Model name: model_name=EAM_Dynamo_SongMendelev_2021_AlSm__MO_722733117926_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044527357816695
cohesive_energy=3.312098846316254
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.77775771743116e-19, 3.2567604656981396e-19, 3.5641700964637196e-19, 3.7959249465718196e-19, 3.9813288266582995e-19, 4.13199751731966e-19, 4.26271910888772e-19, 4.38153652806516e-19, 4.49003592971964e-19, 4.589434968093e-19, 4.68063086210028e-19, 4.763703720573179e-19, 4.83863752174536e-19, 4.90713057284886e-19, 4.97200270475952e-19, 5.035128464139119e-19, 5.09645978568864e-19, 5.15413814451264e-19, 5.20489510027776e-19, 5.24567049561306e-19, 5.275150545678659e-19, 5.29373579463306e-19, 5.3032847673717e-19, 5.30615266354656e-19, 5.3028682014468595e-19, 5.290483376066039e-19, 5.2616281748877e-19, 5.20244377002774e-19, 5.0925184311689995e-19, 4.906505723961599e-19, 4.61470129361118e-19, 4.18238597245896e-19, 3.5692810399261796e-19, 2.7297885490091996e-19, 1.6145935029134997e-19, 1.75970264065488e-20, -1.6201530558334799e-19, -3.7687680526255195e-19, -6.1755097269213e-19, -8.55725744572668e-19, -1.024910790593166e-18, -9.81241864256862e-19, -4.21680072655728e-19, 1.2872832361770058e-18, 5.47316355587472e-18, 1.496674904827734e-17, 3.60159694263396e-17, 8.30835930563478e-17, 1.9182059750565e-16, 4.575271726648439e-16, 1.1634349823688059e-15, 3.2800240704238195e-15, 1.0877946213010319e-14, 4.6983349139059796e-14]
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: 0.01249903614563512
Energy: 0.2658548510931184
Energy: 0.5161129642008534
Energy: 0.4064417450216044
Energy: 0.4065054352327264
Energy: 0.17700116159440324
Energy: 0.012747976601009257
Energy: 0.0709818746245023
Energy: 0.40675313360719756
Energy: 0.1344954201337825
Energy: 0.3607290719901682
Energy: 0.33668253890901406
Energy: 0.013282571102243597
Energy: 0.07089377323447499
Energy: 0.012757623249179768
Energy: 0.4065878102370539
Energy: 0.3588722455822574
Energy: 0.35920785924327714
Energy: 0.3362069678604489
Energy: 0.07082621801794364
Energy: 0.07222627302537926
Energy: 0.014037329386380247
Energy: 0.2659839370204249
Energy: 0.35883628659671024
Energy: 0.40643316699100024
Energy: 0.40645061584163283
Energy: 0.07090021708542862
Energy: 0.012787177799653963
Energy: 0.1772187871680074
Energy: 0.40801656010788295
Energy: 0.13476587338535698
Energy: 0.264930472483842
Energy: 0.2648485212720951
Energy: 0.013358611991999343
Energy: 0.07078632363909447
Energy: 0.012890265666299455
Energy: 0.4066555453969369
Energy: 0.35896171767243573
Energy: 0.35972164081502356
Energy: 0.33570859183301976
Energy: 0.07085431257573344
Energy: 0.07195492281564254

minimum gb energy = 0.01249903614563512 eV
minimum distance =  2.8355978679929 Angstroms
sigma value = 5


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

Energy: 0.5647708840088835
Energy: 0.7145489777948283
Energy: 0.5789174081399133
Energy: 0.6211250232823152
Energy: 0.6043616084109806
Energy: 0.6220269447657927
Energy: 0.6551427932515902
Energy: 0.5113737443761444
Energy: 0.572216034558351
Energy: 0.5412369691482469
Energy: 0.6105362706087495
Energy: 0.593251562265527
Energy: 0.5344331193835989
Energy: 0.5978142687129754
Energy: 0.5787746808437284
Energy: 0.6070100027114492
Energy: 0.6115066651193738
Energy: 0.6140518541738625
Energy: 0.6399782547369992
Energy: 0.5842222404291656
Energy: 0.619696551660129
Energy: 0.5627894014445766
Energy: 0.648951161212198
Energy: 0.5145462618778578
Energy: 0.5924056722408169
Energy: 0.5882155621768383
Energy: 0.5547523652236221
Energy: 0.6336892177734372
Energy: 0.5822233276254948
Energy: 0.6176427177795004
Energy: 0.5527802905237095
Energy: 0.5871875993864745
Energy: 0.556875628465382
Energy: 0.6097061839072606
Energy: 0.6663777696617783
Energy: 0.5551725447433297
Energy: 0.5957292911355362
Energy: 0.5526784790127082
Energy: 0.5370650710889195
Energy: 0.5530068239599263
Energy: 0.5545644679123378
Energy: 0.6386434698712928
Energy: 0.5820049875605717
Energy: 0.5872783950932944
Energy: 0.5713942993729221
Energy: 0.6020931978535091
Energy: 0.6020672181773906
Energy: 0.5854714508183329
Energy: 0.6748050094567041
Energy: 0.5164608240014446
Energy: 0.6262886898925496
Energy: 0.5686142281815095
Energy: 0.595004626931429
Energy: 0.6088344155062353
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Energy: 0.588014681246903
Energy: 0.5712877177464629
Energy: 0.5591205224363065
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Energy: 0.5493351794436142
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Energy: 0.5926207577859665
Energy: 0.5281640988318206
Energy: 0.6041006917949598
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Energy: 0.5707154656143532
Energy: 0.5582135858580964
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Energy: 0.6028654157187914
Energy: 0.5765285945894411
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Energy: 0.6252050608037749
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Energy: 0.5160084873698411
Energy: 0.5953815379491773
Energy: 0.5472575972614636
Energy: 0.6043779934366238
Energy: 0.5734363929711543
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Energy: 0.6079709545514481
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Energy: 0.6047058132721178
Energy: 0.5886389534523881
Energy: 0.6157684245184719
Energy: 0.6162837426617865
Energy: 0.5834015433245742
Energy: 0.6180144716799211
Energy: 0.564057720911121
Energy: 0.6415829645153246
Energy: 0.514015562031534
Energy: 0.6110179216898963
Energy: 0.6107452700209063
Energy: 0.5896441203054723
Energy: 0.6095314605847212
Energy: 0.596281997313577
Energy: 0.6135605508361264
Energy: 0.5545886609472213
Energy: 0.5272942707258176
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Energy: 0.6124402226347433
Energy: 0.6642118489792735
Energy: 0.6104524198085722
Energy: 0.6030554044028247
Energy: 0.5532275602219239
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Energy: 0.538680154381285
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Energy: 0.5498497201815117
Energy: 0.6282497830011675
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Energy: 0.5754847954086502
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Energy: 0.584619665231008
Energy: 0.5840964891890582
Energy: 0.6016018884771226
Energy: 0.5924281665983051
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Energy: 0.5575755171326462
Energy: 0.5750592357225774
Energy: 0.6153081028598919
Energy: 0.5311673847698546
Energy: 0.608141250822397
Energy: 0.5442172622052919
Energy: 0.5586411633630147
Energy: 0.5987755616458544
Energy: 0.546194915312195
Energy: 0.6365079159052298
Energy: 0.6224765615654486
Energy: 0.6212671469049222
Energy: 0.5597712013994667
Energy: 0.5879309418266739
Energy: 0.58273253291333
Energy: 0.6084568966822029
Energy: 0.6256371715686508
Energy: 0.558474383733234
Energy: 0.6219660489097546
Energy: 0.5218870148588854
Energy: 0.5682978161477102
Energy: 0.5366667554435113
Energy: 0.5360175990559061
Energy: 0.6451312392930798
Energy: 0.5785198797373978
Energy: 0.6692680046927184
Energy: 0.5764551354329829
Energy: 0.5748884416917226
Energy: 0.582577438290735
Energy: 0.5712029638707633
Energy: 0.6134001929024538
Energy: 0.5301521557615738
Energy: 0.6187447338081593
Energy: 0.5469758233332911
Energy: 0.5737969084589544
Energy: 0.5839157644806001
Energy: 0.5385443161181674
Energy: 0.6340631270927838
Energy: 0.5934930281723267
Energy: 0.5932716213703783
Energy: 0.588233270496182
Energy: 0.6181098774206554
Energy: 0.658198099834485
Energy: 0.5927320605510971
Energy: 0.600119355640263
Energy: 0.5244244574020183
Energy: 0.5860581833153551
Energy: 0.5680274810913714
Energy: 0.6348347286821304
Energy: 0.5897584292884621
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Energy: 0.5944743269971343
Energy: 0.5699608070440011
Energy: 0.5943754929437423
Energy: 0.5602977660709572
Energy: 0.599143147776379
Energy: 0.6112957891180041
Energy: 0.559861387038363
Energy: 0.5745466815062233

minimum gb energy = 0.5113737443761444 eV
minimum distance =  2.56440231614897 Angstroms
sigma value = 401


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

Energy: 0.5419064153802519
Energy: 0.6457246651680546
Energy: 0.5695830502866663
Energy: 0.6480546939391405
Energy: 0.6741519571399577
Energy: 0.5309901720730398
Energy: 0.549657737021482
Energy: 0.5586835454800563
Energy: 0.5147125188998883
Energy: 0.5344223190767656
Energy: 0.6099506766271616
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Energy: 0.6209953938358475
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Energy: 0.5491866174708265
Energy: 0.6251688710860214
Energy: 0.5224184207085592
Energy: 0.5974743945478926
Energy: 0.5482935972494276
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Energy: 0.6299506482018908
Energy: 0.5390121046492966
Energy: 0.6330085493367659
Energy: 0.5676609632872649
Energy: 0.5349199719655242
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Energy: 0.608612612000296
Energy: 0.6031039179469119
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Energy: 0.6229297014115687
Energy: 0.5564488494429897
Energy: 0.5366036347966969
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Energy: 0.5190133896595643
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Energy: 0.599977149149377
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Energy: 0.516100910216828
Energy: 0.511049835063227
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Energy: 0.5117864512534649
Energy: 0.5581730125952818
Energy: 0.6341899722407599
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Energy: 0.5890461551111037
Energy: 0.5629204880778962
Energy: 0.6143069445521492
Energy: 0.5653291383061776
Energy: 0.5138790626717581
Energy: 0.5276714297714797
Energy: 0.5991850970765443
Energy: 0.5507877526302581
Energy: 0.5774166201421831
Energy: 0.577842179508047
Energy: 0.5700651666302061
Energy: 0.5724003209427249
Energy: 0.5248158857970809
Energy: 0.5492261851993706
Energy: 0.6099432012982468
Energy: 0.5880778975299704
Energy: 0.5443092298985158
Energy: 0.5746433742975346
Energy: 0.6027796630170924
Energy: 0.5526359425815276
Energy: 0.5779748281303017
Energy: 0.596488405675616
Energy: 0.5501372355020873
Energy: 0.5389880935543008
Energy: 0.5431042721550525
Energy: 0.6190809969567027
Energy: 0.6250076849517362
Energy: 0.5662329891235394
Energy: 0.5966884904206425
Energy: 0.5181074407386468
Energy: 0.5481990782123278
Energy: 0.5786300632677259
Energy: 0.6886686856080922
Energy: 0.6051020182715617
Energy: 0.5668772587358792
Energy: 0.5521075968596459
Energy: 0.5411017751419819
Energy: 0.5169256297575894
Energy: 0.5235222650262216
Energy: 0.5752724269849004
Energy: 0.5879234396187495
Energy: 0.5223815568015358
Energy: 0.5355178508009708
Energy: 0.5221648262708515
Energy: 0.5264358650672926
Energy: 0.5727610769712197
Energy: 0.5757274329469029
Energy: 0.5963838457712753
Energy: 0.5290010989870512
Energy: 0.5350288499737381
Energy: 0.518340001593787
Energy: 0.597875085787135
Energy: 0.5214136142763788
Energy: 0.5145691358919458
Energy: 0.608898527477411
Energy: 0.5766250348107935
Energy: 0.5950982855432626
Energy: 0.6045250337285296
Energy: 0.5912289191997374
Energy: 0.571376490606411
Energy: 0.595576171102147
Energy: 0.5682575837249679
Energy: 0.5687059912861708
Energy: 0.6155349374601494
Energy: 0.5458957668345318
Energy: 0.6246550162582267
Energy: 0.5405290604981345
Energy: 0.5647477497575726
Energy: 0.5137054150060952
Energy: 0.5478455046405649
Energy: 0.5966890256482551
Energy: 0.5580044852539526
Energy: 0.5915601779222392
Energy: 0.5620952913905912
Energy: 0.5324137737750521
Energy: 0.5273875019057536
Energy: 0.6056247683903836
Energy: 0.6313745929382585
Energy: 0.553830064114027
Energy: 0.5923211567280248
Energy: 0.5168975744034935
Energy: 0.5521680222592891
Energy: 0.5232948224141224
Energy: 0.5492729224645966
Energy: 0.6019299715695718
Energy: 0.6002425312579154
Energy: 0.6203006481142909
Energy: 0.593284570883202
Energy: 0.5581576136923287
Energy: 0.544840774053667
Energy: 0.5732037605471589
Energy: 0.6216219616010022
Energy: 0.516822952415905
Energy: 0.5610263464891144
Energy: 0.5389672272830818
Energy: 0.5578361098345115
Energy: 0.5794631697988433
Energy: 0.5607935418963286
Energy: 0.5896643273309184
Energy: 0.5402601244634668
Energy: 0.5541821569479222
Energy: 0.5693537948637498
Energy: 0.6514874602221633
Energy: 0.6313688418556979
Energy: 0.6136998210474375
Energy: 0.5590952460877884
Energy: 0.5574605281235668
Energy: 0.5025942306670854
Energy: 0.5214846848778012
Energy: 0.6390987164286357
Energy: 0.6199060660128242
Energy: 0.5230302293953438
Energy: 0.5638852078112494

minimum gb energy = 0.49646715034004957 eV
minimum distance =  2.54433703044634 Angstroms
sigma value = 311


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

Energy: 0.535777253618941
Energy: 0.5733993969682677
Energy: 0.549705202748371
Energy: 0.5789419972867649
Energy: 0.5730531143993137
Energy: 0.5332989674694272
Energy: 0.5473046112515054
Energy: 0.50982893091099
Energy: 0.5905951749687223
Energy: 0.5202079955048935
Energy: 0.5323024459664836
Energy: 0.5770878066032278
Energy: 0.5486747876739848
Energy: 0.5739024488184975
Energy: 0.5332421954347107
Energy: 0.5880574688438738
Energy: 0.5240259738674511
Energy: 0.5712366191196352
Energy: 0.5784624742223082
Energy: 0.5365896750242534
Energy: 0.594638142787908
Energy: 0.5041285218571471
Energy: 0.6001577435252228
Energy: 0.5235838428056159
Energy: 0.6093534986813893
Energy: 0.5485717515057904
Energy: 0.5269641008125133
Energy: 0.5805158325851493
Energy: 0.5344499550050202
Energy: 0.5743809127734361
Energy: 0.5340457761457594
Energy: 0.556441538145576
Energy: 0.5381000263620104
Energy: 0.5614099345713579
Energy: 0.539370934237353
Energy: 0.5353890450694235
Energy: 0.5733005441921607
Energy: 0.5268721320724263
Energy: 0.5418928910968196
Energy: 0.5413829653242462
Energy: 0.5205510925117801
Energy: 0.5702283072992275
Energy: 0.5418114957731809
Energy: 0.591641816962602
Energy: 0.5588030993893012
Energy: 0.5735927338644179
Energy: 0.5692865963902681
Energy: 0.538289435295007
Energy: 0.6006024180991257
Energy: 0.5305616972196004
Energy: 0.5936439013708368
Energy: 0.5177678294227145
Energy: 0.5773395140202869
Energy: 0.5422920478029827
Energy: 0.5415305700399536
Energy: 0.576577005096185
Energy: 0.5496599996937006
Energy: 0.6013570523322311
Energy: 0.5518324801235578
Energy: 0.5898736399179619
Energy: 0.5723832034499674
Energy: 0.5345039865908019
Energy: 0.571563597640863
Energy: 0.5028675333456489
Energy: 0.566731958803409
Energy: 0.5386136653517822
Energy: 0.6092503534176316
Energy: 0.5472356240972255
Energy: 0.5143499665755306
Energy: 0.5729396771898851
Energy: 0.5745765908586858
Energy: 0.548116772318244
Energy: 0.5312674532440943
Energy: 0.5779362242072625
Energy: 0.5497374543620173
Energy: 0.5832120723307475
Energy: 0.5591809872571323
Energy: 0.5220329413240842
Energy: 0.5565295148496107
Energy: 0.5262108545688379
Energy: 0.5391265346851968
Energy: 0.535592277517863
Energy: 0.5483932714413244
Energy: 0.5400412704152376
Energy: 0.5574002096044335
Energy: 0.5853101048476439
Energy: 0.5444946768535622
Energy: 0.5699888160334139
Energy: 0.5920073484661181
Energy: 0.5336357825785798
Energy: 0.5867632342259467
Energy: 0.5290252247589372
Energy: 0.5835562732207552
Energy: 0.5157046539581429
Energy: 0.5391966629424397
Energy: 0.5859182130785595
Energy: 0.5554370135524088
Energy: 0.6077996066317183
Energy: 0.5701905332092582
Energy: 0.5966697208439201
Energy: 0.5619977600015192
Energy: 0.5887460888340872
Energy: 0.5808117111552009
Energy: 0.5847887847223068
Energy: 0.5355122065569936
Energy: 0.5201773236844062
Energy: 0.5717508479876703
Energy: 0.5504384472854783
Energy: 0.6001315063656895
Energy: 0.5253029666870647
Energy: 0.495741223007793
Energy: 0.5619756959801139
Energy: 0.55673016187662
Energy: 0.6213818036523722
Energy: 0.559948526980686
Energy: 0.5675046142822516
Energy: 0.5522796311318735
Energy: 0.5604667275665193
Energy: 0.5579467733009063
Energy: 0.5197554111529588
Energy: 0.561913221790413
Energy: 0.5313123913618928
Energy: 0.5644099272765621
Energy: 0.5216024633567256
Energy: 0.5249390048540922
Energy: 0.5711175745807111
Energy: 0.5584311199508993
Energy: 0.5973276694491988
Energy: 0.5341620851288801
Energy: 0.5667147684869469
Energy: 0.5760146420408372
Energy: 0.5309218322669756
Energy: 0.5713019656010384
Energy: 0.5226206918082851
Energy: 0.5828664614854155
Energy: 0.5284916631536589
Energy: 0.5549123232205958
Energy: 0.5763254890933935
Energy: 0.5432416612132269
Energy: 0.564469180929317
Energy: 0.5519757332126681
Energy: 0.5765197388706272
Energy: 0.523181174532837
Energy: 0.6103747881408459
Energy: 0.5668687004863093
Energy: 0.5529852205179033
Energy: 0.575120528677014
Energy: 0.5106574675048761
Energy: 0.5653091881191221
Energy: 0.5092830074805829
Energy: 0.5692272457962216
Energy: 0.5347726461314961
Energy: 0.5326606220985685
Energy: 0.543757855957328
Energy: 0.5811839992592348
Energy: 0.5649743644815246
Energy: 0.5243462171213558
Energy: 0.5767629416330917
Energy: 0.5542192406812829
Energy: 0.5667787427495679
Energy: 0.5660631323408136
Energy: 0.5445732709019068
Energy: 0.5516830121840877
Energy: 0.5357827922080299
Energy: 0.5698679536064221
Energy: 0.5473850512987746
Energy: 0.5215288538675776
Energy: 0.5699022135651721
Energy: 0.5455038616297716
Energy: 0.576795689849409
Energy: 0.5391737308023437
Energy: 0.5808519921122416
Energy: 0.5693289259027733
Energy: 0.5519190352243312
Energy: 0.5861669357143683
Energy: 0.5456640057674739
Energy: 0.6011390630961035
Energy: 0.5352751721309104
Energy: 0.5627669221195749
Energy: 0.5818743021355871
Energy: 0.5433711965706975
Energy: 0.5708492681567581
Energy: 0.5312724650049295
Energy: 0.6101872716616462
Energy: 0.5539872682048554
Energy: 0.5784611300225208
Energy: 0.5718138029894788
Energy: 0.5183111537104906
Energy: 0.5755656641177809
Energy: 0.5297556070138107
Energy: 0.5654645038409609
Energy: 0.5341820092370981
Energy: 0.5493094962453244
Energy: 0.5662277612046037
Energy: 0.5152670450321348
Energy: 0.5609748893812473
Energy: 0.560929203434392
Energy: 0.5586786516334611
Energy: 0.5277609805506086
Energy: 0.5643382945789939
Energy: 0.5617981352672154
Energy: 0.5373856487402788
Energy: 0.5771104319055623
Energy: 0.5450528430069487
Energy: 0.5536502022496647
Energy: 0.5528940540900165
Energy: 0.5889154904660863
Energy: 0.5576345259286104
Energy: 0.5383069907462754
Energy: 0.5696678898118237
Energy: 0.5719318936871235
Energy: 0.5872610502368157
Energy: 0.5492718578532245
Energy: 0.5824110042571498
Energy: 0.5969667038736562
Energy: 0.5692812135684158
Energy: 0.6033792239992336
Energy: 0.5285554677417302
Energy: 0.5680679754341802
Energy: 0.5168989088147957
Energy: 0.583253961533456
Energy: 0.5597629767179522
Energy: 0.54236129996646
Energy: 0.5915586400722923
Energy: 0.5188461260547326
Energy: 0.5204977121575994
Energy: 0.5399916384848423
Energy: 0.5814819393847092
Energy: 0.5577659794543369
Energy: 0.5145667236952449
Energy: 0.6027765758625622
Energy: 0.5278771626535935
Energy: 0.5632353669569348
Energy: 0.534422488336449
Energy: 0.5482872858225024
Energy: 0.5328202643333336
Energy: 0.5434230326641777
Energy: 0.5556587701899689
Energy: 0.5551821571136635
Energy: 0.565290200114925
Energy: 0.5446249618451624
Energy: 0.5585789110393078
Energy: 0.5378398700970738
Energy: 0.5624601991861947
Energy: 0.5304150944349901
Energy: 0.5315621253538425
Energy: 0.553714141272506
Energy: 0.5403486518042361
Energy: 0.570402475890622
Energy: 0.545644441728125
Energy: 0.533420682560404
Energy: 0.5547562166383658

minimum gb energy = 0.495741223007793 eV
minimum distance =  2.51795662154641 Angstroms
sigma value = 39


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

Energy: 0.4852469201034718
Energy: 0.6372307441541757
Energy: 0.6554911195589793
Energy: 0.5692579935964133
Energy: 0.5584610138914725
Energy: 0.5416936472214992
Energy: 0.4682341106587677
Energy: 0.49000304490076185
Energy: 0.5276322716275123
Energy: 0.5312362419677098
Energy: 0.5236226699017884
Energy: 0.5068705693177872
Energy: 0.4895754252050726
Energy: 0.6268629661995038
Energy: 0.4889072443710809
Energy: 0.5277465936792219
Energy: 0.5390254066089462
Energy: 0.5168676772227516
Energy: 0.5082046544503885
Energy: 0.5151865438574119
Energy: 0.49232397789952037
Energy: 0.49482648717476285
Energy: 0.5046998067209043
Energy: 0.54303353166655
Energy: 0.5276227548219522
Energy: 0.5271931019227245
Energy: 0.5362882653076188
Energy: 0.5765475720986104
Energy: 0.5211782908279317
Energy: 0.5050209715459739
Energy: 0.5398414833470555
Energy: 0.5168412686995923
Energy: 0.5984261107854111
Energy: 0.5803921954000403
Energy: 0.4896368757454596
Energy: 0.4602394297067328
Energy: 0.5031734202683177
Energy: 0.5063473923438185
Energy: 0.5460908377949582
Energy: 0.5273408039773312
Energy: 0.4904698177258037
Energy: 0.5553189732910012
Energy: 0.5291806476363337
Energy: 0.6049672032651493
Energy: 0.5037108075887476
Energy: 0.6315016179479932
Energy: 0.46505600580752743
Energy: 0.4702630843556602
Energy: 0.5076735838307898
Energy: 0.4610643639221075
Energy: 0.5262015014216885
Energy: 0.5575685654360635
Energy: 0.513217512667977
Energy: 0.5577503199932408
Energy: 0.49817555963054583
Energy: 0.4898035761474115
Energy: 0.4602493181084274
Energy: 0.5261594015427302
Energy: 0.6329074358444323
Energy: 0.509981655578815
Energy: 0.5065619484506081
Energy: 0.5929383022408637
Energy: 0.4897855552540946
Energy: 0.4949181556149319
Energy: 0.5917417779574058
Energy: 0.531067991482014
Energy: 0.5400928722478897
Energy: 0.5277982053734398
Energy: 0.4903993409052937
Energy: 0.48939320243275014
Energy: 0.4947503132055963
Energy: 0.5260689513732321
Energy: 0.5316305244802234
Energy: 0.5029480319382301
Energy: 0.5061017882061666
Energy: 0.4999717794480312
Energy: 0.52491819567519
Energy: 0.5138339708997728
Energy: 0.5033475743985618
Energy: 0.5566974554241734
Energy: 0.5274557487982126
Energy: 0.5240021821640217
Energy: 0.5311844359284661
Energy: 0.5007884304270692
Energy: 0.46862979724381637
Energy: 0.506087222004822
Energy: 0.5482199211029478
Energy: 0.5180242404235306
Energy: 0.5418271732820432
Energy: 0.4984718254929248
Energy: 0.49008026874198796
Energy: 0.5278253360493207
Energy: 0.5118385767797546
Energy: 0.5368270923076109
Energy: 0.6047713784453392
Energy: 0.4625327285455363
Energy: 0.4634922307021199
Energy: 0.5558867002611355
Energy: 0.4646728619342975
Energy: 0.5445998683905233
Energy: 0.5036444107864713
Energy: 0.5166883946911984
Energy: 0.46121061449991585
Energy: 0.46189344807912924
Energy: 0.5539389862922419
Energy: 0.4594082533790979
Energy: 0.5297984086799322
Energy: 0.5471645505812373
Energy: 0.5158448020721162
Energy: 0.558055413853746
Energy: 0.5429446477707935
Energy: 0.4634588578592043
Energy: 0.49031638347380935
Energy: 0.527628370305902
Energy: 0.5309219977446322
Energy: 0.5233773722505665
Energy: 0.5070095654112239
Energy: 0.48974149585903326
Energy: 0.5568195753520595
Energy: 0.4915750748013019
Energy: 0.5279211459062907
Energy: 0.5391889613377382
Energy: 0.5167951840317021
Energy: 0.5080355172890617
Energy: 0.5152739046296856
Energy: 0.4916829700669218
Energy: 0.49482775527984935
Energy: 0.5053388808606574
Energy: 0.5436435985216613
Energy: 0.5273523559433692
Energy: 0.5272568797203683
Energy: 0.5364996399402078
Energy: 0.5769008972694272
Energy: 0.521688794899537
Energy: 0.5054586442082246
Energy: 0.540288074996922
Energy: 0.5166450420188673
Energy: 0.5985773813342962
Energy: 0.5792214211473616
Energy: 0.4895416095330687
Energy: 0.4604036100425664
Energy: 0.5032655820120363
Energy: 0.5064871956883735
Energy: 0.5460484406346664
Energy: 0.5271860980886599
Energy: 0.4612142980501318
Energy: 0.5558116663845422
Energy: 0.5289674716355244
Energy: 0.6050202796946204
Energy: 0.503663392875436
Energy: 0.6316674402373029
Energy: 0.46327179668692936
Energy: 0.4703801026322653
Energy: 0.5073422942357102
Energy: 0.4591003724470549
Energy: 0.5262528800312865
Energy: 0.5165175849052376
Energy: 0.5370751715139382
Energy: 0.5578365595388903
Energy: 0.4970960862499002
Energy: 0.48938277108084977
Energy: 0.45969441992817406
Energy: 0.5260833801991378
Energy: 0.6336015286219323
Energy: 0.5099479616644307
Energy: 0.5067893808484111
Energy: 0.5948329246177769
Energy: 0.4900452666242435
Energy: 0.4955827966797565
Energy: 0.5268598397359671
Energy: 0.5314574098365384
Energy: 0.54118092849021
Energy: 0.5280508197663328
Energy: 0.4911616230597258
Energy: 0.48909308460068557
Energy: 0.4946714351621621
Energy: 0.5256558151608167
Energy: 0.5317459892919699
Energy: 0.5029971870783945
Energy: 0.5062764157931532
Energy: 0.5378416252033249
Energy: 0.5224639435255101
Energy: 0.5133098294307912
Energy: 0.5034780851466903
Energy: 0.5572123690888502
Energy: 0.5274416535025686
Energy: 0.5236670798817519
Energy: 0.5318016641687079
Energy: 0.5003596433624745
Energy: 0.4683277089655977
Energy: 0.5061817197086783
Energy: 0.5481041844020412
Energy: 0.5181042394752117
Energy: 0.5416478436356664
Energy: 0.49740328836088316
Energy: 0.48999544852450677
Energy: 0.5278407893230174
Energy: 0.5117449851593492
Energy: 0.5359254297606998
Energy: 0.6059662501416165
Energy: 0.4627994332694419
Energy: 0.4637248589033967
Energy: 0.5551554815725053
Energy: 0.46432127667272344
Energy: 0.5442698937085951
Energy: 0.5035800858663327
Energy: 0.5039182866700674
Energy: 0.4607479412822264
Energy: 0.4609842627793801
Energy: 0.48970875058484076

minimum gb energy = 0.4591003724470549 eV
minimum distance =  2.55667638046134 Angstroms
sigma value = 21


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

Energy: 0.6295489284404155
Energy: 0.5742531906740089
Energy: 0.6618294044043067
Energy: 0.6614114602945531
Energy: 0.5462554770384332
Energy: 0.47992319309902093
Energy: 0.5585491045175075
Energy: 0.5007767670807285
Energy: 0.546484334136425
Energy: 0.5905623679016772
Energy: 0.626929314588506
Energy: 0.5318899412756876
Energy: 0.5623171822126318
Energy: 0.6372754961469294
Energy: 0.5697943186138157
Energy: 0.5685628608565739
Energy: 0.5030365582977807
Energy: 0.5331670818277151
Energy: 0.49867495306192994
Energy: 0.527487915908572
Energy: 0.560269642452917
Energy: 0.4972811156477869
Energy: 0.5307647306320981
Energy: 0.5497300387208773
Energy: 0.609735263562008
Energy: 0.5633487925736228
Energy: 0.5059610159892185
Energy: 0.5787247338121071
Energy: 0.46771327345587066
Energy: 0.498218029533341
Energy: 0.509264717606439
Energy: 0.5203214657020248
Energy: 0.5241978158053735
Energy: 0.4972242886456853
Energy: 0.5298915405392769
Energy: 0.4582552914395438
Energy: 0.4880571283458088
Energy: 0.5071102770816188
Energy: 0.5031766493624068
Energy: 0.48201240709108933
Energy: 0.46694232270147523
Energy: 0.5051062717392142
Energy: 0.46774420920534165
Energy: 0.4860860757678717
Energy: 0.505258726063993
Energy: 0.49838747369578595
Energy: 0.4574930200392005
Energy: 0.45678182874335355
Energy: 0.5266062316957937
Energy: 0.48463766390316804
Energy: 0.5240786051163804
Energy: 0.5106083713522729
Energy: 0.5510974959501402
Energy: 0.4987407684762975
Energy: 0.47611833112454066
Energy: 0.5312976812598506
Energy: 0.5297245713842026
Energy: 0.5319930260948844
Energy: 0.5102562916746146
Energy: 0.6013210253742441
Energy: 0.5682319578618057
Energy: 0.5210572745998309
Energy: 0.568382876014316
Energy: 0.4678569079696798
Energy: 0.5669217408336973
Energy: 0.5590518256626695
Energy: 0.5396849956330974
Energy: 0.5203365787555994
Energy: 0.5882630979653303
Energy: 0.5557508579497897
Energy: 0.5157780113045737
Energy: 0.568951064111946
Energy: 0.5265740309052139
Energy: 0.5794823559446023
Energy: 0.5288902586169432
Energy: 0.4634605477827305
Energy: 0.6361236048411298
Energy: 0.484435266550949
Energy: 0.5599911143713301
Energy: 0.6267537677944844
Energy: 0.5334797338151849
Energy: 0.5200628273079891
Energy: 0.4562999623274516
Energy: 0.49816174329961543
Energy: 0.45611760895062087
Energy: 0.5838914859170057
Energy: 0.5628006772460983
Energy: 0.6262029660696549
Energy: 0.573427227354643
Energy: 0.49887457365217314
Energy: 0.5748493312610901
Energy: 0.4558327433618265
Energy: 0.5472760272584218
Energy: 0.5314964500701725
Energy: 0.5861629588796229
Energy: 0.5862638463466036
Energy: 0.5925613721179099
Energy: 0.6390836187918787
Energy: 0.5250818841855703
Energy: 0.5684817812843053
Energy: 0.5559363099220449
Energy: 0.5078035928052097
Energy: 0.6440693922789558
Energy: 0.6366466933569845
Energy: 0.5658208008922526
Energy: 0.4972566863437942
Energy: 0.5378518404681809
Energy: 0.5375227364902156
Energy: 0.5824911638699916
Energy: 0.5173450753552533
Energy: 0.5408866282815922
Energy: 0.5665197275363597
Energy: 0.46790508906053296
Energy: 0.4986642394438457
Energy: 0.49590445728348387
Energy: 0.5233637051756558
Energy: 0.5092987513244396
Energy: 0.4886047045462804
Energy: 0.5284379212388679
Energy: 0.4563604885887165
Energy: 0.4969313240368178
Energy: 0.49916171487550787
Energy: 0.589894815348256
Energy: 0.47941017632197136
Energy: 0.505838482681171
Energy: 0.5961315843119871
Energy: 0.45649061836518484
Energy: 0.5147191843076283
Energy: 0.4977633316561933
Energy: 0.5411147121545744
Energy: 0.45689849334213956
Energy: 0.4573091064063978
Energy: 0.5294833100584305
Energy: 0.49302039801766134
Energy: 0.56172207801165
Energy: 0.5212467910654222
Energy: 0.5838315732706271
Energy: 0.4985559917569822
Energy: 0.46872139447457106
Energy: 0.5298169420599133
Energy: 0.4842367502140942
Energy: 0.5319390162788588
Energy: 0.575629545030673
Energy: 0.5943208979990381
Energy: 0.49878349018417273
Energy: 0.5569798382710482
Energy: 0.6657679318660124
Energy: 0.4679512767248302
Energy: 0.537745586650012
Energy: 0.5527929747489372
Energy: 0.5387573747765514
Energy: 0.5513616234762085
Energy: 0.5292268402375787
Energy: 0.5746513936111554
Energy: 0.5632243387845821
Energy: 0.5319302027182949
Energy: 0.6110273416417707
Energy: 0.6169250284186413
Energy: 0.4884057997792054
Energy: 0.5260686828900362
Energy: 0.6385877992913611
Energy: 0.5146388804881594
Energy: 0.5692849907967996
Energy: 0.5713951679662621
Energy: 0.5070571315079483
Energy: 0.5190710036865509
Energy: 0.5747499214530579
Energy: 0.5869169760648772
Energy: 0.45610876044684406
Energy: 0.5410042288191159
Energy: 0.5700135425091309
Energy: 0.5860875726752198
Energy: 0.536251925576005
Energy: 0.5256774706130753
Energy: 0.6380619891436289

minimum gb energy = 0.4558327433618265 eV
minimum distance =  2.5563510535268 Angstroms
sigma value = 113


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

Energy: 0.6319316028665043
Energy: 0.7210073269777793
Energy: 0.6729292812704386
Energy: 0.6517731474698905
Energy: 0.6461142810857669
Energy: 0.6314912461040495
Energy: 0.673463262739224
Energy: 0.6662223594152632
Energy: 0.6595463671581051
Energy: 0.655816766461103
Energy: 0.6947574013743569
Energy: 0.6856392592521586
Energy: 0.6404064626509769
Energy: 0.693454872977699
Energy: 0.6325990408607002
Energy: 0.6750640617199274
Energy: 0.6255565058190395
Energy: 0.6424387293240643
Energy: 0.6355193367129178
Energy: 0.619538065805439
Energy: 0.6506601455420635
Energy: 0.5773694125403197
Energy: 0.6732037535326056
Energy: 0.6143148564507755
Energy: 0.6528248705085344
Energy: 0.6467787420662802
Energy: 0.617127472307468
Energy: 0.6604435873044218
Energy: 0.5939674925169852
Energy: 0.6613514768659366
Energy: 0.6288061092001455
Energy: 0.6343740248337515
Energy: 0.6180217896359868
Energy: 0.6047929235661219
Energy: 0.6083124320674981
Energy: 0.5458063918082934
Energy: 0.6075599858137092
Energy: 0.5996171493451871
Energy: 0.6404847695222323
Energy: 0.6226586462338436
Energy: 0.5601348497240884
Energy: 0.6467533799346078
Energy: 0.6094415465114847
Energy: 0.5993245361916361
Energy: 0.568210390548596
Energy: 0.586648421554295
Energy: 0.587112765759975
Energy: 0.5667358115861808
Energy: 0.6356668208716907
Energy: 0.5615219411578624
Energy: 0.557587672406311
Energy: 0.634874520252422
Energy: 0.6469120555926852
Energy: 0.6158348248899198
Energy: 0.5786939836384573
Energy: 0.5751158030480148
Energy: 0.5610605832029143
Energy: 0.5533604183250841
Energy: 0.5962388208791716
Energy: 0.5709713188913653
Energy: 0.5894988848752646
Energy: 0.576742318335723
Energy: 0.666954085075054
Energy: 0.6013776522236938
Energy: 0.6243017503854784
Energy: 0.6221963924545874
Energy: 0.6199609956702126
Energy: 0.6236574698470155
Energy: 0.5791199568429606
Energy: 0.5851088660154228
Energy: 0.5722271022499373
Energy: 0.5632099960637674
Energy: 0.5880301976489393
Energy: 0.5505405436397657
Energy: 0.6076791654766788
Energy: 0.5843849857259552
Energy: 0.5944693167271237
Energy: 0.5969002719693138
Energy: 0.6304318276297903
Energy: 0.6061603731471592
Energy: 0.6323034617091067
Energy: 0.5832276178113879
Energy: 0.5938111461177704
Energy: 0.6290406526884368
Energy: 0.582109681858893
Energy: 0.5473861133449353
Energy: 0.6045086584522009
Energy: 0.602957241346082
Energy: 0.6106922969170921
Energy: 0.5923909784710745
Energy: 0.5657812723410724
Energy: 0.619017948357835
Energy: 0.5937679350810225
Energy: 0.5954316600960423
Energy: 0.6142069978626873
Energy: 0.6028974549383536
Energy: 0.5437196625516273
Energy: 0.6266831158509789
Energy: 0.5478749547552065
Energy: 0.6204771002311538
Energy: 0.5780939522966348
Energy: 0.6094170219688964
Energy: 0.6200342756481346
Energy: 0.579324788348678
Energy: 0.5794784786243627
Energy: 0.5972143436678995
Energy: 0.603358687087277
Energy: 0.6293855926102057
Energy: 0.6322008052480894
Energy: 0.6148585232922521
Energy: 0.6335351583889847
Energy: 0.648890232168564
Energy: 0.5659177792969683
Energy: 0.63766742150565
Energy: 0.5843414382757085
Energy: 0.6288625285923491
Energy: 0.6192721201943229
Energy: 0.6101463808600375
Energy: 0.6179343631057227
Energy: 0.5520038995671857
Energy: 0.6444354583749826
Energy: 0.5863081014695598
Energy: 0.6645702449999117
Energy: 0.6065790274665701
Energy: 0.624607703131269
Energy: 0.6352461608926168
Energy: 0.6076634654669948
Energy: 0.658454149758739
Energy: 0.6406423745718238
Energy: 0.6698126378965624
Energy: 0.6825619381892492
Energy: 0.6828764340292305
Energy: 0.6523397608707525
Energy: 0.6246785022533892
Energy: 0.6972046500060364
Energy: 0.6174000098115205
Energy: 0.6618064958758259
Energy: 0.643329559270966
Energy: 0.6110156876355246
Energy: 0.6584896475089177
Energy: 0.5977286996031392
Energy: 0.6725673096657243
Energy: 0.6177182027363516
Energy: 0.6435942831329217
Energy: 0.6202563540031502
Energy: 0.5950026552080546
Energy: 0.6611738528469336
Energy: 0.6649914278235023
Energy: 0.6598780540231148
Energy: 0.6173263079881482
Energy: 0.6943390130793156
Energy: 0.651767447399969
Energy: 0.559629956743093
Energy: 0.6608086369348293
Energy: 0.6025386343355619
Energy: 0.6670137005460559
Energy: 0.6744083925140851
Energy: 0.6515766389225458
Energy: 0.641800730716907
Energy: 0.6088500930185428
Energy: 0.6200238971538036
Energy: 0.68529908231175
Energy: 0.6587413193137628
Energy: 0.6626021626002314
Energy: 0.6758918839194538
Energy: 0.6856324679458616
Energy: 0.6408820644071507
Energy: 0.6933169445686398
Energy: 0.5847375677069945
Energy: 0.6775165654340984
Energy: 0.6240538486165687
Energy: 0.6622736064059042
Energy: 0.6242615933804454
Energy: 0.6341848730604902
Energy: 0.6273251216589709
Energy: 0.6094303344661477
Energy: 0.667864247740522
Energy: 0.6154843235792239
Energy: 0.6532809067890721
Energy: 0.6487262366516378
Energy: 0.6188899191092
Energy: 0.658343709256136
Energy: 0.6120853414282187
Energy: 0.6628630780651646
Energy: 0.627364981902349
Energy: 0.6345736201454348
Energy: 0.6447555919274914
Energy: 0.6394287642112625
Energy: 0.613873288750252
Energy: 0.5455412706044914
Energy: 0.6060934004812427
Energy: 0.5943948860019779
Energy: 0.6403449417626461
Energy: 0.6203931292185508
Energy: 0.5621901567412491
Energy: 0.6320464194088927
Energy: 0.6215763503324693
Energy: 0.5982126112255487
Energy: 0.5454455989453761
Energy: 0.6177215723549009
Energy: 0.5845603332549872
Energy: 0.5698435441535858
Energy: 0.6474204510424009
Energy: 0.5605086917155739
Energy: 0.5588009439794824
Energy: 0.6047329486844504
Energy: 0.6462142964135539
Energy: 0.6438819234615408
Energy: 0.6025863869139648
Energy: 0.576516948120905
Energy: 0.5716691299868306
Energy: 0.5732327073492092
Energy: 0.5961968883660528
Energy: 0.5714480681985796
Energy: 0.6206558843770967
Energy: 0.578263623408142
Energy: 0.6682063791657193
Energy: 0.5870834508972843
Energy: 0.6245081305263493
Energy: 0.5734499714845256
Energy: 0.6226913578522109
Energy: 0.6178943315408265
Energy: 0.6036053299188929
Energy: 0.5782419624954089
Energy: 0.6071152711291791
Energy: 0.5647909343732129
Energy: 0.6047484451701519
Energy: 0.5982503789623741
Energy: 0.6074431926636635
Energy: 0.5960059872199496
Energy: 0.6370864809782801
Energy: 0.5960465877599918
Energy: 0.5770322910751999
Energy: 0.6113986452288968
Energy: 0.6039568291785162
Energy: 0.5995602311853732
Energy: 0.5952685850192903
Energy: 0.6383249646858359
Energy: 0.5973464994596476
Energy: 0.5460692515935824
Energy: 0.6049110711596078
Energy: 0.6030374560634076
Energy: 0.6387629027521323
Energy: 0.6102816153881143
Energy: 0.5654988047844438
Energy: 0.6141819344007974
Energy: 0.582763697194082
Energy: 0.5952782332147433
Energy: 0.615829633548843
Energy: 0.6083506934902994
Energy: 0.5434631897503864
Energy: 0.614704416964365
Energy: 0.5526395535331716
Energy: 0.604292018696773
Energy: 0.5905090496397221
Energy: 0.5793677128715503
Energy: 0.6188632263445635
Energy: 0.5782021696954827
Energy: 0.5831882195584929
Energy: 0.594056052701508
Energy: 0.603092053160506
Energy: 0.582429585026454
Energy: 0.5948734425740937
Energy: 0.6376929933748713
Energy: 0.6315154166852596
Energy: 0.6470197153402703
Energy: 0.5422293328269746
Energy: 0.6378662375153447
Energy: 0.5777391179169185
Energy: 0.6386095591175645
Energy: 0.6209186018721068
Energy: 0.5806874108359776
Energy: 0.6205249671235146
Energy: 0.5526045881695426
Energy: 0.6430811590035764
Energy: 0.5869365469075849
Energy: 0.623209685283583
Energy: 0.6540020919092688
Energy: 0.6160835169048922
Energy: 0.6337317836521156
Energy: 0.6527351571459514
Energy: 0.6581622321400177
Energy: 0.6086200560474808
Energy: 0.6706709313841018
Energy: 0.685384931159418
Energy: 0.6767811143045518
Energy: 0.6532238509907029
Energy: 0.611020405893278
Energy: 0.6970413306563082
Energy: 0.6096266344029397
Energy: 0.6621898568362191
Energy: 0.6242594580945457
Energy: 0.6108199882097557
Energy: 0.701005640481296
Energy: 0.6684517598859749
Energy: 0.672448857077978
Energy: 0.588735608418944
Energy: 0.6756871592576414
Energy: 0.6190557702898981
Energy: 0.5944234932883363
Energy: 0.6936485440387202
Energy: 0.6576905704201821
Energy: 0.6599025274029352
Energy: 0.6168074323731862
Energy: 0.6501941530381786
Energy: 0.6203312803316182
Energy: 0.5597323480873351
Energy: 0.6611200932101275
Energy: 0.6022361600300103
Energy: 0.6654510057856137
Energy: 0.616424892200858
Energy: 0.6510009670597807
Energy: 0.6418858280527976
Energy: 0.6079227577066458
Energy: 0.6259604883211852

minimum gb energy = 0.5422293328269746 eV
minimum distance =  2.51459559294779 Angstroms
sigma value = 365


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

Energy: 0.5502334303734397
Energy: 0.626484709029812
Energy: 0.542233565124518
Energy: 0.5424555190050718
Energy: 0.5418447211968951
Energy: 0.5449027904996813
Energy: 0.5434467158864653
Energy: 0.5478200198273416
Energy: 0.6105755945192246
Energy: 0.545812503083636
Energy: 0.5191607083567452
Energy: 0.5457273032585519
Energy: 0.5459944374592117
Energy: 0.6103116789057564
Energy: 0.5465772796740543
Energy: 0.6106165810509029
Energy: 0.5455659212598415
Energy: 0.542830962656137
Energy: 0.5435621797134755
Energy: 0.5460889201115412
Energy: 0.5148795451896958
Energy: 0.5482120128806974
Energy: 0.6112612445637439
Energy: 0.5478638519310729
Energy: 0.542308679080157
Energy: 0.5423009761693107
Energy: 0.5515088778933864
Energy: 0.5425142845097135
Energy: 0.5362224787482981
Energy: 0.6099078208350838
Energy: 0.5336979398186337
Energy: 0.6133296681750753
Energy: 0.5180359822066858
Energy: 0.5335091539126149
Energy: 0.6187792223062012
Energy: 0.5521595533524033
Energy: 0.6096129708233984
Energy: 0.5440566060081017
Energy: 0.5415774034606448
Energy: 0.5419306421718182
Energy: 0.5428548217704836
Energy: 0.5426490727900115
Energy: 0.5468725557813768
Energy: 0.6103339933512275
Energy: 0.5451959788168518
Energy: 0.5466721383333949
Energy: 0.5455601405883341
Energy: 0.5454727570856744
Energy: 0.6102771372849918
Energy: 0.5465599243686807
Energy: 0.6105168544311577
Energy: 0.5451525572929702
Energy: 0.5504725258065895
Energy: 0.5468879658213273
Energy: 0.545449675310723
Energy: 0.6101735610113853
Energy: 0.5477206445096188
Energy: 0.6108054827105613
Energy: 0.5441604771875985
Energy: 0.5421358645896541
Energy: 0.5419980850232589
Energy: 0.54294587909855
Energy: 0.5424309317650465
Energy: 0.536064930191088
Energy: 0.6225504468628831
Energy: 0.5333948433021497
Energy: 0.613118766371686
Energy: 0.6118387333795244
Energy: 0.5332914335183303
Energy: 0.6123046261373724
Energy: 0.5476801977362636
Energy: 0.610425985139784
Energy: 0.553098268485902
Energy: 0.542349138387794
Energy: 0.5420029957264975
Energy: 0.5524436907570648
Energy: 0.5426392079764609
Energy: 0.546529639309322
Energy: 0.6103893533631786
Energy: 0.5451986582384418
Energy: 0.5439418973762931
Energy: 0.5488622932410087
Energy: 0.545716903244339
Energy: 0.6104040694873175
Energy: 0.5474032319570957
Energy: 0.6104073326912761
Energy: 0.5455580504249874
Energy: 0.5456357919521706
Energy: 0.5460442118508996
Energy: 0.5456195225171143
Energy: 0.6102367334916747
Energy: 0.5508437857437569
Energy: 0.6096927792177549
Energy: 0.5437866138725143
Energy: 0.542481890947894
Energy: 0.5417258777976505
Energy: 0.544588164400692
Energy: 0.5432386894499
Energy: 0.5362428292267598
Energy: 0.6104026310723735
Energy: 0.5338642799133816
Energy: 0.5179738521976709
Energy: 0.5455620648967124
Energy: 0.5447549129647042
Energy: 0.622969184706834
Energy: 0.5470270263473652
Energy: 0.6107448805047395
Energy: 0.5465513065940488
Energy: 0.5423510485591757
Energy: 0.5427156716415108
Energy: 0.5488456925790841
Energy: 0.5428394348899169
Energy: 0.5469840706902649
Energy: 0.6105877765513781
Energy: 0.5458649579790817
Energy: 0.5423225219538302
Energy: 0.5426518690410578
Energy: 0.5473187587623183
Energy: 0.5424973462556493
Energy: 0.5363420505323664
Energy: 0.610478415983011
Energy: 0.5443182007104791
Energy: 0.5455705114847973
Energy: 0.5175369993134359
Energy: 0.5452057383760713
Energy: 0.6102323745021508
Energy: 0.550333605163177
Energy: 0.609679358051156
Energy: 0.5458641357129642
Energy: 0.5422234056457458
Energy: 0.5418465022348664
Energy: 0.5427615411108822
Energy: 0.5426553913239156
Energy: 0.5476096144605509
Energy: 0.6103774127835513
Energy: 0.5455541931592339
Energy: 0.5177354289667174
Energy: 0.5455095805868938
Energy: 0.5458998266580339
Energy: 0.6099034995586351

minimum gb energy = 0.5148795451896958 eV
minimum distance =  2.59126974588561 Angstroms
sigma value = 23