992
Energy: 0.6117870442982851
Energy: 0.6564465301547616
Energy: 0.6053543733725083
Energy: 0.6037075901467502
Energy: 0.6217742559926936
Energy: 0.6324702192281081
Energy: 0.6175450267292009
Energy: 0.5888369832198043
Energy: 0.5965004029189249
Energy: 0.590387520849352
Energy: 0.5893535416844382
Energy: 0.5962116702040123
Energy: 0.5910641369831305
Energy: 0.5860905221935702
Energy: 0.575120721868421
Energy: 0.5977507822860283
Energy: 0.6103739449683149
Energy: 0.5913056008437179
Energy: 0.6198677514568884
Energy: 0.5754544697719888
Energy: 0.5816666896456824
Energy: 0.6372739811380718
Energy: 0.591159518060031
Energy: 0.5752114123050557
Energy: 0.6337359063025306
Energy: 0.6020256228226925
Energy: 0.5949429383169106
Energy: 0.5911018833989468
Energy: 0.5747858326595099
Energy: 0.5978073796254809
Energy: 0.5785916406465779
Energy: 0.6098656507447955
Energy: 0.5844194300390316
Energy: 0.5497215806583969
Energy: 0.5769525696133178
Energy: 0.6342794475948658
Energy: 0.581377033338247
Energy: 0.5798652434898441
Energy: 0.6023065287431796
Energy: 0.5580280789686224
Energy: 0.5723103078871696
Energy: 0.6232519813038693
Energy: 0.6193190737150681
Energy: 0.624957379600279
Energy: 0.5793409570285047
Energy: 0.6290655090129819
Energy: 0.6353182067522243
Energy: 0.5884228075558401
Energy: 0.6097462284466149
Energy: 0.6156983938707158
Energy: 0.5829924391924606
Energy: 0.5781163365339969
Energy: 0.5842976075141048
Energy: 0.5954702280686099
Energy: 0.5708581391603942
Energy: 0.5884391584785866
Energy: 0.582100172607411
Energy: 0.6051118936461605
Energy: 0.5922135856751359
Energy: 0.5932724132100261
Energy: 0.6082266393602364
Energy: 0.5784415731241502
Energy: 0.5807161628455154
Energy: 0.6569060636603505
Energy: 0.6015623374234609
Energy: 0.5971081938330806
Energy: 0.6349234364504185
Energy: 0.5828394055532207
Energy: 0.6334115160736413
Energy: 0.5966942197531795
Energy: 0.5783697719508318
Energy: 0.5976937733117206
Energy: 0.5851389505169233
Energy: 0.5801429277215701
Energy: 0.5914330901658996
Energy: 0.5816868230997221
Energy: 0.587646417392389
Energy: 0.5984604151609036
Energy: 0.5730127171130989
Energy: 0.6144602726280063
Energy: 0.5764858998973972
Energy: 0.5819971314369865
Energy: 0.5716259392586068
Energy: 0.5929662730999229
Energy: 0.6024134769890938
Energy: 0.6136943692996397
Energy: 0.5948469668880708
Energy: 0.6247879053966237
Energy: 0.6214716772413287
Energy: 0.6346061082480957
Energy: 0.6257366661370767
Energy: 0.5916314540527569
Energy: 0.5870771089889342
Energy: 0.5774981401271682
Energy: 0.5926835772300239
Energy: 0.5868603128505867
Energy: 0.602875385649408
Energy: 0.58738605886326
Energy: 0.5679859238941013
Energy: 0.6029495500918727
Energy: 0.5797601685464497
Energy: 0.6101328117137473
Energy: 0.5849757096204812
Energy: 0.6016086336053214
Energy: 0.5944928214628266
Energy: 0.6252165614061056
Energy: 0.5934267649991793
Energy: 0.5896147878842252
Energy: 0.6177924271693545
Energy: 0.5802594243364636
Energy: 0.6366071870058326
Energy: 0.5970616099613735
Energy: 0.5916718426393929
Energy: 0.5917259403933843
Energy: 0.6188907596501723
Energy: 0.593945134194392
Energy: 0.6121064332635526
Energy: 0.5762127806291083
Energy: 0.5835380996104717
Energy: 0.602289384259487
Energy: 0.5890356501413109
Energy: 0.6086258736005082
Energy: 0.5761188899028256
Energy: 0.5749049133644043
Energy: 0.577026102804591
Energy: 0.6045534405024133
Energy: 0.5913919130056567
Energy: 0.5962005514744616
Energy: 0.6050891242709103
Energy: 0.6329504908760596
Energy: 0.6209121827116306
Energy: 0.6176590124046215
Energy: 0.5963086234822377
Energy: 0.6115021843340592
Energy: 0.5770976543013155
Energy: 0.5968967430292649
Energy: 0.5932384117642567
Energy: 0.6400487672225967
Energy: 0.5752318411976671
Energy: 0.5963238732903299
Energy: 0.5806134340917872
Energy: 0.5781353224033383
Energy: 0.5761317575359484
Energy: 0.5985437590892859
Energy: 0.6055315977277518
Energy: 0.5766595440379769
Energy: 0.5891708620780794
Energy: 0.5865150849424374
Energy: 0.5966830647265159
Energy: 0.5730506456058413
Energy: 0.6235046583493741
Energy: 0.5955089875993742
Energy: 0.6244925831448893
Energy: 0.5961490901690933
Energy: 0.5827811287313067
Energy: 0.6016750091705725
Energy: 0.6282007905136188
Energy: 0.6130618989820736
Energy: 0.5951331591036526
Energy: 0.5728988464723018
Energy: 0.6269809253860337

minimum gb energy = 0.5497215806583969 eV
minimum distance =  2.64101807789381 Angstroms
sigma value = 39


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

Energy: 0.5470744995289195
Energy: 0.5331643128733496
Energy: 0.613652002675853
Energy: 0.6475400155478457
Energy: 0.5993612455208537
Energy: 0.6237048994347605
Energy: 0.53143132398919
Energy: 0.5313585230192055
Energy: 0.585355825973129
Energy: 0.6089340871393837
Energy: 0.5797090584862314
Energy: 0.5565476588851488
Energy: 0.5722297437700167
Energy: 0.5831779702392115
Energy: 0.5734306081766508
Energy: 0.5691810475077591
Energy: 0.5685197581133408
Energy: 0.573294747937536
Energy: 0.5562157535312772
Energy: 0.5717816662771436
Energy: 0.5824172236046568
Energy: 0.5698531681514681
Energy: 0.5623464372450401
Energy: 0.5603507499750264
Energy: 0.5610423535579491
Energy: 0.580588417232445
Energy: 0.5697509312492727
Energy: 0.6082731716380506
Energy: 0.572829938472016
Energy: 0.5552629216236776
Energy: 0.5725027190090105
Energy: 0.5705768458041831
Energy: 0.616735190380651
Energy: 0.5414159920350131
Energy: 0.5720271346726669
Energy: 0.5318166357616436
Energy: 0.5561597864725144
Energy: 0.5674048939624546
Energy: 0.5584053719580756
Energy: 0.5923723518427557
Energy: 0.5900753227825833
Energy: 0.6263074869858634
Energy: 0.5772292862483701
Energy: 0.6006772143936343
Energy: 0.5639624878275014
Energy: 0.6177263945875463
Energy: 0.532292776134953
Energy: 0.5333953550155067
Energy: 0.5832150384406528
Energy: 0.5326903664287874
Energy: 0.5876871072414499
Energy: 0.6153773312673095
Energy: 0.5528666173149845
Energy: 0.6284153941644235
Energy: 0.5743214299044659
Energy: 0.5724245552976615
Energy: 0.5328431170155843
Energy: 0.5870163635744127
Energy: 0.5823625692943531
Energy: 0.5512045492277647
Energy: 0.5547501384885597
Energy: 0.5421066721919291
Energy: 0.6254312956413397
Energy: 0.5778443016231981
Energy: 0.57924242426405
Energy: 0.568419298576549
Energy: 0.5814226143975094
Energy: 0.5569522810084941
Energy: 0.5722685093170041
Energy: 0.5714532472641913
Energy: 0.5723518752896946
Energy: 0.5512511247247047
Energy: 0.5685698275120553
Energy: 0.5506641351944626
Energy: 0.56237568555183
Energy: 0.5725528821599825
Energy: 0.6102732476976678
Energy: 0.5862673751287574
Energy: 0.5552549414109605
Energy: 0.55003981869972
Energy: 0.5524366148383106
Energy: 0.5804319792811504
Energy: 0.5691822800219655
Energy: 0.5849507320421788
Energy: 0.5314535881681369
Energy: 0.5558460740970507
Energy: 0.5958308913287864
Energy: 0.5682380965919742
Energy: 0.5740902857705137
Energy: 0.573099810120715
Energy: 0.5714140055435306
Energy: 0.5797447037043131
Energy: 0.5692975036511043
Energy: 0.5694448562013767
Energy: 0.6059285430614877
Energy: 0.5334148047526076
Energy: 0.5325221988427354
Energy: 0.5820523416536761
Energy: 0.5315471723328838
Energy: 0.5851483553163737
Energy: 0.5667975765254984
Energy: 0.5933243322042829
Energy: 0.5311548123098535
Energy: 0.5319105630357909
Energy: 0.5836797488032667
Energy: 0.5310136162138681
Energy: 0.591662382661549
Energy: 0.6551719257437193
Energy: 0.5699284117885105
Energy: 0.5991239138614236
Energy: 0.6108702783221407
Energy: 0.5314255299234862
Energy: 0.5716661110489062
Energy: 0.5854068310579577
Energy: 0.6088390605129466
Energy: 0.5797373152300322
Energy: 0.5566754577418124
Energy: 0.5723928484728888
Energy: 0.5829951921665963
Energy: 0.5721614119592763
Energy: 0.5627483153024316
Energy: 0.607857994917988
Energy: 0.5759688003230965
Energy: 0.5563765908290764
Energy: 0.5718640482747416
Energy: 0.5824394019502762
Energy: 0.5699108477989959
Energy: 0.561139352308904
Energy: 0.5635631858399183
Energy: 0.5610837320786284
Energy: 0.5807507313353717
Energy: 0.5674052984183138
Energy: 0.6535269404134821
Energy: 0.574004206598211
Energy: 0.5553356177769009
Energy: 0.5724769373805021
Energy: 0.5705902215976434
Energy: 0.5930542805331772
Energy: 0.5421194838913852
Energy: 0.5718100424658389
Energy: 0.5318562209925578
Energy: 0.555043076160287
Energy: 0.5671818223079077
Energy: 0.5581545673870453
Energy: 0.5921758007637893
Energy: 0.5385510594263518
Energy: 0.6263857112879684
Energy: 0.577280923155464
Energy: 0.5515083949914961
Energy: 0.5644220236656364
Energy: 0.6178711585598032
Energy: 0.5323427134414801
Energy: 0.5334640606495126
Energy: 0.5813931707501752
Energy: 0.5324534026260415
Energy: 0.5873070955543486
Energy: 0.5928420148939346
Energy: 0.5521953919225064
Energy: 0.6287468549279444
Energy: 0.5743161859064583
Energy: 0.5716609982771149
Energy: 0.5330699746755775
Energy: 0.5869037805250666
Energy: 0.5820641337452325
Energy: 0.5537909583469401
Energy: 0.5542930600744058
Energy: 0.542256002324802
Energy: 0.6261572455916141
Energy: 0.5773253765700823
Energy: 0.5518453810613553
Energy: 0.5678564144309024
Energy: 0.5729704916746347
Energy: 0.5567154300618079
Energy: 0.572413775546015
Energy: 0.5713554112805707
Energy: 0.5722377333980007
Energy: 0.5508658418091144
Energy: 0.5687486963156447
Energy: 0.5507054527262043
Energy: 0.5624955459877806
Energy: 0.5675322571539273
Energy: 0.609206841268339
Energy: 0.5866252747290421
Energy: 0.5552149580826948
Energy: 0.5501179606257356
Energy: 0.5526319146372739
Energy: 0.5808555154673892
Energy: 0.5697017527946094
Energy: 0.5848883857912105
Energy: 0.5316139424440718
Energy: 0.554854614458932
Energy: 0.5952352544994998
Energy: 0.5682785531045137
Energy: 0.5741295293725793
Energy: 0.5730601559382265
Energy: 0.5717002868661991
Energy: 0.57951069414051
Energy: 0.5691528043564581
Energy: 0.569468635856235
Energy: 0.6055965986008733
Energy: 0.5335747005365363
Energy: 0.5324961222882935
Energy: 0.5702328387828429
Energy: 0.5424169348700879
Energy: 0.5844878698648833
Energy: 0.5635485230168306
Energy: 0.5539791407320448
Energy: 0.5312809958191274
Energy: 0.531636945887098
Energy: 0.5845321102342393

minimum gb energy = 0.5310136162138681 eV
minimum distance =  2.72179393844763 Angstroms
sigma value = 21


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

Energy: 0.6879032933064065
Energy: 0.6404923975124271
Energy: 0.6827827018630039
Energy: 0.729434387169184
Energy: 0.6090110908776384
Energy: 0.5702685733476375
Energy: 0.6310874856500954
Energy: 0.5905875496356152
Energy: 0.5915567165124477
Energy: 0.6457551120962648
Energy: 0.5098475742955472
Energy: 0.5512565821160403
Energy: 0.6192914174089906
Energy: 0.5777208366911705
Energy: 0.5759611911494267
Energy: 0.5377321631942196
Energy: 0.5864832356109797
Energy: 0.5490878332701996
Energy: 0.6098592013682748
Energy: 0.5531668360880672
Energy: 0.5736262451127452
Energy: 0.5475425276772263
Energy: 0.5430269863911955
Energy: 0.6017585073378079
Energy: 0.6330784437400631
Energy: 0.5749005761133483
Energy: 0.5702644983111523
Energy: 0.6314962203449351
Energy: 0.5469539720991495
Energy: 0.5255314292005059
Energy: 0.5859565373709753
Energy: 0.5428113603277265
Energy: 0.5556462195302986
Energy: 0.5663017070322013
Energy: 0.5739542786589249
Energy: 0.531733804191372
Energy: 0.532131575573586
Energy: 0.5712986967370351
Energy: 0.5469523371706292
Energy: 0.5507656291915711
Energy: 0.5594690521110369
Energy: 0.565193366242994
Energy: 0.5471507169867411
Energy: 0.5515030364064346
Energy: 0.57119135325174
Energy: 0.5265402152047405
Energy: 0.531509881837995
Energy: 0.5316699230702718
Energy: 0.571635391992681
Energy: 0.5869302906262713
Energy: 0.5570586765474962
Energy: 0.5866523562016731
Energy: 0.5823213916162671
Energy: 0.5314358878547977
Energy: 0.5520008204065114
Energy: 0.5776121568196839
Energy: 0.5698262919093343
Energy: 0.5433310234274578
Energy: 0.5861361158414709
Energy: 0.5391521816328396
Energy: 0.5478580764813628
Energy: 0.5621882432491412
Energy: 0.5658491603949203
Energy: 0.6293209912075282
Energy: 0.5578018441860931
Energy: 0.5791859816352216
Energy: 0.6314865966456745
Energy: 0.5827334558921609
Energy: 0.5700574758109492
Energy: 0.5628983253605656
Energy: 0.5627052010896727
Energy: 0.5480315321377082
Energy: 0.571145634855544
Energy: 0.5455539043419313
Energy: 0.5821184401692765
Energy: 0.5310925965929476
Energy: 0.5762097909958289
Energy: 0.5845510781554386
Energy: 0.5948020055609069
Energy: 0.6379692666708348
Energy: 0.645406888553665
Energy: 0.5960432291451645
Energy: 0.586633561594342
Energy: 0.6459247665783167
Energy: 0.5315325684671227
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Energy: 0.6191957889469403
Energy: 0.6769501757843344
Energy: 0.6108426944285709
Energy: 0.5688688511448529
Energy: 0.6187693706761634
Energy: 0.5320260766503144
Energy: 0.5557923651792551
Energy: 0.5782963104858744
Energy: 0.5538471692404743
Energy: 0.5539354338821061
Energy: 0.6343562482143373
Energy: 0.5772579828768144
Energy: 0.5918031449996901
Energy: 0.5373149167142748
Energy: 0.5714846772226215
Energy: 0.5098141356898145
Energy: 0.6787890776282174
Energy: 0.5468700203132175
Energy: 0.6476838200676699
Energy: 0.6097219183311204
Energy: 0.5433511415213226
Energy: 0.5986341557110897
Energy: 0.591808526479478
Energy: 0.5766496970566012
Energy: 0.5853801721451444
Energy: 0.628022266615076
Energy: 0.555520755020785
Energy: 0.5634740033836374
Energy: 0.5687315482144928
Energy: 0.5403749778870998
Energy: 0.51018148733961
Energy: 0.558808884706989
Energy: 0.5740251571609015
Energy: 0.5318233118712111
Energy: 0.5354770387762808
Energy: 0.5322912670905918
Energy: 0.5752471084086669
Energy: 0.5518546749867339
Energy: 0.5724152186981807
Energy: 0.574353237425499
Energy: 0.5318658513296349
Energy: 0.5515171246741986
Energy: 0.5788234835741957
Energy: 0.547649712086189
Energy: 0.5315103594148249
Energy: 0.5318825577264659
Energy: 0.5653606850349894
Energy: 0.606063128072488
Energy: 0.5556101507461507
Energy: 0.584377069863311
Energy: 0.5889956022229308
Energy: 0.5319455858876176
Energy: 0.5466770257796547
Energy: 0.5738663623545831
Energy: 0.578932132049527
Energy: 0.573027727649724
Energy: 0.6035884776727045
Energy: 0.6627226482579396
Energy: 0.6371492385161664
Energy: 0.5741772480738808
Energy: 0.5747820871115169
Energy: 0.5481789660200772
Energy: 0.5375222391059153
Energy: 0.5713159324819675
Energy: 0.5836924466646525
Energy: 0.5130421010807293
Energy: 0.5896856538795076
Energy: 0.5604465949931429
Energy: 0.621319445214678
Energy: 0.5376858997861552
Energy: 0.6227037063247621
Energy: 0.6753973135892825
Energy: 0.5764561689694069
Energy: 0.6464592738729759
Energy: 0.6223697256701526
Energy: 0.5771161072821247
Energy: 0.5373116984866159
Energy: 0.6080491537423676
Energy: 0.5866572677703504
Energy: 0.662581984609193
Energy: 0.6535864387166228
Energy: 0.6458790666102538
Energy: 0.5319102532149286
Energy: 0.6229020210208418
Energy: 0.6297864103096638
Energy: 0.553925623198846
Energy: 0.5766621178780592
Energy: 0.5915382674557929
Energy: 0.5620578725124281

minimum gb energy = 0.5098141356898145 eV
minimum distance =  2.70045376250651 Angstroms
sigma value = 113


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

Energy: 0.6396981083568699
Energy: 0.7295354468401304
Energy: 0.710161776247985
Energy: 0.6867971349075752
Energy: 0.6988602258931984
Energy: 0.6596079540237871
Energy: 0.7294765341357019
Energy: 0.6552560375486914
Energy: 0.7124939731499201
Energy: 0.669749395108828
Energy: 0.7467144593238081
Energy: 0.7252398668100783
Energy: 0.7110445398786489
Energy: 0.6304558763141329
Energy: 0.6528319655890724
Energy: 0.7241784683271187
Energy: 0.6295442609280342
Energy: 0.6960022804079362
Energy: 0.657853055221203
Energy: 0.6428422138054054
Energy: 0.6408427628207488
Energy: 0.6647775577954654
Energy: 0.7054569226509677
Energy: 0.6607243767634017
Energy: 0.6530270586278105
Energy: 0.6853522882670009
Energy: 0.6704605026101171
Energy: 0.7183036191670802
Energy: 0.6276200297809629
Energy: 0.721731632415008
Energy: 0.6242484584947586
Energy: 0.6781439638289124
Energy: 0.6516229471779629
Energy: 0.6195446380321236
Energy: 0.6742964234958795
Energy: 0.6012416005654093
Energy: 0.630646340723549
Energy: 0.6587535478987971
Energy: 0.6294479211590436
Energy: 0.6088650879199398
Energy: 0.6165176822865873
Energy: 0.6414516964228821
Energy: 0.6137451249999274
Energy: 0.6385012367300025
Energy: 0.6244377690731403
Energy: 0.5988390283412475
Energy: 0.6508647817615099
Energy: 0.6426207665413786
Energy: 0.6487511175994851
Energy: 0.5758768254711056
Energy: 0.6009421388375819
Energy: 0.5925785149191167
Energy: 0.7031438730284111
Energy: 0.6662275633787648
Energy: 0.6310947050050436
Energy: 0.6084758714927401
Energy: 0.5571579058993342
Energy: 0.5917707383109714
Energy: 0.6571009066660195
Energy: 0.5773446795097796
Energy: 0.5853499502948604
Energy: 0.6807669276636255
Energy: 0.6763385820692684
Energy: 0.6557862887071031
Energy: 0.6336745242121321
Energy: 0.5969790034773804
Energy: 0.5855291371408603
Energy: 0.5870649522436191
Energy: 0.6406280573900336
Energy: 0.6318333689757887
Energy: 0.6590261989199508
Energy: 0.5772748254608085
Energy: 0.5624433701373125
Energy: 0.6008828770510949
Energy: 0.5895372823944541
Energy: 0.6364764483408176
Energy: 0.6413353602321166
Energy: 0.559669073114215
Energy: 0.6183083780800366
Energy: 0.6104263325880863
Energy: 0.6673114281689146
Energy: 0.6404171285263202
Energy: 0.6576000645054596
Energy: 0.6544681536861274
Energy: 0.5960018196441518
Energy: 0.5800671163428165
Energy: 0.569559162341437
Energy: 0.6649097440523936
Energy: 0.6524993455325796
Energy: 0.620386876489511
Energy: 0.5950785600573681
Energy: 0.6399018838089835
Energy: 0.6172561037717882
Energy: 0.6129356943085909
Energy: 0.5982609740964588
Energy: 0.6056574844499596
Energy: 0.6186465012100998
Energy: 0.5896555415749762
Energy: 0.5758992658413461
Energy: 0.6246839180845362
Energy: 0.6376014857674008
Energy: 0.6111913647682398
Energy: 0.5834169245415229
Energy: 0.6032641394450482
Energy: 0.6208623623940831
Energy: 0.6378281082387715
Energy: 0.6436461075447595
Energy: 0.597391236419775
Energy: 0.6435297595357234
Energy: 0.6302810049034657
Energy: 0.6278717057908821
Energy: 0.6648702092156823
Energy: 0.6183029714462245
Energy: 0.7055549452368088
Energy: 0.6399999469100239
Energy: 0.6214240891624924
Energy: 0.6467763613472032
Energy: 0.6689077192719334
Energy: 0.6910885695664921
Energy: 0.6312528582136334
Energy: 0.6703166893577616
Energy: 0.6450979735748781
Energy: 0.6759714639952192
Energy: 0.6398329799185286
Energy: 0.6667246885371444
Energy: 0.6381035049234666
Energy: 0.6419469704713453
Energy: 0.7157115609347191
Energy: 0.6504583799840622
Energy: 0.6366302496418086
Energy: 0.6764286579193665
Energy: 0.6453342748236162
Energy: 0.6481686721036022
Energy: 0.66449612044189
Energy: 0.6808904070998314
Energy: 0.6650711624047083
Energy: 0.683948163863026
Energy: 0.6534932547747424
Energy: 0.6732338386881425
Energy: 0.6506752911496225
Energy: 0.6216131923427946
Energy: 0.6611143154007219
Energy: 0.6013824597567451
Energy: 0.6933182995073501
Energy: 0.6293885740925285
Energy: 0.6413398542001354
Energy: 0.6346919552331196
Energy: 0.6108309990305469
Energy: 0.701726959689416
Energy: 0.6654009764610544
Energy: 0.6583600235694113
Energy: 0.5992255544166168
Energy: 0.562073192855162
Energy: 0.6299570191683409
Energy: 0.6460315160564611
Energy: 0.6942339582355131
Energy: 0.7069775576478731
Energy: 0.6058282818968264
Energy: 0.6924395406385123
Energy: 0.6716777431808605
Energy: 0.7365276187234387
Energy: 0.6524817896697557
Energy: 0.7137720126927111
Energy: 0.6338446980412863
Energy: 0.6862082400810484
Energy: 0.6931506166099186
Energy: 0.6042798306372426
Energy: 0.6275083533220593
Energy: 0.5947860633574164
Energy: 0.7215619944438486
Energy: 0.6580245343974697
Energy: 0.6606614507122436
Energy: 0.6315510804543105
Energy: 0.6662172674769499
Energy: 0.5828705643856513
Energy: 0.6505650745144043
Energy: 0.7354294839609598
Energy: 0.6605906110860135
Energy: 0.6521158273637325
Energy: 0.711724135339349
Energy: 0.6718516849687151
Energy: 0.7199803524063123
Energy: 0.575259173997651
Energy: 0.7223231386357098
Energy: 0.6194890881297225
Energy: 0.6855837303266854
Energy: 0.6501517019197829
Energy: 0.6256391945185736
Energy: 0.6748025255565177
Energy: 0.6006138214707124
Energy: 0.6334034840503785
Energy: 0.6208943796038278
Energy: 0.622377702793257
Energy: 0.6102791866609494
Energy: 0.6182362729234443
Energy: 0.6519576978185251
Energy: 0.6206756482505507
Energy: 0.638744095795609
Energy: 0.6418423083336076
Energy: 0.6400545937805555
Energy: 0.6429624998975557
Energy: 0.6185278746735524
Energy: 0.6525552576284178
Energy: 0.6034939015539902
Energy: 0.5996165927457592
Energy: 0.595934721323167
Energy: 0.7034091807845451
Energy: 0.5741430612889408
Energy: 0.5899647003100796
Energy: 0.6085274782179105
Energy: 0.5575585114258017
Energy: 0.5926000330362152
Energy: 0.5990964460161672
Energy: 0.5779766341665618
Energy: 0.6095597088020328
Energy: 0.678012244007932
Energy: 0.5675599619524719
Energy: 0.6041731231143657
Energy: 0.6691598381222721
Energy: 0.6157463262715683
Energy: 0.5845694822515007
Energy: 0.5795671213335439
Energy: 0.6514339344716655
Energy: 0.5697647476812987
Energy: 0.6575459097361014
Energy: 0.5970269530004203
Energy: 0.5913931945724823
Energy: 0.6011094720715399
Energy: 0.5594774217392282
Energy: 0.6360211473688878
Energy: 0.6418208502606847
Energy: 0.5605697022808842
Energy: 0.600517608168689
Energy: 0.6775399306629442
Energy: 0.5777353052685636
Energy: 0.6578929607874285
Energy: 0.6506501098547507
Energy: 0.5736036185262111
Energy: 0.5710692304036245
Energy: 0.5801245762083577
Energy: 0.5888996614979086
Energy: 0.6666561295044146
Energy: 0.5924322474368245
Energy: 0.6187653796428196
Energy: 0.595629433570245
Energy: 0.620031111009265
Energy: 0.6186776800734514
Energy: 0.6571664570174481
Energy: 0.5982312627800359
Energy: 0.6021654837137506
Energy: 0.6442851417964863
Energy: 0.5895367996613956
Energy: 0.5757791492075647
Energy: 0.6215414280443023
Energy: 0.6393582061830302
Energy: 0.5742973245164452
Energy: 0.5832592893275276
Energy: 0.6078354480888662
Energy: 0.6206024095842056
Energy: 0.6428820668226801
Energy: 0.6456348504399531
Energy: 0.5954125907602298
Energy: 0.6383466623145464
Energy: 0.6299718131777013
Energy: 0.6292237733888143
Energy: 0.664452813281184
Energy: 0.6134493069149372
Energy: 0.6634872988592407
Energy: 0.6401274978217316
Energy: 0.6400376256625172
Energy: 0.6586629010066021
Energy: 0.6373563236107445
Energy: 0.6440960856114932
Energy: 0.6041435186900651
Energy: 0.6704330127090495
Energy: 0.64335532950483
Energy: 0.6748454662647981
Energy: 0.6644901439885866
Energy: 0.6452364151667223
Energy: 0.6888230033530793
Energy: 0.657875459839788
Energy: 0.7145785042664167
Energy: 0.6045685032204862
Energy: 0.7307986462968615
Energy: 0.7183353650927696
Energy: 0.6023763372719091
Energy: 0.7313858886144773
Energy: 0.6649946180020493
Energy: 0.7136030648828863
Energy: 0.6648286477605667
Energy: 0.6382002725119659
Energy: 0.6529622425950833
Energy: 0.6623725139812862
Energy: 0.6927156373079001
Energy: 0.61395663639529
Energy: 0.6593917191296954
Energy: 0.600773819615224
Energy: 0.631741629808591
Energy: 0.6270230276666616
Energy: 0.6350372639116859
Energy: 0.6293538179454716
Energy: 0.606228902736943
Energy: 0.7007743057254929
Energy: 0.6645278288311072
Energy: 0.6779808063761409
Energy: 0.6062178791526404
Energy: 0.5697415063275519
Energy: 0.6742085923707694
Energy: 0.6387028173874146
Energy: 0.661539134778779
Energy: 0.7052663192751264
Energy: 0.7089242868082081
Energy: 0.6923204858309211
Energy: 0.6668934232568029
Energy: 0.6625111178153715

minimum gb energy = 0.5571579058993342 eV
minimum distance =  2.62652648225936 Angstroms
sigma value = 365


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

Energy: 0.6119351315425409
Energy: 0.5862850384859919
Energy: 0.5867881531050481
Energy: 0.5898757970499006
Energy: 0.5915433896060449
Energy: 0.5865649746927948
Energy: 0.5865297954029949
Energy: 0.6069598205095799
Energy: 0.6894193753801597
Energy: 0.5623566455434924
Energy: 0.5620571862978962
Energy: 0.5616901276631309
Energy: 0.562498463319448
Energy: 0.6887456629507183
Energy: 0.5919727396583844
Energy: 0.6998289608509973
Energy: 0.5656263319316979
Energy: 0.5824132503926841
Energy: 0.5905911619876577
Energy: 0.5649613231002903
Energy: 0.5818719787500218
Energy: 0.5923287303105179
Energy: 0.716229742740515
Energy: 0.5645563115836031
Energy: 0.587462192697861
Energy: 0.5894103369117939
Energy: 0.5629192749094638
Energy: 0.5830149989939521
Energy: 0.6112831872546493
Energy: 0.6896056092373546
Energy: 0.566558623936057
Energy: 0.6857984516027159
Energy: 0.5606830053819322
Energy: 0.565587036110331
Energy: 0.688369142276872
Energy: 0.5934206992850608
Energy: 0.7167259709537561
Energy: 0.5636500723181517
Energy: 0.5890052067619589
Energy: 0.591560527171776
Energy: 0.5833251964848135
Energy: 0.5855949789938444
Energy: 0.5923983111422543
Energy: 0.692626006952139
Energy: 0.5628648450353084
Energy: 0.5625704857268664
Energy: 0.5622511408956262
Energy: 0.5638500831128435
Energy: 0.6911790308199096
Energy: 0.5923492629555205
Energy: 0.699019582685449
Energy: 0.5641528512961084
Energy: 0.5629427946311322
Energy: 0.5629105698481934
Energy: 0.5643731769803944
Energy: 0.6961779388491082
Energy: 0.5939662307938415
Energy: 0.7178428151473704
Energy: 0.5630620516505831
Energy: 0.588565559417037
Energy: 0.5906791044810553
Energy: 0.5623669519244736
Energy: 0.584889555408143
Energy: 0.6120738129002041
Energy: 0.690074615972862
Energy: 0.5664043100815929
Energy: 0.6808425741648536
Energy: 0.6874264161034955
Energy: 0.566088344148972
Energy: 0.6896605374253806
Energy: 0.5935400255322393
Energy: 0.7171696287380844
Energy: 0.5634222178570555
Energy: 0.5881931310703309
Energy: 0.5897374609134375
Energy: 0.5629628264446057
Energy: 0.5844827110116055
Energy: 0.5919221284191665
Energy: 0.70319988811941
Energy: 0.5647085157425868
Energy: 0.5876501551804818
Energy: 0.5626435368650622
Energy: 0.5654920753710206
Energy: 0.702041083353544
Energy: 0.592564912057482
Energy: 0.690312183296175
Energy: 0.5633107464747841
Energy: 0.5624952382459507
Energy: 0.562262587096864
Energy: 0.5620297565378551
Energy: 0.6901071269799337
Energy: 0.5940669802455729
Energy: 0.7162513694703765
Energy: 0.5832836788324506
Energy: 0.5893276090904673
Energy: 0.5913952156370849
Energy: 0.5853225109878888
Energy: 0.5863843519413957
Energy: 0.6068823243617404
Energy: 0.6889752153049232
Energy: 0.56589486582945
Energy: 0.5609428219986005
Energy: 0.5609902861368533
Energy: 0.5620301296828238
Energy: 0.6886225448463273
Energy: 0.592271370974773
Energy: 0.7149960185605078
Energy: 0.5654198838831036
Energy: 0.5872142572673797
Energy: 0.5808861687128374
Energy: 0.5639204255128613
Energy: 0.5826579428913072
Energy: 0.5926772118953754
Energy: 0.6983574582801122
Energy: 0.5648513502514438
Energy: 0.5874231654953087
Energy: 0.5899244307157927
Energy: 0.5645566062953677
Energy: 0.5825399305566608
Energy: 0.6071512117958555
Energy: 0.6887826863061898
Energy: 0.563244406869825
Energy: 0.5619262750247008
Energy: 0.5612815614182189
Energy: 0.5619584119215401
Energy: 0.6891621215178992
Energy: 0.5941401829063025
Energy: 0.7140435989137726
Energy: 0.5855498997349783
Energy: 0.5899009806393506
Energy: 0.5915571396772311
Energy: 0.5860216699421823
Energy: 0.5876229635704813
Energy: 0.5935709700066171
Energy: 0.689294602383165
Energy: 0.5623814160616263
Energy: 0.5627125060658096
Energy: 0.5619129538870213
Energy: 0.5622665106882446
Energy: 0.6896257211218279

minimum gb energy = 0.5606830053819322 eV
minimum distance =  2.68285998121392 Angstroms
sigma value = 23