Model name: model_name=EAM_Dynamo_PunMishin_2009_NiAl__MO_751354403791_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.52000005543232
cohesive_energy=4.4278017536966265
mass=58.6934
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=[2.0950862754501e-19, 2.9431023460599597e-19, 3.5815216694099394e-19, 4.0977109373520595e-19, 4.52952958374774e-19, 4.898046231334079e-19, 5.21657496793962e-19, 5.49412002624744e-19, 5.73720226515792e-19, 5.950660258105739e-19, 6.13830718547982e-19, 6.30309105228672e-19, 6.4474792105428e-19, 6.573426315741539e-19, 6.68264669688132e-19, 6.77653424763372e-19, 6.856306622240579e-19, 6.92302125728034e-19, 6.977591393434381e-19, 7.02083414078604e-19, 7.053438435287939e-19, 7.076061169360019e-19, 7.089263104824179e-19, 7.0935569382033e-19, 7.08894266949738e-19, 7.07405844856752e-19, 7.04706177228462e-19, 7.00582174572546e-19, 6.947774886275639e-19, 6.869861036564219e-19, 6.76836314680032e-19, 6.63881114417508e-19, 6.475773649899239e-19, 6.27255356564268e-19, 6.020899681740299e-19, 5.71059011126718e-19, 5.3287593758523e-19, 4.859161404426899e-19, 4.28099994428166e-19, 3.5673904714980596e-19, 2.68314918719346e-19, 1.5815854598998318e-19, 1.9965043471600798e-20, -1.549181437477182e-19, -3.7862638214687997e-19, -6.685706854252259e-19, -1.05045909919893e-18, -1.5634552291094879e-18, -2.2693390061639397e-18, -3.2702828364890998e-18, -4.74696097474788e-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: -0.022546436667 eV

========================================
theta = 0.0
========================================

Energy: 0.022057999537274556
Energy: 0.023068939277292512
Energy: 1.3697160752443056
Energy: 1.3697696593305384
Energy: 1.2324692178329553
Energy: 0.45352275327677294
Energy: 0.02257514184258076
Energy: 0.022972269074433845
Energy: 0.9763130642650976
Energy: 0.3798461382518327
Energy: 0.5626326176123981
Energy: 0.5697823081946377
Energy: 0.023540581925038797
Energy: 0.13913388304647822
Energy: 0.02254856804977305
Energy: 0.9797666763888884
Energy: 0.35430196710774087
Energy: 0.5629432970770596
Energy: 0.9801959722152858
Energy: 0.1367026142340502
Energy: 0.13912787634401297
Energy: 0.025580877364981745
Energy: 0.5375606841113254
Energy: 0.5625945948543253
Energy: 1.3708790972562708
Energy: 1.2366927614491605
Energy: 0.13739460626396785
Energy: 0.023029839788628735
Energy: 0.9992884289698903
Energy: 1.2365582701189768
Energy: 0.37951605377807296
Energy: 0.5625361809781624
Energy: 0.5639792751909746
Energy: 0.023040155889260457
Energy: 0.13933593628060564
Energy: 0.022473884387371294
Energy: 0.9823657061478668
Energy: 0.3539581613695961
Energy: 0.5629790284552322
Energy: 0.9782612636334915
Energy: 0.13664008684168197
Energy: 0.1388565240823453

minimum gb energy = 0.022057999537274556 eV
minimum distance =  2.46566168852717 Angstroms
sigma value = 5


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

Energy: 1.5747918516788932
Energy: 2.412437852561302
Energy: 1.594001743868849
Energy: 1.4825067883684728
Energy: 1.6736770720190026
Energy: 1.5074462722998243
Energy: 1.6930320288691276
Energy: 1.438447446603832
Energy: 1.5262678933126501
Energy: 1.4129242460268672
Energy: 1.697084979560951
Energy: 1.501627285211417
Energy: 1.474340825203302
Energy: 1.5811796385976462
Energy: 1.5769590352340876
Energy: 1.5712682255743697
Energy: 1.6169978806297938
Energy: 1.6156515903067938
Energy: 1.6789242336055838
Energy: 1.5828118598145917
Energy: 1.6211357417952759
Energy: 1.4315072857112499
Energy: 1.641701757867049
Energy: 1.434471479363823
Energy: 1.6331215420539973
Energy: 1.5862118268731817
Energy: 1.5453129741627407
Energy: 1.6644245629844237
Energy: 1.6511552658910325
Energy: 1.4533858590783117
Energy: 1.5165709033113275
Energy: 1.4594867586303966
Energy: 1.5235901979868236
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Energy: 1.4360601751283473
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Energy: 1.5852155467524986
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Energy: 1.6149651481965315
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Energy: 1.645931032786408
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Energy: 1.5973656782969132
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Energy: 1.6098615614807392
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Energy: 1.552096766246266
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Energy: 1.468150749946394
Energy: 1.655675750179283
Energy: 1.4817900376022652
Energy: 1.5623867405264458
Energy: 1.5135912863120728
Energy: 1.5467545688726945
Energy: 1.723233714192888
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Energy: 1.6104522185108765
Energy: 1.5745424194028006
Energy: 1.639809472417936
Energy: 1.560137145632003
Energy: 1.460889018588612
Energy: 1.5060150551309015
Energy: 1.4668674300469995
Energy: 1.4982347318131668
Energy: 1.488986437103422
Energy: 1.5227553994678047
Energy: 1.5818111197664633
Energy: 1.5928039765627133
Energy: 1.4724103021026806
Energy: 1.566787781762421
Energy: 1.5512046745918453
Energy: 1.5845288898483845
Energy: 1.56933967671991
Energy: 1.5724641743640346
Energy: 1.4535923328731606
Energy: 1.6493806125196067
Energy: 1.5496950517799393
Energy: 1.4936440781207954
Energy: 1.5258985061213817
Energy: 1.5260362373282537
Energy: 1.6682299373174492
Energy: 1.5194227933298723
Energy: 1.5713509538386927
Energy: 1.5509786088233852
Energy: 1.7285251791668528
Energy: 1.594204878573663
Energy: 1.5765647321190743
Energy: 1.61506562650002
Energy: 1.45737532254461
Energy: 1.6524720990237967
Energy: 1.4526038902060614
Energy: 1.5919136271809384
Energy: 1.5766774228596019
Energy: 1.462475080704885
Energy: 1.6145071878546307
Energy: 1.5418867240374494
Energy: 2.296969669121516
Energy: 1.617460672423649
Energy: 1.5386901723931286
Energy: 1.6243637668850757
Energy: 1.525732766726908
Energy: 1.4963376330567744

minimum gb energy = 1.4041310889782055 eV
minimum distance =  2.17578965816818 Angstroms
sigma value = 401


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

Energy: 1.6293035212589435
Energy: 1.4703322971047654
Energy: 1.491551721529745
Energy: 1.5261575246636752
Energy: 1.929549785728987
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Energy: 1.4231974124496443
Energy: 1.5686477159952454
Energy: 1.5955129963196286
Energy: 1.4331057766141644
Energy: 1.5739578753850907
Energy: 1.4994417769033972
Energy: 1.6049673893362406
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Energy: 1.6138575915749933
Energy: 1.5348579121056094
Energy: 1.6085660190285218
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Energy: 1.6477409790196247
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Energy: 1.4299990356605359
Energy: 1.4414527584865844
Energy: 1.4391154099781223
Energy: 1.5821242172316783
Energy: 1.5236081344987435
Energy: 1.5455841186441677
Energy: 1.4277901834103248
Energy: 1.399482046500701
Energy: 1.425969096892087
Energy: 1.4776888137428643
Energy: 1.555304114049214
Energy: 1.7096430133257041
Energy: 1.5306595352659056
Energy: 1.5774531765088975
Energy: 1.519011895939094
Energy: 1.5165899287545919
Energy: 1.586559378546864
Energy: 1.5647085867619397
Energy: 1.5020871934664761
Energy: 1.6592520575924927
Energy: 1.620269602922507
Energy: 1.4921744046596837
Energy: 1.4631210931978853
Energy: 1.5636253875040884
Energy: 1.6046072399592854
Energy: 1.4678351809590517
Energy: 1.5284559108344318
Energy: 1.4564776941314228
Energy: 1.6214096269074179
Energy: 1.6166377203911346
Energy: 1.4562908085509791
Energy: 1.491673909484135
Energy: 1.474059313681728
Energy: 1.4676339415301396
Energy: 1.4426055424166395
Energy: 1.4373367495326108
Energy: 1.5005062098274917
Energy: 1.43893737695074
Energy: 1.544449405215326
Energy: 1.4722822352545397
Energy: 1.4710401926774235
Energy: 1.45755444593519
Energy: 1.535042895460013
Energy: 1.6039565063718744
Energy: 1.4394624732508274
Energy: 1.5752917219098455
Energy: 1.4664452025979098
Energy: 1.6446797162527536
Energy: 1.4624899692196334
Energy: 1.470350375764387
Energy: 1.5834191774294692
Energy: 1.5275632395355199
Energy: 1.6353164241828833
Energy: 1.7249568024584436
Energy: 1.582326018596067
Energy: 1.550776975876851
Energy: 1.4789989842770812
Energy: 1.5430257158821057
Energy: 1.6194154458056425
Energy: 1.5996903736975483
Energy: 1.536675073102552
Energy: 1.5465138563172
Energy: 1.4933500228319043
Energy: 1.4930854514814498
Energy: 1.4271505536458657
Energy: 1.5014118475570386
Energy: 1.5636795256244622
Energy: 1.6212266092794023
Energy: 1.5138654053703244
Energy: 1.5273237474280756
Energy: 1.453554370765776
Energy: 1.437309224433735
Energy: 1.7151559355491321
Energy: 1.5567471296939939
Energy: 1.4992703306752042
Energy: 1.543210349826398
Energy: 1.428676220601544
Energy: 1.4186871783004387
Energy: 1.4295264068677904
Energy: 1.4786392615101789
Energy: 1.610669007998887
Energy: 1.5296608625112675
Energy: 1.462491209520987
Energy: 1.543498154561173
Energy: 1.437389843386537
Energy: 1.5053027014031053
Energy: 1.5907066371660497
Energy: 1.5802447755237488
Energy: 1.5038001394650797
Energy: 1.4705258761090476
Energy: 1.4756626201473613
Energy: 1.5418149125823357
Energy: 1.5598761793486937
Energy: 1.5578994201104372
Energy: 1.6369707472836184
Energy: 1.4650391070348412
Energy: 1.5070144113968127
Energy: 1.4603577385934308
Energy: 1.621566311990508
Energy: 1.6982200817094293
Energy: 1.5910310053217112
Energy: 1.4757521599621697
Energy: 1.4666134859512248
Energy: 1.4103874693017464
Energy: 1.4563132305677347
Energy: 1.4711199969828919
Energy: 1.4575952127933136
Energy: 1.4945589148428589
Energy: 1.5038987079744524

minimum gb energy = 1.399482046500701 eV
minimum distance =  2.18333365859637 Angstroms
sigma value = 311


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

Energy: 1.5627653252173157
Energy: 2.1280548024176507
Energy: 1.5641119275711521
Energy: 1.4994161087887972
Energy: 1.59750297258502
Energy: 1.5299853864329378
Energy: 1.6279238343899407
Energy: 1.4767056617690701
Energy: 1.5814475773001189
Energy: 1.4616250754677533
Energy: 1.5553725740870055
Energy: 1.585484067736338
Energy: 1.4996211534842325
Energy: 1.6596536622515077
Energy: 1.5123129047820185
Energy: 1.4602616132504798
Energy: 1.5374505192155647
Energy: 1.6303078739381995
Energy: 1.6020307099097357
Energy: 1.517967116652532
Energy: 1.5948806693486548
Energy: 1.4986012082877496
Energy: 1.613189079410885
Energy: 1.4947606316533315
Energy: 1.6157067944078152
Energy: 1.5135039018371634
Energy: 1.496165569599205
Energy: 1.4824281155614056
Energy: 1.535540410840938
Energy: 1.4912064008161883
Energy: 1.5190804539488398
Energy: 1.532570563452106
Energy: 1.5393946971051247
Energy: 1.4816122725047152
Energy: 1.5404783980632248
Energy: 1.5152858447023225
Energy: 1.4537234941927002
Energy: 1.4688633452543567
Energy: 1.5026777784560976
Energy: 1.4833035440915396
Energy: 1.494287174307486
Energy: 1.5135506745898184
Energy: 1.5644011268672848
Energy: 2.427967510187119
Energy: 1.5308809803628887
Energy: 1.531708951421551
Energy: 1.5574439655508099
Energy: 1.5720156445263085
Energy: 1.580208707050691
Energy: 1.599275060140106
Energy: 1.5740275787769633
Energy: 1.485611221800525
Energy: 1.590946100095508
Energy: 1.6180663630025214
Energy: 1.549823458274893
Energy: 1.609701539262306
Energy: 1.6057519399840556
Energy: 1.5093173454028321
Energy: 1.4908557436352368
Energy: 1.623206753747551
Energy: 1.581211861803037
Energy: 1.5089435775807807
Energy: 1.4980664472480612
Energy: 1.502377590565146
Energy: 1.5562966738816437
Energy: 1.483257229510077
Energy: 1.5423783062898464
Energy: 1.5023199135272562
Energy: 1.469344422513588
Energy: 1.4935550861354674
Energy: 1.5070750360363006
Energy: 1.4666308691629613
Energy: 1.565074360477924
Energy: 1.721618346868649
Energy: 1.5298156620337706
Energy: 1.674161650270415
Energy: 1.5016442473229554
Energy: 1.4854745176613986
Energy: 1.4806926192926329
Energy: 1.4783253239920728
Energy: 2.0958900822019526
Energy: 1.5162778733723157
Energy: 1.5419847959341741
Energy: 1.5296989945731132
Energy: 1.556193917990547
Energy: 2.0733285248224385
Energy: 1.562581805556599
Energy: 1.5499912225089918
Energy: 1.567329337075912
Energy: 1.5653497807302927
Energy: 1.4968042784965092
Energy: 1.5688952596977674
Energy: 1.6013725704777007
Energy: 1.5655902999477616
Energy: 1.573151412819305
Energy: 1.590648499362105
Energy: 1.5273792263437644
Energy: 1.6569015530729414
Energy: 1.4829504796221065
Energy: 1.58329762443016
Energy: 1.596154994770665
Energy: 1.524173226001436
Energy: 1.5400698320170432
Energy: 1.5213938366876985
Energy: 1.5402413747590862
Energy: 1.4721305529169921
Energy: 1.5206553890138406
Energy: 1.5119056040706413
Energy: 1.5499053748795608
Energy: 1.5077516234885229
Energy: 1.5255948112676234
Energy: 1.5796072513819865
Energy: 1.529190560382808
Energy: 1.4822322078029009
Energy: 1.5483780973332864
Energy: 1.6475716727243213
Energy: 1.513730966733501
Energy: 1.6456286065335155
Energy: 1.5665407027240439
Energy: 1.4635067921996185
Energy: 1.562349815430643
Energy: 1.5580169252621552
Energy: 1.4410422144968826
Energy: 1.467940919789529
Energy: 1.461945204679772
Energy: 1.5799300228506796
Energy: 1.561431327448071
Energy: 2.1845043667678126
Energy: 1.6411732203426834
Energy: 1.5203922164413735
Energy: 1.5220214432214316
Energy: 1.5259601674701886
Energy: 1.482679714533977
Energy: 1.554616390150621
Energy: 1.6313179625101388
Energy: 1.5825734651674888
Energy: 1.552223025522793
Energy: 1.6004331705904256
Energy: 1.5508461993130513
Energy: 1.61515523886568
Energy: 1.4790693911021944
Energy: 1.5770823879668918
Energy: 1.6078869090724208
Energy: 1.500342738747014
Energy: 1.5513315093081619
Energy: 1.5594297058778137
Energy: 1.543349462439431
Energy: 1.4983411124021868
Energy: 1.5055523808984845
Energy: 1.503064823693855
Energy: 1.4607739064431013
Energy: 1.522672424808864
Energy: 1.4917109926465766
Energy: 1.507486266992754
Energy: 1.4994637286204127
Energy: 1.5123721308389977
Energy: 1.524481427083488
Energy: 1.6884531149718702
Energy: 1.5627056663771635
Energy: 1.5262106196192566
Energy: 1.5534501939126844
Energy: 1.5480869198970337
Energy: 1.5433986615089634
Energy: 1.4894852599963637
Energy: 1.4774117247957872
Energy: 1.5074093485353914
Energy: 1.4205057200212723
Energy: 1.534793510963612
Energy: 1.5642803931982572
Energy: 1.517992303485289
Energy: 1.580934410014872
Energy: 1.6005079470119834
Energy: 1.562060981016704
Energy: 1.538367316437965
Energy: 1.5108604943496886
Energy: 1.5349514645811315
Energy: 1.638518085245967
Energy: 1.5714675161915428
Energy: 1.597671963434725
Energy: 1.628531080051628
Energy: 1.4909343075303154
Energy: 1.6377711181311432
Energy: 1.5072315222466037
Energy: 1.5509742916163372
Energy: 1.4793917849241656
Energy: 1.5358492081389488
Energy: 1.5810852569234366
Energy: 1.4842324769575994
Energy: 1.4470795000117844
Energy: 1.4788206332943317
Energy: 1.4870136433915826
Energy: 1.5647498574409315
Energy: 1.495713263701319
Energy: 1.5193702539776812
Energy: 1.4747538758564407
Energy: 1.4560221084719633
Energy: 1.5149287264604208
Energy: 1.5844940208739127
Energy: 1.5131051424731063
Energy: 1.6728089923537857
Energy: 1.509744871033148
Energy: 1.5128635722370598
Energy: 1.507391171452221
Energy: 1.5444156659820287
Energy: 1.5887631086390128
Energy: 1.5360268434751405
Energy: 1.4725086635595055
Energy: 1.5182280031285387
Energy: 1.552999006475608
Energy: 1.52067850150381
Energy: 1.5471875241412902
Energy: 1.5787051402540684
Energy: 1.4909695022581193
Energy: 1.5607615808693314
Energy: 1.5384839225168316
Energy: 1.4695495520982889
Energy: 1.4930755703125447
Energy: 1.6152396160152744
Energy: 1.6571739470524505
Energy: 1.5251543427940941
Energy: 1.6355348277986193
Energy: 1.6115795225867668
Energy: 1.5641706560822548
Energy: 1.598708658876652
Energy: 1.4735702212463293
Energy: 1.4800909804187705
Energy: 1.4821712258274176
Energy: 1.6099990798661155
Energy: 1.5718898497478608
Energy: 1.550411770108494
Energy: 1.5494857492508136
Energy: 1.4888831417737083
Energy: 1.424727629511958
Energy: 1.5605062076557417
Energy: 1.527541859815733
Energy: 1.4807620189370114
Energy: 1.521750201590929
Energy: 1.491416263050768
Energy: 1.5132969268662453
Energy: 1.4443550663722058
Energy: 1.5120945797623206
Energy: 1.6922607412694248
Energy: 1.4927643263602095
Energy: 1.4854710777375897
Energy: 1.5574653205619011
Energy: 1.556404049284059
Energy: 2.126882077663385
Energy: 1.566451340814177
Energy: 1.4621207135187795
Energy: 1.495804278129667
Energy: 1.4541565329494313
Energy: 1.5326531689188923

minimum gb energy = 1.4205057200212723 eV
minimum distance =  2.17275426225018 Angstroms
sigma value = 39


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

Energy: 1.4036707610860144
Energy: 2.0446187615937435
Energy: 1.8227414958518982
Energy: 1.6446452953544624
Energy: 1.4781919422029128
Energy: 1.5422924008876007
Energy: 1.388761142833752
Energy: 1.387279256447175
Energy: 1.5081353148243024
Energy: 1.5297851246965333
Energy: 1.5192962765041274
Energy: 1.4947643953995213
Energy: 1.4509309648206081
Energy: 1.6358235696503658
Energy: 1.4505570745404281
Energy: 1.3956180071174873
Energy: 1.5252436010990917
Energy: 1.5349820470937128
Energy: 1.502120588284654
Energy: 1.4520049189802866
Energy: 1.4518794807155966
Energy: 1.4718578466863466
Energy: 1.4499796060552397
Energy: 1.5533408542589764
Energy: 1.5188717774479414
Energy: 1.5197220434324397
Energy: 1.5294934063018366
Energy: 1.6362902998166378
Energy: 1.504819905644187
Energy: 1.4956059879222372
Energy: 1.5343354734209087
Energy: 1.4203275372197008
Energy: 1.4500540104144353
Energy: 1.5406725428397545
Energy: 1.4509863089194792
Energy: 1.3877404702420975
Energy: 1.4965408889552911
Energy: 1.4177056188147796
Energy: 1.382005287373304
Energy: 1.5098343184078413
Energy: 1.4694049594866
Energy: 1.4502027064519845
Energy: 1.4545434513953386
Energy: 1.4578303696854495
Energy: 1.4210615476258253
Energy: 1.5559029131581534
Energy: 1.3891171854796596
Energy: 1.3898122615379311
Energy: 1.4878746032499106
Energy: 1.387007643596313
Energy: 1.5066430121600627
Energy: 1.7355330006833032
Energy: 1.3828337372756807
Energy: 1.5647620272699179
Energy: 1.5568291710911184
Energy: 1.4508582598132034
Energy: 1.3872708909847014
Energy: 1.507727473774216
Energy: 1.78997543629831
Energy: 1.4517827842545081
Energy: 1.51501798416061
Energy: 1.532163553610831
Energy: 1.450857111758716
Energy: 1.45684101709523
Energy: 1.3816726862687003
Energy: 1.5280452463841214
Energy: 1.5202182804331545
Energy: 1.498685717305105
Energy: 1.4521175808751408
Energy: 1.4507143322982905
Energy: 1.4696652515107702
Energy: 1.4873291319568946
Energy: 1.549592640830461
Energy: 1.3971294901814342
Energy: 1.5065929754321585
Energy: 1.4868433925315496
Energy: 1.5222103747712323
Energy: 1.5043963692029452
Energy: 1.5152073599455969
Energy: 1.5184200866335225
Energy: 1.4537464352075224
Energy: 1.567168571104939
Energy: 1.528055982061858
Energy: 1.5635050610360217
Energy: 1.3904051024312396
Energy: 1.49515538296181
Energy: 1.563102871599256
Energy: 1.529113951896118
Energy: 1.520494604488751
Energy: 1.5610584016679827
Energy: 1.4517248894533812
Energy: 1.4568153120881127
Energy: 1.3958667399300524
Energy: 1.4532611484105102
Energy: 1.5384675167455497
Energy: 1.3897531920978923
Energy: 1.3882093498301946
Energy: 1.4894314136232671
Energy: 1.3870461046764107
Energy: 1.4588851621705305
Energy: 1.418025873326356
Energy: 1.7646142132279732
Energy: 1.3891654352257188
Energy: 1.3880793014295714
Energy: 1.4489363565718087
Energy: 1.4037119677322565
Energy: 2.125713164870116
Energy: 1.4850538310903811
Energy: 1.4186143676446914
Energy: 1.478568768975892
Energy: 1.541266179683024
Energy: 1.3887328529748915
Energy: 1.4518554649500648
Energy: 1.506867778212873
Energy: 1.5295115896919027
Energy: 1.519191965510298
Energy: 1.4948496871898895
Energy: 1.4540494458091346
Energy: 1.596456332547761
Energy: 1.45239222741089
Energy: 1.3953841933361517
Energy: 1.520685003122149
Energy: 1.5340285371517182
Energy: 1.5020873248212712
Energy: 1.4544957449574722
Energy: 1.5365742057427858
Energy: 1.4716754053548815
Energy: 1.4516572178242608
Energy: 1.5543575495051043
Energy: 1.5164371965904977
Energy: 1.5197068726028637
Energy: 1.5294262700356245
Energy: 1.636431423458728
Energy: 1.5041019755354643
Energy: 1.4954785192015931
Energy: 1.5352789388202694
Energy: 1.419199451029278
Energy: 1.451941214473659
Energy: 1.5387257083468673
Energy: 1.451337091316145
Energy: 1.388064862253408
Energy: 1.496094986776598
Energy: 1.4178035974966716
Energy: 1.39916481869834
Energy: 1.510911545854249
Energy: 1.3883249007434386
Energy: 1.4501755431984766
Energy: 1.4550534627163085
Energy: 1.4576857317691845
Energy: 1.4206977666727065
Energy: 1.5295686476380495
Energy: 1.3891595849526854
Energy: 1.390150167007156
Energy: 1.488714848512024
Energy: 1.3869390073805923
Energy: 1.506024210118066
Energy: 1.7364246481981025
Energy: 1.3822029781235419
Energy: 1.5637091674841086
Energy: 1.5572914326563512
Energy: 1.450844065358701
Energy: 1.3874007637927208
Energy: 1.5077384346817984
Energy: 1.4195149832818235
Energy: 1.4515728420431633
Energy: 1.5076890045169613
Energy: 1.5335383804750045
Energy: 1.4503785280247021
Energy: 1.456895041917681
Energy: 1.381452117606115
Energy: 1.528461144222718
Energy: 1.5213419909615917
Energy: 1.4979171498148907
Energy: 1.453187102527204
Energy: 1.4509894641501309
Energy: 1.46960163724739
Energy: 1.4874705318668302
Energy: 1.5494647075310504
Energy: 1.396911242676434
Energy: 1.5068060476305114
Energy: 1.5294139160137263
Energy: 1.521772169994777
Energy: 1.5025621232762632
Energy: 1.5154894803022894
Energy: 1.5194224155667146
Energy: 1.4886694978983708
Energy: 1.5670978819501205
Energy: 1.5279924356460945
Energy: 1.4859529570130605
Energy: 1.3902042212389083
Energy: 1.4951484445352603
Energy: 1.5622133246949927
Energy: 1.5289170770275808
Energy: 1.520554200241224
Energy: 1.5612336951574957
Energy: 1.451024548871012
Energy: 1.4568162502673114
Energy: 1.3959056360719593
Energy: 1.4515134267031
Energy: 1.538296481876536
Energy: 1.3899004990651995
Energy: 1.3884024717799621
Energy: 1.4886631477856793
Energy: 1.386923036347613
Energy: 1.4584747008696204
Energy: 1.41749776823926
Energy: 1.633638926587945
Energy: 1.3892927592006092
Energy: 1.3881646644594767
Energy: 1.4505044870145438

minimum gb energy = 1.381452117606115 eV
minimum distance =  2.20110216423888 Angstroms
sigma value = 21


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

Energy: 1.6777205613249853
Energy: 1.6754536285167632
Energy: 1.7876300708373685
Energy: 1.8204230531781875
Energy: 1.5140616799909516
Energy: 1.5857193554610371
Energy: 1.6737264536217846
Energy: 1.4508922301183835
Energy: 1.4865406442723497
Energy: 1.5973736885403682
Energy: 1.5982034758268715
Energy: 1.6201958086283479
Energy: 1.5570848804217494
Energy: 1.6768378158764146
Energy: 1.513834015535795
Energy: 1.568353207780175
Energy: 1.4622513428990145
Energy: 1.6133013182660916
Energy: 1.705828901633007
Energy: 1.5645346744383093
Energy: 1.5499349993076048
Energy: 1.6990346177835842
Energy: 1.610889688633236
Energy: 1.4702512195533342
Energy: 1.4338802833630935
Energy: 1.4984616333874394
Energy: 1.4158504176181521
Energy: 1.5539118706342074
Energy: 1.411203538170434
Energy: 1.4883870864062292
Energy: 1.4467464847923455
Energy: 1.4734228212269842
Energy: 1.4397640120517003
Energy: 1.4254442889354633
Energy: 1.3817340624827008
Energy: 1.3887664773764887
Energy: 1.4870366828548258
Energy: 1.513276279617074
Energy: 1.5756408151600318
Energy: 1.4312718688199328
Energy: 1.390625472791245
Energy: 1.3739977877586358
Energy: 1.5649320013175703
Energy: 1.4182849305643426
Energy: 1.4357619923296059
Energy: 1.4999086316964327
Energy: 1.38757432929333
Energy: 1.3877670677266611
Energy: 1.4235989074231625
Energy: 1.5123568111186314
Energy: 1.3710570043007502
Energy: 1.462171006595009
Energy: 1.5910777990206273
Energy: 1.4175248286620994
Energy: 1.410137986741
Energy: 1.3826385673558985
Energy: 1.4345264501050994
Energy: 1.5168428752336995
Energy: 1.610430664362436
Energy: 1.5348718304674331
Energy: 1.6189645612317514
Energy: 1.5532478724040366
Energy: 1.523608180836812
Energy: 1.7082733230714129
Energy: 1.7101668943500636
Energy: 1.5824432129204076
Energy: 1.5870696564037106
Energy: 1.418373009232065
Energy: 1.5063432784891067
Energy: 1.6983003718347405
Energy: 1.4181632584075334
Energy: 1.541587854158552
Energy: 1.4570284287010526
Energy: 1.4926485716670708
Energy: 1.4451103115976076
Energy: 1.5285233690045312
Energy: 1.6768182219646455
Energy: 1.434851489178703
Energy: 1.515078760918538
Energy: 1.591167263800298
Energy: 1.6432284708620157
Energy: 1.6683480934525923
Energy: 1.6738226279338582
Energy: 1.6926655592923294
Energy: 1.6683836135052756
Energy: 2.1686065179583878
Energy: 1.7868792531095103
Energy: 1.591557250851854
Energy: 1.4582717368427542
Energy: 1.5258277041555945
Energy: 1.6688512707964887
Energy: 1.6669665658471455
Energy: 1.5165351925452215
Energy: 1.4640060927656222
Energy: 1.4467316333964504
Energy: 1.5825983318645496
Energy: 1.435643759409393
Energy: 1.7282547560194104
Energy: 1.5117057411770423
Energy: 1.5933248391528432
Energy: 1.5792879045830994
Energy: 1.6121660088492413
Energy: 1.7271148012741881
Energy: 1.700028474304666
Energy: 1.636760108199155
Energy: 1.7012205128872355
Energy: 1.6111208151617933
Energy: 1.4359335508922373
Energy: 1.455102738548893
Energy: 1.4982339084938732
Energy: 1.4798554999668365
Energy: 1.5697621874221648
Energy: 1.4111212092102607
Energy: 1.5242596157101098
Energy: 1.5526485436421207
Energy: 1.4613732478429466
Energy: 1.3700887710173988
Energy: 1.5451231198251119
Energy: 1.3810399623607716
Energy: 1.388188911858969
Energy: 1.4854494289095712
Energy: 1.514361438520187
Energy: 1.4086099999635928
Energy: 1.4319929235216116
Energy: 1.4130620046921478
Energy: 1.559958052034827
Energy: 1.3839135290618965
Energy: 1.3718487379026172
Energy: 1.564459790521426
Energy: 1.5275568878714034
Energy: 1.3890798435121898
Energy: 1.3885333234119381
Energy: 1.3787167061925365
Energy: 1.4299603946467685
Energy: 1.3699973499152591
Energy: 1.480709036777342
Energy: 1.5160407298117269
Energy: 1.4814866663391901
Energy: 1.4102749406076995
Energy: 1.5326085441804285
Energy: 1.4351791833963532
Energy: 1.5165150472781057
Energy: 1.6113098317010157
Energy: 1.4362887412457328
Energy: 1.5725393483506191
Energy: 1.5807915322866408
Energy: 1.4984567697962885
Energy: 1.4095701320947345
Energy: 1.5627284486799236
Energy: 1.5823114760514738
Energy: 1.4640809182506485
Energy: 1.564541771571636
Energy: 1.5443443086459065
Energy: 1.3911073915712158
Energy: 1.6980530063645807
Energy: 1.6102647647560866
Energy: 1.6270590229156856
Energy: 1.5997110767242095
Energy: 1.45689508914438
Energy: 1.6017745300379183
Energy: 1.516301812534639
Energy: 1.5128629675243703
Energy: 1.7321088936580291
Energy: 1.5095922013756395
Energy: 1.9226482535776452
Energy: 1.6706504397467634
Energy: 1.6728095100156875
Energy: 1.6387018235680404
Energy: 1.666973759916894
Energy: 1.5102238082342216
Energy: 1.640263282739899
Energy: 1.561245517862675
Energy: 1.4570618561366955
Energy: 1.6105169521483296
Energy: 1.5516929236616985

minimum gb energy = 1.3699973499152591 eV
minimum distance =  2.11594134416155 Angstroms
sigma value = 113


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

Energy: 1.6338996793294542
Energy: 2.591059596486565
Energy: 1.7613285012305533
Energy: 1.6446118424527578
Energy: 1.7086897974897248
Energy: 1.7188804828089468
Energy: 1.8254829598136828
Energy: 1.7725465330943027
Energy: 1.6556416786711807
Energy: 1.7376580547758231
Energy: 1.8371964759877606
Energy: 1.7161571040183041
Energy: 1.7625722995891513
Energy: 1.7823966929241057
Energy: 1.7037678570754218
Energy: 1.6563109880828524
Energy: 1.5731997446706953
Energy: 1.7512127823258417
Energy: 1.7549991604467767
Energy: 1.6622574291290053
Energy: 1.6924953512756318
Energy: 1.65337991574649
Energy: 1.7875942069533572
Energy: 1.6313943889451705
Energy: 1.556251138849956
Energy: 1.6638556239826032
Energy: 1.6241463003838712
Energy: 1.6515945583746048
Energy: 1.632655504586077
Energy: 1.7103715811882478
Energy: 1.6692518512867454
Energy: 1.6427067202278283
Energy: 1.6077486078827061
Energy: 1.6682634933816873
Energy: 1.6529603665363728
Energy: 1.4740475668320354
Energy: 1.541569559311895
Energy: 1.6664075417930504
Energy: 1.6399872071428805
Energy: 1.5105641263604397
Energy: 1.563863456750482
Energy: 1.5910968488396016
Energy: 1.5930747500486226
Energy: 1.5618582687271845
Energy: 1.5085099478605088
Energy: 1.6210766350015138
Energy: 1.6089028717234166
Energy: 1.54870573268274
Energy: 1.552628841576349
Energy: 1.5103445397308863
Energy: 1.3794758482806693
Energy: 1.5463338308715497
Energy: 1.665892118708078
Energy: 1.6639207028851664
Energy: 1.5535200835811454
Energy: 1.4798482726051596
Energy: 1.458808009838206
Energy: 1.4567853133063562
Energy: 1.5593747901406787
Energy: 1.488705986429348
Energy: 1.6004160251795752
Energy: 1.574421139751445
Energy: 1.5240054521448678
Energy: 1.6187034394377058
Energy: 1.6683592992974636
Energy: 1.619962552852895
Energy: 1.422212366793907
Energy: 1.4255395850917891
Energy: 1.4758381153228814
Energy: 1.5711602019185402
Energy: 1.6124184508641461
Energy: 1.5220807156005527
Energy: 1.639863081025326
Energy: 1.4447106477522769
Energy: 1.508212289592117
Energy: 1.6311856026123326
Energy: 1.497138581599893
Energy: 1.486591666774071
Energy: 1.3497737340762253
Energy: 1.6904233016990176
Energy: 1.6246958269728453
Energy: 1.6198918489970262
Energy: 1.6173457298334277
Energy: 1.4286659987776813
Energy: 1.6032247356551965
Energy: 1.3760211319629245
Energy: 1.4804460706210856
Energy: 1.555620775235382
Energy: 1.6386692091017923
Energy: 1.626235502003593
Energy: 1.4647428192778764
Energy: 1.654525058872865
Energy: 1.5813200818430018
Energy: 1.5238744591877778
Energy: 1.5728166183455565
Energy: 1.5546894122717712
Energy: 1.5064877596600612
Energy: 1.5431899568756962
Energy: 1.4967650497421414
Energy: 1.6012000650627907
Energy: 1.6463346246747337
Energy: 1.4746659798301607
Energy: 1.5609069728666247
Energy: 1.5073776866622568
Energy: 1.5828297487085237
Energy: 1.632549652297179
Energy: 1.5586345887520272
Energy: 1.7160737180121501
Energy: 1.623780652117964
Energy: 1.5938451056580756
Energy: 1.6427494183064784
Energy: 1.5942922308099583
Energy: 1.6324587762465916
Energy: 1.6058533805267092
Energy: 1.5631592826808027
Energy: 1.679807208939163
Energy: 1.6133371208795253
Energy: 1.6097701715168717
Energy: 1.5997250063528268
Energy: 1.5469617766980395
Energy: 1.565407675356899
Energy: 1.569436775772812
Energy: 1.6584525705988322
Energy: 1.661968903829502
Energy: 1.6549513118871921
Energy: 1.6905029987729485
Energy: 1.7026689424734243
Energy: 1.6914657231370085
Energy: 1.6818581304337636
Energy: 1.7392043632387575
Energy: 1.800310139514516
Energy: 1.7842239362815688
Energy: 1.6451606533333025
Energy: 1.6522989976393478
Energy: 1.8120433921917407
Energy: 1.6583207810041318
Energy: 1.7786768855394073
Energy: 1.6551533686023145
Energy: 1.6887771475120874
Energy: 1.7670544135836368
Energy: 1.6978638474130945
Energy: 1.742475011096864
Energy: 1.4901086977275972
Energy: 1.7864942661359329
Energy: 1.6673927192324671
Energy: 1.6457868437577583
Energy: 1.7799044787161487
Energy: 1.7029237302230609
Energy: 1.704289383162866
Energy: 1.6010305193442502
Energy: 1.7680712203252291
Energy: 1.6715588609207968
Energy: 1.6405128394498516
Energy: 1.7811602625743908
Energy: 1.6340088487960784
Energy: 2.589899091920065
Energy: 1.7626064449398444
Energy: 1.641348771678206
Energy: 1.707486409052252
Energy: 1.6868855743299092
Energy: 1.7267204920363948
Energy: 1.7787611247844064
Energy: 1.6549055471411078
Energy: 1.7359177786011581
Energy: 1.7070891880305705
Energy: 1.7744626347838606
Energy: 1.7792914472535042
Energy: 1.7290418465089326
Energy: 1.551973135236319
Energy: 1.7080879979527903
Energy: 1.6675911098985683
Energy: 1.684239765674036
Energy: 1.6697035743073991
Energy: 1.66373092980103
Energy: 1.7087290422492811
Energy: 1.6544409407502316
Energy: 1.7811231270255032
Energy: 1.6303512043191493
Energy: 1.652530700700676
Energy: 1.6816089514152166
Energy: 1.624082354939197
Energy: 1.6505841914565629
Energy: 1.6621797211101659
Energy: 1.7112009512987003
Energy: 1.6719527804281158
Energy: 1.642182856723181
Energy: 1.703206813685901
Energy: 1.6660604365386276
Energy: 1.6552485886878958
Energy: 1.4736052332016365
Energy: 1.653018383597966
Energy: 1.6701168602805596
Energy: 1.6374249509283834
Energy: 1.509539885448791
Energy: 1.5649399010212977
Energy: 1.6400506181903616
Energy: 1.5925339261771563
Energy: 1.5600179318805831
Energy: 1.504370222150793
Energy: 1.6606309266724943
Energy: 1.601900506976311
Energy: 1.5497354699157047
Energy: 1.5522615154317287
Energy: 1.5852677486537374
Energy: 1.3786753789263166
Energy: 1.5450515731403702
Energy: 1.647675156824925
Energy: 1.6115501541924726
Energy: 1.5366827597575572
Energy: 1.482666871062014
Energy: 1.450554825465114
Energy: 1.455822598208946
Energy: 1.654301421262713
Energy: 1.5089305623497304
Energy: 1.5798624298508137
Energy: 1.6640185470023567
Energy: 1.6774886881355684
Energy: 1.6780958388833933
Energy: 1.6705498603907771
Energy: 1.62682200556484
Energy: 1.422700383699755
Energy: 1.3781535728888963
Energy: 1.645745069410834
Energy: 1.5120468611464752
Energy: 1.611461397556239
Energy: 1.5221263270915701
Energy: 1.6355300355566453
Energy: 1.4439648167507764
Energy: 1.4519628782641363
Energy: 1.6142784941631667
Energy: 1.4946673232573604
Energy: 1.4611807317821741
Energy: 1.3489574332306713
Energy: 1.6619964371595435
Energy: 1.6472840029870828
Energy: 1.5953706286278562
Energy: 1.5956137407737412
Energy: 1.5576537594070472
Energy: 1.5227795573610503
Energy: 1.37448528240731
Energy: 1.5448417269420005
Energy: 1.5816055270417078
Energy: 1.6381977667800278
Energy: 1.538947836713839
Energy: 1.3674746452160846
Energy: 1.6555661259369647
Energy: 1.5812363730617118
Energy: 1.530038289801265
Energy: 1.5700344546731637
Energy: 1.5624662445450663
Energy: 1.50429980407772
Energy: 1.5444697007893424
Energy: 1.4963797684072864
Energy: 1.599052781737521
Energy: 1.6456828465327313
Energy: 1.4835596488946787
Energy: 1.5603433314686856
Energy: 1.5078685348177099
Energy: 1.5817223084111491
Energy: 1.6313630610799945
Energy: 1.5582579056776902
Energy: 1.7191768353065935
Energy: 1.5811148592817867
Energy: 1.5980283894233602
Energy: 1.6445458590809634
Energy: 1.5920433134625234
Energy: 1.6326514582320717
Energy: 1.5744151992555682
Energy: 1.5615618214473796
Energy: 1.630746155672591
Energy: 1.6096410769798168
Energy: 1.5624095986038231
Energy: 1.5515906814293614
Energy: 1.548842019156861
Energy: 1.5652558815529936
Energy: 1.573238432826368
Energy: 1.6599543305495281
Energy: 1.7441724198692794
Energy: 1.6668988797968296
Energy: 1.6169912561943358
Energy: 1.7088979768295538
Energy: 1.6895312522412063
Energy: 1.6775325754111814
Energy: 1.75976973810162
Energy: 1.7630585350434034
Energy: 1.7680962941633585
Energy: 1.6985040807993812
Energy: 1.6563397500220876
Energy: 1.7922888862735544
Energy: 1.6600014636138924
Energy: 1.7760990226024798
Energy: 1.6548699720806643
Energy: 1.68461378094959
Energy: 1.6921261325304566
Energy: 1.6996126068197464
Energy: 1.7441840757802247
Energy: 1.477083370997109
Energy: 1.740976628330866
Energy: 1.6727907014589678
Energy: 1.6390128245058306
Energy: 1.7813199822117356
Energy: 1.7009029473939066
Energy: 1.7196741166174174
Energy: 1.5601076617359178
Energy: 1.7827110028435247
Energy: 1.6667890599612374
Energy: 1.6452857063973214
Energy: 1.7798188743434498
Energy: 1.6346452664341926
Energy: 2.5221123498728684
Energy: 1.7519434880756741
Energy: 1.6614916985353052
Energy: 1.7085846165870415
Energy: 1.6890990922672584
Energy: 1.6432878807800582

minimum gb energy = 1.3489574332306713 eV
minimum distance =  2.14627424420883 Angstroms
sigma value = 365


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

Energy: 1.5027130991536282
Energy: 1.435699270430604
Energy: 1.4398080891309066
Energy: 1.4325046696773225
Energy: 1.4329887647173565
Energy: 1.4371261428232314
Energy: 1.4344077587234891
Energy: 1.4359034150410712
Energy: 1.7377279092743052
Energy: 1.3983301111711826
Energy: 1.4025835273748277
Energy: 1.4005019334386377
Energy: 1.3982305934997445
Energy: 1.729644162694819
Energy: 1.398582556295616
Energy: 2.140753797591489
Energy: 1.4013366534189822
Energy: 1.4153172727313479
Energy: 1.4119939526607612
Energy: 1.4025188069537866
Energy: 1.4269947297062586
Energy: 1.399240854090466
Energy: 2.3946059858965816
Energy: 1.4035386753471943
Energy: 1.4348913693143375
Energy: 1.4323938480136407
Energy: 1.4065065405225599
Energy: 1.4376358523397843
Energy: 1.434207383039038
Energy: 1.7254209875726032
Energy: 1.4085898947664266
Energy: 1.723742415172803
Energy: 1.4008300940650418
Energy: 1.4081793634830277
Energy: 1.7228053310685891
Energy: 1.3980577123494182
Energy: 2.976779900735223
Energy: 1.4347951282375386
Energy: 1.4330028586682741
Energy: 1.433479392133094
Energy: 1.4382267268875646
Energy: 1.434775538589678
Energy: 1.3994190112811198
Energy: 1.7613720963403892
Energy: 1.4000222193497585
Energy: 1.409915416462692
Energy: 1.4072855828006523
Energy: 1.4011782329626101
Energy: 2.2925781015372126
Energy: 1.3985483992602032
Energy: 1.7596914025111365
Energy: 1.4002420792284127
Energy: 1.4113420473351381
Energy: 1.4078885200199815
Energy: 1.4012973755772358
Energy: 1.9362945135425915
Energy: 1.3996039924364887
Energy: 2.8868399297567473
Energy: 1.4002840518080388
Energy: 1.4337914317351346
Energy: 1.4341598694182682
Energy: 1.4296405899611884
Energy: 1.435734828816833
Energy: 1.433731288549094
Energy: 1.7198400459704921
Energy: 1.4086829443765365
Energy: 2.06945721289316
Energy: 1.889790042392121
Energy: 1.4099323281695122
Energy: 1.717024718445273
Energy: 1.4005217356317405
Energy: 2.8242091198502903
Energy: 1.3993757459225336
Energy: 1.4344230717509583
Energy: 1.4352437311647108
Energy: 1.404337921618225
Energy: 1.4362425570146364
Energy: 1.3980946127667093
Energy: 2.0691576698895626
Energy: 1.400150818141708
Energy: 1.4124665810439565
Energy: 1.4089499960344747
Energy: 1.4013874106475677
Energy: 2.4800286891912786
Energy: 1.399664255642242
Energy: 1.738607502486825
Energy: 1.400889234708131
Energy: 1.4096729585940924
Energy: 1.4057382474217126
Energy: 1.4019566233449465
Energy: 1.7376643426781653
Energy: 1.3984485902595574
Energy: 2.8285935638318818
Energy: 1.4400530529849376
Energy: 1.4327302397137034
Energy: 1.4331329384643674
Energy: 1.4375093853833296
Energy: 1.4346453095745073
Energy: 1.4346939597641943
Energy: 1.7280525907075899
Energy: 1.4083249915947045
Energy: 1.383717267158573
Energy: 1.4000808946421446
Energy: 1.7148274267756447
Energy: 1.7232570674204735
Energy: 1.3985255932982956
Energy: 1.788872713565184
Energy: 1.402745128016386
Energy: 1.4322672647072958
Energy: 1.4195685874573776
Energy: 1.404495856085508
Energy: 1.4373199026416792
Energy: 1.398790201424002
Energy: 2.570705730911351
Energy: 1.4000415108916162
Energy: 1.4236455932614618
Energy: 1.414261210938622
Energy: 1.4034460726683013
Energy: 1.4339824263172858
Energy: 1.4351565070947967
Energy: 1.7301231085761322
Energy: 1.6705195413141383
Energy: 1.4014240884175901
Energy: 1.400236811707519
Energy: 1.3976950584990466
Energy: 1.7271097727358762
Energy: 1.3978133718155776
Energy: 2.7913950807159247
Energy: 1.4396538470788354
Energy: 1.4325600748326015
Energy: 1.4331680355389782
Energy: 1.4372366967920804
Energy: 1.4344842830482998
Energy: 1.3987090309280266
Energy: 1.7374506166084072
Energy: 1.4001876962839672
Energy: 1.407880352684646
Energy: 1.4057841821031185
Energy: 1.4013806641333233
Energy: 1.731306736604915

minimum gb energy = 1.383717267158573 eV
minimum distance =  2.13607300393192 Angstroms
sigma value = 23