Model name: model_name=EAM_QuinticHermiteSpline_ErcolessiAdams_1994_Al__MO_781138671863_002
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=4.0320824623107905
cohesive_energy=3.3602642540255827
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=[2.0219469121079998e-19, 2.6564248809383398e-19, 3.0382075510542e-19, 3.40712474279904e-19, 3.6790301393551795e-19, 3.92257700948952e-19, 4.1432768408230197e-19, 4.3352496451088995e-19, 4.498110899954999e-19, 4.63376719555578e-19, 4.745551059309959e-19, 4.8477058414938e-19, 4.95255228042276e-19, 5.04232223722578e-19, 5.1137472715695e-19, 5.171842196318339e-19, 5.22242291265372e-19, 5.266787183649179e-19, 5.30414994275406e-19, 5.333950428146459e-19, 5.35610853099468e-19, 5.371473404914739e-19, 5.38041355053246e-19, 5.38331349024e-19, 5.3801892458037e-19, 5.369967358878779e-19, 5.351269957559999e-19, 5.323231866465e-19, 5.28594921619182e-19, 5.236137544640759e-19, 5.16991958435754e-19]
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: 0.01275786249302001
Energy: 0.01411389992218392
Energy: 0.4136643057432203
Energy: 0.41856210693108703
Energy: 0.4126535272003116
Energy: 0.18187309122037765
Energy: 0.013995934417669763
Energy: 0.013237869672259284
Energy: 0.32146066103916
Energy: 0.1562227360149504
Energy: 0.3182424085872949
Energy: 0.26665017411959135
Energy: 0.013378772268085225
Energy: 0.07158016894546392
Energy: 0.013102001729101058
Energy: 0.32438437053012037
Energy: 0.2052421368768186
Energy: 0.2666319811406574
Energy: 0.3198592866423831
Energy: 0.07081077955245133
Energy: 0.0717733647404271
Energy: 0.014379392307804462
Energy: 0.26531499946897313
Energy: 0.26859222556074624
Energy: 0.4211553152184253
Energy: 0.3212483047244551
Energy: 0.07091017396527016
Energy: 0.013310162376058655
Energy: 0.07107943929143311
Energy: 0.3221825131695499
Energy: 0.15662429926493965
Energy: 0.31748998983603594
Energy: 0.30691441495586574
Energy: 0.013392766362102147
Energy: 0.0712702127572037
Energy: 0.013003497311782686
Energy: 0.32451745314304653
Energy: 0.2048762790753548
Energy: 0.2665821350331893
Energy: 0.32020371705404643
Energy: 0.07076226128781528
Energy: 0.0720462275129256

minimum gb energy = 0.01275786249302001 eV
minimum distance =  2.82492534073117 Angstroms
sigma value = 5


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

Energy: 0.5857171467703485
Energy: 0.6303744345849909
Energy: 0.6192530546854651
Energy: 0.5319850197842221
Energy: 0.6532939150414835
Energy: 0.5655578700642734
Energy: 0.6306641539947472
Energy: 0.5369605827751172
Energy: 0.5995541688141863
Energy: 0.592285898642591
Energy: 0.6051630013186343
Energy: 0.6237832620801462
Energy: 0.5717576703570315
Energy: 0.5802117940851039
Energy: 0.5724147261172566
Energy: 0.5819479182430469
Energy: 0.5892152748790708
Energy: 0.5983362426531778
Energy: 0.6281742399284905
Energy: 0.5772027733412991
Energy: 0.6223978820402049
Energy: 0.5828032908189871
Energy: 0.5910555111978911
Energy: 0.5366760938005302
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Energy: 0.5919783400166231
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Energy: 0.600610567093236
Energy: 0.6018644631040773
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Energy: 0.604452572497119
Energy: 0.5726770857242127
Energy: 0.6177494646731385
Energy: 0.6224861756462283
Energy: 0.5874688050502251
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Energy: 0.6056940789353455
Energy: 0.6117914002538728
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Energy: 0.5824115395985038
Energy: 0.6318457040060685
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Energy: 0.6476276205900086
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Energy: 0.5934998773606879
Energy: 0.6424639259245504
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Energy: 0.5808946909778074
Energy: 0.5689512661858052
Energy: 0.6181720709808166
Energy: 0.6174679043708673
Energy: 0.6083913437765022
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Energy: 0.5721354054722063
Energy: 0.576039914028789
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Energy: 0.5764157736597214
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Energy: 0.62819862735823
Energy: 0.6417890757155241
Energy: 0.6123261493138095
Energy: 0.5693107436481452
Energy: 0.5460850417908306
Energy: 0.5819881463667738
Energy: 0.5847123574389
Energy: 0.5608110346513993
Energy: 0.6046317921029006
Energy: 0.5861391343636635
Energy: 0.6541291483635038
Energy: 0.6008875148686108
Energy: 0.5833963715867929
Energy: 0.5717745395832077
Energy: 0.5981474543534789
Energy: 0.6314924475967375
Energy: 0.5391637525964892
Energy: 0.5902529840348323
Energy: 0.5524899994542137
Energy: 0.5812468648727128
Energy: 0.6061805848329458
Energy: 0.570984297310451
Energy: 0.5992260606996592
Energy: 0.5691496050584444
Energy: 0.5917557058370739
Energy: 0.5921549418599279
Energy: 0.6113444817064774
Energy: 0.6534197980161294
Energy: 0.6246242855387303
Energy: 0.5815398355293705
Energy: 0.536668594167793
Energy: 0.604964281769003
Energy: 0.6223868451548049
Energy: 0.605534687129516
Energy: 0.603602198197641
Energy: 0.5693854962956503
Energy: 0.6055859705435751
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Energy: 0.6214848317727354
Energy: 0.5733984853415817
Energy: 0.588530782422917
Energy: 0.6238055649793949
Energy: 0.5664978904725886
Energy: 0.6070507037600871

minimum gb energy = 0.5279683018869904 eV
minimum distance =  2.54022940754019 Angstroms
sigma value = 401


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

Energy: 0.619427783844486
Energy: 0.606373589861515
Energy: 0.5505123395375283
Energy: 0.5490527646588157
Energy: 0.7134495930664625
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Energy: 0.5751912296471887
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Energy: 0.6330174641506294
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Energy: 0.5721073393546376
Energy: 0.5885441415144866
Energy: 0.5508451282317128
Energy: 0.5584409688666458
Energy: 0.5505251483299908
Energy: 0.5685839000681089
Energy: 0.6277462842123983
Energy: 0.5915425649156247
Energy: 0.5827786956251263
Energy: 0.5521725150421979
Energy: 0.5597416960986716
Energy: 0.5300437112040983
Energy: 0.6626246246112232
Energy: 0.609281122718882
Energy: 0.5373997549245209
Energy: 0.5577745766322848
Energy: 0.5449007082442685
Energy: 0.5746818499485086
Energy: 0.5677254784392176
Energy: 0.6730502979379354
Energy: 0.6149278736676532
Energy: 0.5510514984300795
Energy: 0.5902798673925443
Energy: 0.5508625086141183
Energy: 0.6254450676548173
Energy: 0.5372152949305414
Energy: 0.559499215817676
Energy: 0.6393931235723239
Energy: 0.5833322130454547
Energy: 0.5774027578262036
Energy: 0.6501352848159078
Energy: 0.6590300182386224
Energy: 0.5939631003539979
Energy: 0.5939476126248556
Energy: 0.5960151423517008
Energy: 0.5945719020896315
Energy: 0.6180458832784573
Energy: 0.5652528102476725
Energy: 0.6018338015496896
Energy: 0.562273458068972
Energy: 0.5963399783673883
Energy: 0.5740112565287252
Energy: 0.5693963753945154
Energy: 0.5845649443451258
Energy: 0.6067891029447385
Energy: 0.6132806249717845
Energy: 0.6209062874643648
Energy: 0.5626713037671285
Energy: 0.5337567863284823
Energy: 0.5631133387134154
Energy: 0.6110402689682843
Energy: 0.5523157100337148
Energy: 0.6055541184962574
Energy: 0.5234156917475353
Energy: 0.5512488766393451
Energy: 0.5681991456550464
Energy: 0.5459833758936518
Energy: 0.5649556235779036
Energy: 0.617609215495136
Energy: 0.6433758226890428
Energy: 0.5761143811992698
Energy: 0.591505258848379
Energy: 0.5604364938168167
Energy: 0.59017808095361
Energy: 0.5659560248034152
Energy: 0.5531463037125529
Energy: 0.6271284580325488
Energy: 0.5648687450450127
Energy: 0.6155473345479132
Energy: 0.6052447112934385
Energy: 0.5632560400849546
Energy: 0.5815203811200695
Energy: 0.5631173333119673
Energy: 0.5628301766196455
Energy: 0.5754153903302331
Energy: 0.581192801150101
Energy: 0.6412125024745111
Energy: 0.6090921026778553
Energy: 0.5986010191538848
Energy: 0.5456993023278702
Energy: 0.5488914524789096
Energy: 0.529903984732946
Energy: 0.5581232716534142
Energy: 0.6283191107931865
Energy: 0.5710499673258052
Energy: 0.5718336349671307

minimum gb energy = 0.5204998805482403 eV
minimum distance =  2.58110457479193 Angstroms
sigma value = 311


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

Energy: 0.5711887851148792
Energy: 0.6222656872708262
Energy: 0.5984967174000074
Energy: 0.5841517319057972
Energy: 0.6135548972970982
Energy: 0.5593863164903855
Energy: 0.5566773792128208
Energy: 0.568685324420715
Energy: 0.5487884971070368
Energy: 0.5493905715384749
Energy: 0.5504482521710948
Energy: 0.5499807118800987
Energy: 0.6041125563384865
Energy: 0.6216909058274205
Energy: 0.5702975690707393
Energy: 0.5781068080913117
Energy: 0.5681593852396717
Energy: 0.579482158361438
Energy: 0.5992420181127547
Energy: 0.5869029003388228
Energy: 0.5750830190793014
Energy: 0.5413138307052153
Energy: 0.6150718869212908
Energy: 0.5830380360253712
Energy: 0.5998004587896054
Energy: 0.5338216360513119
Energy: 0.5424746012742679
Energy: 0.5413284365341144
Energy: 0.5484104244033321
Energy: 0.5371843990304078
Energy: 0.5640606615339585
Energy: 0.5621887151357916
Energy: 0.5671844055053658
Energy: 0.594388964641929
Energy: 0.6004158834566836
Energy: 0.5516858136413118
Energy: 0.5604716272533914
Energy: 0.5482167018023953
Energy: 0.5338391489566332
Energy: 0.5608978099615931
Energy: 0.5652983611581256
Energy: 0.5713392610296549
Energy: 0.5713703022562786
Energy: 0.6338438684424651
Energy: 0.5906283806383328
Energy: 0.5791442428125397
Energy: 0.6185658751817293
Energy: 0.5697482981571381
Energy: 0.5881604612898241
Energy: 0.5699596026390056
Energy: 0.549854154709071
Energy: 0.5818128189957095
Energy: 0.555612407307685
Energy: 0.5784231141300993
Energy: 0.5813282056982809
Energy: 0.6058450864558843
Energy: 0.5812790570179059
Energy: 0.553499566146621
Energy: 0.6124683808706561
Energy: 0.590976574031278
Energy: 0.5966718357961538
Energy: 0.5786578708638386
Energy: 0.6028061069182028
Energy: 0.5346384419833492
Energy: 0.5337995915512229
Energy: 0.5801798267456535
Energy: 0.5757296784309139
Energy: 0.5389097338275234
Energy: 0.573527435940836
Energy: 0.554466057450784
Energy: 0.6111898737305009
Energy: 0.5588926585336789
Energy: 0.5462411625749554
Energy: 0.5536356397711936
Energy: 0.5593798455938389
Energy: 0.6169054106672548
Energy: 0.6300273708637767
Energy: 0.5748482612517212
Energy: 0.5655940871228494
Energy: 0.5518259393790599
Energy: 0.575760589483467
Energy: 0.5534692343533049
Energy: 0.5503836605920703
Energy: 0.553372061780786
Energy: 0.570107031892659
Energy: 0.6274776085423663
Energy: 0.5908447005697853
Energy: 0.5770915503574602
Energy: 0.5988012339939368
Energy: 0.5465239050948807
Energy: 0.6021928128456905
Energy: 0.5686667905623048
Energy: 0.5493375247120345
Energy: 0.5895577415225883
Energy: 0.5621401516401501
Energy: 0.5718806943662991
Energy: 0.5861445005859609
Energy: 0.6115492644325234
Energy: 0.580979022254886
Energy: 0.6158071589398053
Energy: 0.601378761780517
Energy: 0.5881734871199694
Energy: 0.6026448545221981
Energy: 0.5782798602666086
Energy: 0.5791695389027094
Energy: 0.5507583894242162
Energy: 0.5671482825788775
Energy: 0.5824229391852013
Energy: 0.5505608612567544
Energy: 0.5594511836121172
Energy: 0.5357505147784645
Energy: 0.5292552287841474
Energy: 0.5797189770813939
Energy: 0.5568222934725043
Energy: 0.554512974165662
Energy: 0.6275849625987163
Energy: 0.5755714271719528
Energy: 0.5115361081074793
Energy: 0.5850764806106908
Energy: 0.5486100399636387
Energy: 0.5609039705666994
Energy: 0.5484020401142446
Energy: 0.5827219689718834
Energy: 0.5603540204994116
Energy: 0.530837270890829
Energy: 0.5479216326549958
Energy: 0.5928714817926602
Energy: 0.57543811066254
Energy: 0.5699174342269532
Energy: 0.583883775731041
Energy: 0.5983219778008004
Energy: 0.5860716527809944
Energy: 0.5753912134932169
Energy: 0.5650865540648978
Energy: 0.5594453114447187
Energy: 0.5765138222115702
Energy: 0.5503917660233837
Energy: 0.5898348212385571
Energy: 0.5132555272784576
Energy: 0.6152780354427541
Energy: 0.6153501280290983
Energy: 0.6048188234915899
Energy: 0.5761713987528106
Energy: 0.5978453169551579
Energy: 0.6066050929158274
Energy: 0.5680977368481747
Energy: 0.5747525230152127
Energy: 0.5406256605511968
Energy: 0.5982229381296709
Energy: 0.5643946399598793
Energy: 0.5674523050524023
Energy: 0.557686729989584
Energy: 0.5598185913487987
Energy: 0.55787998753291
Energy: 0.5499730010426449
Energy: 0.5543349016783631
Energy: 0.5557089228513887
Energy: 0.6269001381176066
Energy: 0.5419416813081716
Energy: 0.6164761623429922
Energy: 0.6035973873796943
Energy: 0.5654222646756645
Energy: 0.5585396972484089
Energy: 0.5725660027662681
Energy: 0.5609691810253393
Energy: 0.5489325668118484
Energy: 0.5428956086275342
Energy: 0.5427650382938466
Energy: 0.5899316601207506
Energy: 0.5850123465097624
Energy: 0.6007985594105397
Energy: 0.5793484300634446
Energy: 0.5912374661060861
Energy: 0.5878065228886554
Energy: 0.5807417002507187
Energy: 0.5746952875871488
Energy: 0.538572697805821
Energy: 0.5818268449593459
Energy: 0.5592007292276449
Energy: 0.5815246722292541
Energy: 0.58901485427602
Energy: 0.6087637107601943
Energy: 0.5438959902715748
Energy: 0.6170846329929337
Energy: 0.537554995367437
Energy: 0.5947247009186855
Energy: 0.5829804949414121
Energy: 0.6016721909884265
Energy: 0.589169631634486
Energy: 0.5683773283288261
Energy: 0.5236456740023281
Energy: 0.5587905388937556
Energy: 0.5709898841256542
Energy: 0.5589366296742195
Energy: 0.5726470682513619
Energy: 0.5789334243250375
Energy: 0.5484309382093627
Energy: 0.5112410016116393
Energy: 0.5504021551286618
Energy: 0.5871247572825266
Energy: 0.5485508250751244
Energy: 0.6105003624167511
Energy: 0.589416497182434
Energy: 0.5555292054060917
Energy: 0.5644663433252709
Energy: 0.6030918919668128
Energy: 0.5609588095712501
Energy: 0.549875235309468
Energy: 0.560807320204825
Energy: 0.5494171210484887
Energy: 0.5947318450971515
Energy: 0.579604560286032
Energy: 0.5930555429243205
Energy: 0.575927199957343
Energy: 0.5888694803498848
Energy: 0.574307870092582
Energy: 0.5939833684317958
Energy: 0.5715560743149123
Energy: 0.5582071925019089
Energy: 0.593122447498762
Energy: 0.5423426055515247
Energy: 0.5762306555552624
Energy: 0.5860757663068759
Energy: 0.6152029186426541
Energy: 0.5471168420559704
Energy: 0.6404147848026768
Energy: 0.5848506682684557
Energy: 0.6076505820434163
Energy: 0.5700043711031193
Energy: 0.5665932154989478
Energy: 0.5754478071824789
Energy: 0.5671928184590793
Energy: 0.5720637833895533
Energy: 0.5457762848240522
Energy: 0.5544964334101427
Energy: 0.5643162164526497
Energy: 0.5650601520327169
Energy: 0.5599282466610163
Energy: 0.5493182918621514
Energy: 0.5618193631198672
Energy: 0.5486079822582461
Energy: 0.5819508270524958
Energy: 0.5406161903468172
Energy: 0.6336358054846875
Energy: 0.6180139866503652
Energy: 0.5716122464800961
Energy: 0.6009137987814469
Energy: 0.5988840180634469
Energy: 0.5702764551451226
Energy: 0.5629606643647637
Energy: 0.5565830229386213
Energy: 0.5475302032459729

minimum gb energy = 0.5112410016116393 eV
minimum distance =  2.55049915942764 Angstroms
sigma value = 39


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

Energy: 0.5161470566666303
Energy: 0.5048021290461295
Energy: 0.530801642727544
Energy: 0.5840317353360278
Energy: 0.5912112969942374
Energy: 0.581342992070825
Energy: 0.5051428602982252
Energy: 0.511765315392728
Energy: 0.5458832084441225
Energy: 0.5596089581328103
Energy: 0.5582872819111266
Energy: 0.5623889635469859
Energy: 0.5196303749103298
Energy: 0.6410067594592045
Energy: 0.5287139584287657
Energy: 0.5126467028070543
Energy: 0.5423074369587951
Energy: 0.5610970070894057
Energy: 0.556131736958176
Energy: 0.5204062275678313
Energy: 0.521528476897915
Energy: 0.5429732417420139
Energy: 0.5639747388346765
Energy: 0.5593739329256733
Energy: 0.560970074473818
Energy: 0.5642550926662252
Energy: 0.5588276554549569
Energy: 0.594803363953602
Energy: 0.5317375401340146
Energy: 0.5627010816112971
Energy: 0.5398678465870057
Energy: 0.5192527029817248
Energy: 0.5726559526951365
Energy: 0.5735703101542786
Energy: 0.5203398138127207
Energy: 0.5127567332671273
Energy: 0.5601977752071664
Energy: 0.5188296675627051
Energy: 0.7194468570973053
Energy: 0.5486396327772177
Energy: 0.5410640611541288
Energy: 0.5204285329093631
Energy: 0.6314037931246542
Energy: 0.5499058628231365
Energy: 0.5170079140753253
Energy: 0.6464798424447352
Energy: 0.5049204923559919
Energy: 0.5051704691493412
Energy: 0.5404782313687783
Energy: 0.5120396083472525
Energy: 0.5486440903470471
Energy: 0.6463981881820775
Energy: 0.5185196939520375
Energy: 0.5498225362869176
Energy: 0.5821011905142273
Energy: 0.5206433611266054
Energy: 0.5120059509920811
Energy: 0.5484808597122333
Energy: 0.6397448994166695
Energy: 0.5426127777835191
Energy: 0.5595821772212891
Energy: 0.5612805019289568
Energy: 0.5207430175539366
Energy: 0.6001291450903002
Energy: 0.5389475418092183
Energy: 0.5593095117377836
Energy: 0.5662351129969908
Energy: 0.5613541610065791
Energy: 0.5197385686574506
Energy: 0.5203870718266456
Energy: 0.5460467822214119
Energy: 0.5635872437737939
Energy: 0.5847288490230751
Energy: 0.560198032250925
Energy: 0.5564790107851393
Energy: 0.5337820785267615
Energy: 0.5439775693470764
Energy: 0.5386351983366273
Energy: 0.5468971822577698
Energy: 0.5587711017699578
Energy: 0.5422081084738736
Energy: 0.5821683508923828
Energy: 0.5597388770953604
Energy: 0.5953038807796075
Energy: 0.5085002046525385
Energy: 0.5621689046403765
Energy: 0.5609786963452109
Energy: 0.5607399657479815
Energy: 0.549405591909284
Energy: 0.5697797349596632
Energy: 0.5205836132201701
Energy: 0.5293869739875209
Energy: 0.51367670463647
Energy: 0.530870825553314
Energy: 0.6426602383145639
Energy: 0.5054378792450837
Energy: 0.5050570919254781
Energy: 0.5401595030597091
Energy: 0.5135781771420228
Energy: 0.5415628166280042
Energy: 0.5172295364578474
Energy: 0.6474841883665307
Energy: 0.5044799231894987
Energy: 0.5039331429377536
Energy: 0.584328808960332
Energy: 0.516327981891354
Energy: 0.5548022418321149
Energy: 0.5172863823873332
Energy: 0.5317195596392028
Energy: 0.5586549817357086
Energy: 0.5688695505230886
Energy: 0.5048873068596622
Energy: 0.5274638874364128
Energy: 0.5409209530239074
Energy: 0.5592817852963403
Energy: 0.5644021183376863
Energy: 0.5621157950855097
Energy: 0.5193053282374627
Energy: 0.5840330278574009
Energy: 0.5282691743942641
Energy: 0.5126316059552404
Energy: 0.5428751630224105
Energy: 0.560888237075605
Energy: 0.5560675440466007
Energy: 0.520267082117327
Energy: 0.5984390768294948
Energy: 0.5427261790394398
Energy: 0.5647133613495973
Energy: 0.5592495605128492
Energy: 0.5612273442925492
Energy: 0.5639980900521865
Energy: 0.5591224871024406
Energy: 0.5948109783456587
Energy: 0.5313713288472085
Energy: 0.5630740321623852
Energy: 0.5432572242464372
Energy: 0.5193068149104453
Energy: 0.5709787103406169
Energy: 0.6204312308913554
Energy: 0.5205482836644955
Energy: 0.5130656283649634
Energy: 0.5514714716238919
Energy: 0.5189881677441497
Energy: 0.7198859711038282
Energy: 0.5492838943252577
Energy: 0.5039429414877744
Energy: 0.5199568507112302
Energy: 0.6308860113346871
Energy: 0.5402381377980325
Energy: 0.5169419737856054
Energy: 0.6463318376557771
Energy: 0.5073303832451961
Energy: 0.5048013087531755
Energy: 0.5404466837828035
Energy: 0.5117789051035753
Energy: 0.5485015580760045
Energy: 0.6462161416823823
Energy: 0.5422922623671251
Energy: 0.5510027774346259
Energy: 0.5825170747346252
Energy: 0.5204636693567772
Energy: 0.5120602805501896
Energy: 0.548580345747108
Energy: 0.6008265424498844
Energy: 0.5422551922773462
Energy: 0.560501589580907
Energy: 0.5610949594081672
Energy: 0.5206312137794867
Energy: 0.599922157042107
Energy: 0.5106570314926937
Energy: 0.5589622405841261
Energy: 0.56585780818376
Energy: 0.5623864075479419
Energy: 0.5199484695563352
Energy: 0.5206212575826671
Energy: 0.5458129902991283
Energy: 0.5638162229191479
Energy: 0.5846066036573607
Energy: 0.5601420514030706
Energy: 0.5626816056572199
Energy: 0.561691206812575
Energy: 0.5438910073371573
Energy: 0.5387910569629729
Energy: 0.5466313626636106
Energy: 0.5587224027046158
Energy: 0.5569246037313543
Energy: 0.5820615327036254
Energy: 0.5595615937155536
Energy: 0.5816015312823286
Energy: 0.508814006256031
Energy: 0.562292864019776
Energy: 0.5618830451193838
Energy: 0.5605471941848147
Energy: 0.549411284768272
Energy: 0.5698424232731936
Energy: 0.520531824511658
Energy: 0.5297429935558003
Energy: 0.5139916179687519
Energy: 0.5307288228450061
Energy: 0.6429715602333914
Energy: 0.5061630220579149
Energy: 0.5050366988874748
Energy: 0.5402422851433384
Energy: 0.5135044555603269
Energy: 0.5418593402580667
Energy: 0.5174860105549557
Energy: 0.5894417177210535
Energy: 0.5043478452204225
Energy: 0.5038584910288293
Energy: 0.584766463496569

minimum gb energy = 0.5038584910288293 eV
minimum distance =  2.57230080020166 Angstroms
sigma value = 21


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

Energy: 0.6220247349308689
Energy: 0.615921323571745
Energy: 0.6755692541972704
Energy: 0.6861031647572595
Energy: 0.5464447693197716
Energy: 0.5922063716250238
Energy: 0.6164070467061745
Energy: 0.5118855677222427
Energy: 0.5785328914887561
Energy: 0.6559431202652004
Energy: 0.5902869715767717
Energy: 0.6498585111568155
Energy: 0.6333733285671005
Energy: 0.6219988726599397
Energy: 0.5454271117153368
Energy: 0.5622849567367347
Energy: 0.5375470961503305
Energy: 0.534524182362529
Energy: 0.5809682388288858
Energy: 0.5753762370900445
Energy: 0.5901943847669244
Energy: 0.6332751866882318
Energy: 0.6616239665836681
Energy: 0.5360722288991043
Energy: 0.5752768035375277
Energy: 0.5453533762471202
Energy: 0.50900818468991
Energy: 0.5624076038855679
Energy: 0.5032511450471039
Energy: 0.5323635613507911
Energy: 0.5169357640085691
Energy: 0.5478850775286536
Energy: 0.5356690696491663
Energy: 0.6052974611986888
Energy: 0.49492351451156846
Energy: 0.490278075013003
Energy: 0.5294683581914159
Energy: 0.5946483472456057
Energy: 0.6175021143135287
Energy: 0.5432769489309222
Energy: 0.651320097319089
Energy: 0.5815546065034376
Energy: 0.4979281718663862
Energy: 0.6397221961876072
Energy: 0.5090546984835917
Energy: 0.569464557686005
Energy: 0.49127812011158967
Energy: 0.490721314800862
Energy: 0.5160029671769673
Energy: 0.5462639394517529
Energy: 0.5020943167028694
Energy: 0.537685694701984
Energy: 0.6404626850838
Energy: 0.5319801686202584
Energy: 0.49608198219779126
Energy: 0.5525257076051282
Energy: 0.5045945285734982
Energy: 0.5563166347495093
Energy: 0.5936279548680518
Energy: 0.5989365954184911
Energy: 0.6406943155073811
Energy: 0.6268800115231604
Energy: 0.6274349186458421
Energy: 0.633603310460253
Energy: 0.6496457550727237
Energy: 0.5201599171085095
Energy: 0.5612347714224113
Energy: 0.5417614545934795
Energy: 0.5287219251125028
Energy: 0.6172072718314169
Energy: 0.5048140707307104
Energy: 0.6319473223483579
Energy: 0.5258299841478135
Energy: 0.6050439710855676
Energy: 0.5126665376298652
Energy: 0.5544289379632651
Energy: 0.6219200844003504
Energy: 0.5152009160331856
Energy: 0.6221062171497234
Energy: 0.6207886591025953
Energy: 0.6236958918950066
Energy: 0.6161200728548729
Energy: 0.6154483915512482
Energy: 0.6208901814706087
Energy: 0.6218008275575646
Energy: 0.5772752068385579
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Energy: 0.6211151355893174
Energy: 0.5311576920630067
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Energy: 0.6160856187432812
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Energy: 0.5330682648522217
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Energy: 0.6289089778703769
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Energy: 0.5572529299424035
Energy: 0.5807545906011431
Energy: 0.5255629618661604
Energy: 0.5784142527352893
Energy: 0.6272060857702958
Energy: 0.6511510191172385
Energy: 0.6306320733040142
Energy: 0.6209013758605332
Energy: 0.573648199810605
Energy: 0.6175994162096918
Energy: 0.5458442594287284
Energy: 0.5746378457846273
Energy: 0.6082401624579554
Energy: 0.5039391357322263
Energy: 0.5328838512697825
Energy: 0.5810618169319611
Energy: 0.5362765871371648
Energy: 0.5549569545954142
Energy: 0.5773974587988946
Energy: 0.5320828043537196
Energy: 0.4941377740092307
Energy: 0.5332061647855342
Energy: 0.5990637631994252
Energy: 0.5884545665624052
Energy: 0.5429831304700831
Energy: 0.49887304808511096
Energy: 0.583592459864606
Energy: 0.6122090464493061
Energy: 0.541835990463253
Energy: 0.5123886186500629
Energy: 0.5787922470224722
Energy: 0.49284921763786416
Energy: 0.49174598253255375
Energy: 0.525338824136995
Energy: 0.5793726786200708
Energy: 0.5473177455306086
Energy: 0.5380608145795239
Energy: 0.5798327667461252
Energy: 0.5320888920502638
Energy: 0.49928658908981227
Energy: 0.5704295381144803
Energy: 0.5092246030124136
Energy: 0.5449694212446939
Energy: 0.5945863559824959
Energy: 0.6262838309662275
Energy: 0.5970548052032352
Energy: 0.63035953207398
Energy: 0.6234300428578305
Energy: 0.5787780356480803
Energy: 0.5962516633074965
Energy: 0.5138224017532406
Energy: 0.5286971571928643
Energy: 0.5688662333749391
Energy: 0.6128443024289637
Energy: 0.5779818490365557
Energy: 0.6311184466802526
Energy: 0.6154377063997992
Energy: 0.6346792582247802
Energy: 0.6596532954462551
Energy: 0.5657438819342131
Energy: 0.5307307313325844
Energy: 0.6111489624287878
Energy: 0.5459693335701016
Energy: 0.5866535063339258
Energy: 0.5533545403934466
Energy: 0.5202480082598895
Energy: 0.6157330112445161
Energy: 0.6168351698824852
Energy: 0.6174425561222683
Energy: 0.6188729753382897
Energy: 0.5665189277306568
Energy: 0.6121818615168854
Energy: 0.5744736519397039
Energy: 0.5656020642803381
Energy: 0.5803374251958915
Energy: 0.5576977294707068

minimum gb energy = 0.490278075013003 eV
minimum distance =  2.58836277514969 Angstroms
sigma value = 113


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

Energy: 0.6114935201748767
Energy: 0.7142675327883756
Energy: 0.6661019523038735
Energy: 0.6866666665301275
Energy: 0.6418624231727573
Energy: 0.6447835804041414
Energy: 0.6997859507705945
Energy: 0.6643286215267298
Energy: 0.6959650409416899
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Energy: 0.6982506629502178
Energy: 0.635428354888137
Energy: 0.6551097433402426
Energy: 0.6910142526697084
Energy: 0.6314510478358217
Energy: 0.6638613080727449
Energy: 0.6224280820285781
Energy: 0.6311133999428481
Energy: 0.6651535921830644
Energy: 0.6250159538015797
Energy: 0.6339747408371165
Energy: 0.6186748401744621
Energy: 0.6703984610088175
Energy: 0.6158708561051288
Energy: 0.6198616830066908
Energy: 0.6133001284072236
Energy: 0.6111195871671684
Energy: 0.645240049093221
Energy: 0.617282488539397
Energy: 0.6580724210136408
Energy: 0.6110823509606429
Energy: 0.6395001881628144
Energy: 0.6364382775225914
Energy: 0.6188065166310375
Energy: 0.6043475017812661
Energy: 0.5417361103586592
Energy: 0.6287818421928038
Energy: 0.6305242442778454
Energy: 0.6501955550917905
Energy: 0.5618048428091899
Energy: 0.5708906730987439
Energy: 0.6120579292054155
Energy: 0.6167928491278598
Energy: 0.6169603381989405
Energy: 0.5951108156826102
Energy: 0.5916056007337448
Energy: 0.599049213267386
Energy: 0.5650575303837695
Energy: 0.6508466320781737
Energy: 0.568405711152496
Energy: 0.5873904769008209
Energy: 0.6271988329838225
Energy: 0.6386619969484895
Energy: 0.623303119209705
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Energy: 0.6024179298801526
Energy: 0.5907614993320417
Energy: 0.6219309262098909
Energy: 0.6059244725029285
Energy: 0.6166706379935242
Energy: 0.5946820524543618
Energy: 0.6201552614907299
Energy: 0.6239879094110216
Energy: 0.5977656594234473
Energy: 0.6371670486728747
Energy: 0.6176960897704636
Energy: 0.632539287358916
Energy: 0.6183504513391591
Energy: 0.6035822986133758
Energy: 0.5783847383628115
Energy: 0.5998616129076599
Energy: 0.5796289277006406
Energy: 0.6685486661897649
Energy: 0.6072866842669364
Energy: 0.5652676379291016
Energy: 0.5920726406609843
Energy: 0.6261967721855018
Energy: 0.6284194851578124
Energy: 0.6129818607780815
Energy: 0.62539627772296
Energy: 0.6062581774351835
Energy: 0.6184440377650969
Energy: 0.5922051765278171
Energy: 0.6481361316860391
Energy: 0.5814616495205838
Energy: 0.6073959359997281
Energy: 0.58495267217294
Energy: 0.5899562454921293
Energy: 0.6109544021810823
Energy: 0.6169733098561414
Energy: 0.608104072006302
Energy: 0.627443763797637
Energy: 0.6121159118734912
Energy: 0.6164069093400595
Energy: 0.6147545521480402
Energy: 0.5898761092041998
Energy: 0.5977954911495302
Energy: 0.6327782397741661
Energy: 0.5605611652209685
Energy: 0.6257238145292084
Energy: 0.6202531217512554
Energy: 0.6130302202607987
Energy: 0.6454486279819378
Energy: 0.5885122588426642
Energy: 0.6202024242812809
Energy: 0.6096810399627677
Energy: 0.5785634111603817
Energy: 0.6434125356391155
Energy: 0.6299837812843944
Energy: 0.6323738687167444
Energy: 0.6196151270625536
Energy: 0.64394905069321
Energy: 0.6040506019192257
Energy: 0.6565313396099848
Energy: 0.606892453745947
Energy: 0.6337190361107674
Energy: 0.6031640282615677
Energy: 0.6016734132584041
Energy: 0.6164578993285212
Energy: 0.5731199921932357
Energy: 0.631306644995921
Energy: 0.5746261670808154
Energy: 0.6129010840305693
Energy: 0.6127615484603295
Energy: 0.6161600099330103
Energy: 0.6566703331641691
Energy: 0.6312762309262856
Energy: 0.660370372119911
Energy: 0.6568147443006442
Energy: 0.623364320266092
Energy: 0.6586697568880094
Energy: 0.6753606849471148
Energy: 0.6468342219782746
Energy: 0.6183819981598484
Energy: 0.6887456735493851
Energy: 0.6218595612672236
Energy: 0.6594166384240224
Energy: 0.6057181937636895
Energy: 0.653968474334076
Energy: 0.6786924272198178
Energy: 0.6344934349216838
Energy: 0.6525307338433078
Energy: 0.6539737738926582
Energy: 0.6723584466621556
Energy: 0.6397562376101927
Energy: 0.6102922151749328
Energy: 0.6841048120760785
Energy: 0.64396586889889
Energy: 0.6660715919785288
Energy: 0.6504349225881847
Energy: 0.6564376507280749
Energy: 0.6457507321668715
Energy: 0.6109755771310598
Energy: 0.666762107062353
Energy: 0.6109298374345108
Energy: 0.6567908639185922
Energy: 0.6645298295790284
Energy: 0.6627414965328849
Energy: 0.6421187556995109
Energy: 0.6467843092955364
Energy: 0.6847980008443115
Energy: 0.6637263017227094
Energy: 0.69048142826058
Energy: 0.6484554378959684
Energy: 0.6291933338130474
Energy: 0.6521636285165636
Energy: 0.6164846588605086
Energy: 0.6656028120286833
Energy: 0.5766499655075455
Energy: 0.6695183229324438
Energy: 0.6214478218990352
Energy: 0.6575607232371475
Energy: 0.6249828398274995
Energy: 0.6252762544711676
Energy: 0.6471798498194035
Energy: 0.6199881016106096
Energy: 0.6536206987609472
Energy: 0.6174307257186893
Energy: 0.6212238655538848
Energy: 0.6152290351629709
Energy: 0.6122429634990902
Energy: 0.6445231367052145
Energy: 0.6248215897494135
Energy: 0.6587865100607879
Energy: 0.6233966589373054
Energy: 0.61013527002151
Energy: 0.6361290650615071
Energy: 0.6190565275229297
Energy: 0.6074730711712354
Energy: 0.5418314925601055
Energy: 0.6287386209384891
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Energy: 0.6500169487694637
Energy: 0.6072720370458902
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Energy: 0.6112764242556112
Energy: 0.6062393744455641
Energy: 0.61700799353372
Energy: 0.5959017966730127
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Energy: 0.5999337971082143
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Energy: 0.6420349179351602
Energy: 0.5532285185179855
Energy: 0.582785985233581
Energy: 0.5921326745190919
Energy: 0.6255745054034888
Energy: 0.6335375319428569
Energy: 0.5811258251585318
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Energy: 0.6215396933583617
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Energy: 0.624475199604869
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Energy: 0.62678208855843
Energy: 0.6330352970463923
Energy: 0.6327597040936047
Energy: 0.638013312984754
Energy: 0.6569005837815601
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Energy: 0.6173344690782614
Energy: 0.6154850165885785
Energy: 0.6112109093642482
Energy: 0.5953338484884277
Energy: 0.6319132464770303
Energy: 0.5602559454770454
Energy: 0.6255763986284084
Energy: 0.620774222084818
Energy: 0.5770755584846391
Energy: 0.6518370727233609
Energy: 0.5876529203500069
Energy: 0.6192829324739855
Energy: 0.6113946631562875
Energy: 0.6061318394680338
Energy: 0.5841743471691112
Energy: 0.5901732184904273
Energy: 0.6331920396916653
Energy: 0.618397944525144
Energy: 0.6466703816836641
Energy: 0.6036638593883533
Energy: 0.6561504329430299
Energy: 0.5984199853148634
Energy: 0.6232239804677671
Energy: 0.6077985491911019
Energy: 0.5740189150244
Energy: 0.6148980652061977
Energy: 0.5736016651049886
Energy: 0.6095415564464137
Energy: 0.5758699027343748
Energy: 0.6129711087418602
Energy: 0.6469051346588122
Energy: 0.6215161338298422
Energy: 0.6279123777489538
Energy: 0.6318271429789907
Energy: 0.6580211414226528
Energy: 0.6378693387278243
Energy: 0.6285240129086143
Energy: 0.6855331917286805
Energy: 0.6536735944363604
Energy: 0.6575219645645675
Energy: 0.6212489756533287
Energy: 0.7075012559915673
Energy: 0.6205596383244623
Energy: 0.6587443108524405
Energy: 0.617118887559401
Energy: 0.6437075467724104
Energy: 0.6878508345379398
Energy: 0.6357238365899776
Energy: 0.6691585083115189
Energy: 0.6560696169404236
Energy: 0.6469313473507589
Energy: 0.6454737235564384
Energy: 0.6112638079254041
Energy: 0.6762638740752197
Energy: 0.641523506994544
Energy: 0.6586538148959058
Energy: 0.6586730710715892
Energy: 0.6961217605590699
Energy: 0.6399332212294627
Energy: 0.6103877716740588
Energy: 0.6852372294597429
Energy: 0.6111082843877164
Energy: 0.6406477225081327
Energy: 0.6648308805956398
Energy: 0.6639597308957007
Energy: 0.6305467689954788
Energy: 0.640835784082936
Energy: 0.6669875226778806

minimum gb energy = 0.5085054249731968 eV
minimum distance =  2.52093404678402 Angstroms
sigma value = 365


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

Energy: 0.5629631715130777
Energy: 0.5718209215094767
Energy: 0.5697762341162342
Energy: 0.56841742183339
Energy: 0.5684094364121722
Energy: 0.5691310711037306
Energy: 0.5706653541838114
Energy: 0.515206936162467