Model name: model_name=Sim_LAMMPS_BOP_ZhouWardFoster_2016_AlCu__SM_566399258279_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=4.066269248723984
cohesive_energy=3.355673813773726
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: -0.24853419910714075
Energy: 0.6654312223526456
Energy: 0.5058627478899321
Energy: 0.665611998996043
Energy: -0.24853419911150315
Energy: 0.6654312223540398
Energy: 0.1253928345839941
Energy: 0.12536165335070934
Energy: -0.2480323996827785
Energy: 1.171920044209146
Energy: -0.2480384978517419
Energy: 0.12536165335091173
Energy: -0.24803239968039492
Energy: 1.171920044207167
Energy: -0.24853419910714075
Energy: 0.6654312223520609
Energy: 0.5058627478905168
Energy: 0.6656119989962455
Energy: -0.2485341991113008
Energy: 0.6654312223512738
Energy: 0.12539283458437636
Energy: 0.12536165334951752
Energy: -0.24803239968336313
Energy: 1.1719200442067848
Energy: -0.2480384978505726
Energy: 0.12536165335070934
Energy: -0.24803239968196897
Energy: 1.1719200442095505
Energy: -0.24853419910734317
Energy: 0.6654312223544445
Energy: 0.34068347470395005
Energy: 0.6656119989950535
Energy: -0.24853419911150315
Energy: 0.6654312223538373
Energy: 0.12539283458437636
Energy: 0.1253616533501022
Energy: -0.24803239968118193
Energy: 1.1719200442087636
Energy: -0.24803849785115728
Energy: 0.12536165335187863
Energy: -0.24803239968118193
Energy: 1.1719200442093483

minimum gb energy = -0.24853419911150315 eV
minimum distance =  2.7313492229721 Angstroms
sigma value = 5


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

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Energy: 0.3813873545240463
Energy: 0.3616974939566993
Energy: 0.3854009873884937
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Energy: 0.3338684503429207
Energy: 0.3580531740750954
Energy: 0.37101372171095715
Energy: 0.3589005093846717
Energy: 0.35614856125996586
Energy: 0.3659796573544165
Energy: 0.3418357124384386
Energy: 0.35890050937258416
Energy: 0.35614856126238337
Energy: 0.365979657347164
Energy: 0.3301017249868747
Energy: 0.32790922336998796
Energy: 0.3213099223632308
Energy: 0.3549982808896061
Energy: 0.3301017249917098
Energy: 0.3279092233627354
Energy: 0.3213099223704833
Energy: 0.293877099960947
Energy: 0.30960187883042395
Energy: 0.36502221365952325
Energy: 0.3170854251842779
Energy: 0.2938770999681996
Energy: 0.3096018788328414
Energy: 0.36502221367886334
Energy: 0.30987733401412226
Energy: 0.3566906757067592
Energy: 0.3767684266990467
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Energy: 0.376060068680685
Energy: 0.3036750501346653
Energy: 0.2911758099651152
Energy: 0.3632837701332496
Energy: 0.3760600686637624

minimum gb energy = 0.28811329881362496 eV
minimum distance =  2.33176471526022 Angstroms
sigma value = 401


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

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Energy: 0.39071060611944014
Energy: 0.3815010743217796
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Energy: 0.3761693235267681
Energy: 0.36590999671612773
Energy: 0.37576489542685915
Energy: 0.3964118578104025
Energy: 0.3652483912700098
Energy: 0.36590999670515123
Energy: 0.37576489541588265
Energy: 0.3639401422811421
Energy: 0.36339211854296044
Energy: 0.346245809382471
Energy: 0.359076494885761
Energy: 0.37821229157381286
Energy: 0.363392118539917
Energy: 0.3462458094016299
Energy: 0.35907649489289567
Energy: 0.3487503262439531
Energy: 0.3252683104324347
Energy: 0.3999921260382025
Energy: 0.38739538681801877
Energy: 0.348750326237916
Energy: 0.3252683104291418
Energy: 0.3975540747258614
Energy: 0.3811183479049488
Energy: 0.35083513631450636
Energy: 0.3894456232061318
Energy: 0.3906959429081355
Energy: 0.38111834789671645
Energy: 0.3508351363095669
Energy: 0.3873193612876244
Energy: 0.3932105834625327
Energy: 0.39515804401320404
Energy: 0.35987339503274834
Energy: 0.3901734461653598
Energy: 0.393210583461435
Energy: 0.3951580440156488
Energy: 0.3598733950382366
Energy: 0.35719539817456636
Energy: 0.37389987196235575
Energy: 0.39569967412181284
Energy: 0.38729026279575696
Energy: 0.357195398159748
Energy: 0.37389987197113694
Energy: 0.3942264901808342
Energy: 0.32726957213062474
Energy: 0.35905858148213454
Energy: 0.3992394862657884
Energy: 0.38439912607401777
Energy: 0.32726957212319063
Energy: 0.35905858148158576
Energy: 0.4092660715767507
Energy: 0.3197864485697917
Energy: 0.39071060611998903
Energy: 0.38404092856802735
Energy: 0.40482664231266885
Energy: 0.319786448559364
Energy: 0.39071060611370245
Energy: 0.3815010743280662
Energy: 0.3410638258913983
Energy: 0.38479441514364043
Energy: 0.42560850300033604
Energy: 0.39686801266229726
Energy: 0.3410638258872571
Energy: 0.38479441514388996
Energy: 0.4064346799494511

minimum gb energy = 0.3197864485588152 eV
minimum distance =  2.30751849314592 Angstroms
sigma value = 311


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

Energy: 0.5782897228144321
Energy: 0.5738268210069019
Energy: 0.5660727465092895
Energy: 0.5574299713276557
Energy: 0.5782897228125311
Energy: 0.5738268210040501
Energy: 0.5849384502747269
Energy: 0.5632261296188869
Energy: 0.5715260498852576
Energy: 0.5688762832634198
Energy: 0.542239329536941
Energy: 0.5632261296188869
Energy: 0.5715260498862081
Energy: 0.5688762832602512
Energy: 0.5552343465229213
Energy: 0.5877767905944105
Energy: 0.6080695346933614
Energy: 0.5251555276699276
Energy: 0.5552343465210201
Energy: 0.5877767905953609
Energy: 0.5956287114971742
Energy: 0.5363329226403186
Energy: 0.5219619733094408
Energy: 0.5773222671748393
Energy: 0.5191460060908326
Energy: 0.5363329226368331
Energy: 0.5219619733107081
Energy: 0.5773222671742058
Energy: 0.5827699401883951
Energy: 0.5904091905330446
Energy: 0.5723923801719963
Energy: 0.5372843850766154
Energy: 0.5827699401906131
Energy: 0.5904091905349459
Energy: 0.5780540372669231
Energy: 0.5628850815516334
Energy: 0.5153988666572487
Energy: 0.5720973036346835
Energy: 0.5001235874396929
Energy: 0.5628850815541683
Energy: 0.5153988666531294
Energy: 0.5720973036369016
Energy: 0.5561892259417764
Energy: 0.571619154400679
Energy: 0.597923226722616
Energy: 0.5448328563511075
Energy: 0.556189225943044
Energy: 0.5716191544003622
Energy: 0.5979232267238835
Energy: 0.5620367144112727
Energy: 0.5180472982370955
Energy: 0.6503567126102163
Energy: 0.5554716872589892
Energy: 0.5620367144093714
Energy: 0.5180472982313921
Energy: 0.6503567126070476
Energy: 0.5403290400634333
Energy: 0.5219966126778517
Energy: 0.6142644656480608
Energy: 0.5405975792228578
Energy: 0.5403290400602647
Energy: 0.5219966126800699
Energy: 0.5971932210719949
Energy: 0.5599433589911862
Energy: 0.5246582500068834
Energy: 0.6075118423419674
Energy: 0.6115018884912844
Energy: 0.5599433589943549
Energy: 0.5246582500081507
Energy: 0.6075118423460868
Energy: 0.5806127828064841
Energy: 0.49605564842594413
Energy: 0.5894267124675727
Energy: 0.5635094337531369
Energy: 0.5806127828055337
Energy: 0.49605564842277544
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Energy: 0.5939368916563272
Energy: 0.6003881790468638
Energy: 0.6385201204619114
Energy: 0.5940650366116315
Energy: 0.5939368916560104
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Energy: 0.638520120462862
Energy: 0.5425616696281508
Energy: 0.5538596692941854
Energy: 0.5987721673046715
Energy: 0.5775775577961484
Energy: 0.5425616696284676
Energy: 0.5538596692957697
Energy: 0.598772167301186
Energy: 0.5520344918688235
Energy: 0.5455214879853627
Energy: 0.6252137821757644
Energy: 0.5633352188181041
Energy: 0.5520344918751607
Energy: 0.5455214879885314
Energy: 0.6252137821763982
Energy: 0.574780540140485
Energy: 0.5264058845799963
Energy: 0.6105989005492808
Energy: 0.5097379607788726
Energy: 0.5747805401385838
Energy: 0.5264058845844324
Energy: 0.610598900553083
Energy: 0.5951427343595194
Energy: 0.6111364381434424
Energy: 0.596137037509273
Energy: 0.5797528180223722
Energy: 0.5951427343652229
Energy: 0.6111364381453436
Energy: 0.5961370375099068
Energy: 0.5565198716041354
Energy: 0.5250779104247695
Energy: 0.5834430566194312
Energy: 0.47034201182760915
Energy: 0.5565198716022342
Energy: 0.5250779104209671
Energy: 0.5834430566200649
Energy: 0.5410615623174482
Energy: 0.6080410503604705
Energy: 0.6254359453032254
Energy: 0.5556099675511876
Energy: 0.5410615623164977
Energy: 0.6080410503604705
Energy: 0.6254359453016556
Energy: 0.5322240994919039
Energy: 0.5115279453638116
Energy: 0.5839586904616529
Energy: 0.48345605241786227
Energy: 0.5322240994909533
Energy: 0.511527945367614
Energy: 0.5712932995199839
Energy: 0.561858070222547
Energy: 0.5235375739131445
Energy: 0.6483079753361599
Energy: 0.530843482309573
Energy: 0.5618580702228638
Energy: 0.5235375739125107
Energy: 0.6483079753355261
Energy: 0.5749022728521215
Energy: 0.5529614813175807
Energy: 0.5685259401781573
Energy: 0.5860634875177766
Energy: 0.5749022728457841
Energy: 0.5529614813204325
Energy: 0.600509955106611
Energy: 0.5611161095983594
Energy: 0.4873566443012412
Energy: 0.5973997803447579
Energy: 0.5174302947328322
Energy: 0.5611161096012112
Energy: 0.48735664429838943
Energy: 0.5973997803441241
Energy: 0.5462752789134305
Energy: 0.5463758008857791
Energy: 0.547675799437307
Energy: 0.5814496250929119
Energy: 0.5462752789165992
Energy: 0.5463758008822935
Energy: 0.5476757994414262
Energy: 0.5328492102412298
Energy: 0.551930482542194
Energy: 0.5780603843506319
Energy: 0.5300280417247694
Energy: 0.5328492102345755
Energy: 0.5519304825425109
Energy: 0.5780603843553848
Energy: 0.5514517815564653
Energy: 0.566224170605969
Energy: 0.5880779583763273
Energy: 0.5748732889649448
Energy: 0.5514517815593172
Energy: 0.5662241706126231
Energy: 0.5880779583737924
Energy: 0.5925134641609359
Energy: 0.5255131574187744
Energy: 0.5715285065933285
Energy: 0.573378304058539
Energy: 0.5925134641577672
Energy: 0.5255131574181405
Energy: 0.5715285065961804
Energy: 0.5807914713755942
Energy: 0.5674488733727543
Energy: 0.5798840963721144
Energy: 0.5572323339554427
Energy: 0.580791471373376
Energy: 0.567448873368952
Energy: 0.5650488637202005
Energy: 0.5662961837894138
Energy: 0.5711707209043749
Energy: 0.568926857062629
Energy: 0.5534727885182478
Energy: 0.5662961837909981
Energy: 0.5711707209046918
Energy: 0.5689268570613903
Energy: 0.5402860423129845
Energy: 0.6026478540730494
Energy: 0.6123123191585311
Energy: 0.5444120502272438
Energy: 0.5402860423145687
Energy: 0.6026478540717821
Energy: 0.5827543588289652
Energy: 0.5315285581876582
Energy: 0.5345439922314209
Energy: 0.594957475262613
Energy: 0.5137086557684112
Energy: 0.5315285581870245
Energy: 0.534543992233322
Energy: 0.5949574752622961
Energy: 0.5787450309169161
Energy: 0.5917338764779341
Energy: 0.5989624867063968
Energy: 0.5407434614154603
Energy: 0.5787450309150148
Energy: 0.5917338764684281
Energy: 0.59896248670608
Energy: 0.5629214127690955
Energy: 0.5284878670208093
Energy: 0.58057174051445
Energy: 0.49431893788744796
Energy: 0.5629214127662436
Energy: 0.528487867021443
Energy: 0.5805717405119152
Energy: 0.5570947910558199
Energy: 0.5996808765861669
Energy: 0.5873518208218751
Energy: 0.5297448986086437
Energy: 0.5570947910545525
Energy: 0.5996808765871176
Energy: 0.5785169766371706
Energy: 0.5639061983720739
Energy: 0.5485780856699589
Energy: 0.5966575294482737
Energy: 0.5199277078567336
Energy: 0.5639061983657365
Energy: 0.5485780856696421
Energy: 0.5966575294501748
Energy: 0.5332278969296358
Energy: 0.5220327928768372
Energy: 0.6199801266098018
Energy: 0.510649018910662
Energy: 0.5332278969302694
Energy: 0.5220327928774711
Energy: 0.6199801266142235
Energy: 0.5530905929471049
Energy: 0.5438425563565428
Energy: 0.6020485605650605
Energy: 0.6117785401864195
Energy: 0.5530905929445701
Energy: 0.5438425563581271
Energy: 0.602048560568863

minimum gb energy = 0.47034201182760915 eV
minimum distance =  2.39887994016795 Angstroms
sigma value = 39


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

Energy: 0.5006966842214958
Energy: 0.5071308917476729
Energy: 0.46154921069296406
Energy: 0.5072211728905531
Energy: 0.5006966842207479
Energy: 0.5071308917551521
Energy: 0.4659374022527392
Energy: 0.46036677482121446
Energy: 0.5042507366890179
Energy: 0.44472496202267026
Energy: 0.5043258817062518
Energy: 0.46036677482757177
Energy: 0.5042507367009507
Energy: 0.4447249620196785
Energy: 0.49271479299288434
Energy: 0.41945617020226544
Energy: 0.47914103133947183
Energy: 0.44106538639797277
Energy: 0.49271479298802284
Energy: 0.4194561702086228
Energy: 0.4791410313252613
Energy: 0.48699750455019425
Energy: 0.5043336029816062
Energy: 0.4334669366364051
Energy: 0.47946460621596737
Energy: 0.4869975045460807
Energy: 0.5043336029864678
Energy: 0.433466936626682
Energy: 0.511790238578668
Energy: 0.5218040500263388
Energy: 0.4410291738465061
Energy: 0.4408207051235908
Energy: 0.5117902385906349
Energy: 0.5218040500330702
Energy: 0.45099160159849727
Energy: 0.49225934323612747
Energy: 0.5174206471701154
Energy: 0.5088865983445128
Energy: 0.47195939821506316
Energy: 0.4922593432391192
Energy: 0.5174206471704894
Energy: 0.5088865983359118
Energy: 0.5472009825221472
Energy: 0.5211293075252259
Energy: 0.4207701529210539
Energy: 0.5239442814369433
Energy: 0.5472009825314963
Energy: 0.5211293075117632
Energy: 0.44150946324545703
Energy: 0.4915695823071875
Energy: 0.4090754964002233
Energy: 0.5312343931582993
Energy: 0.4090679486315261
Energy: 0.4915695823165366
Energy: 0.40907549639984925
Energy: 0.5312343931556816
Energy: 0.547209370487318
Energy: 0.5239384225610059
Energy: 0.4200282904240957
Energy: 0.5211310713722408
Energy: 0.5472093704869442
Energy: 0.5239384225527787
Energy: 0.42002829042746126
Energy: 0.4922188967127742
Energy: 0.47203744612553794
Energy: 0.5088944165234377
Energy: 0.5174275547342642
Energy: 0.4922188967004335
Energy: 0.47203744611771875
Energy: 0.5088944165312909
Energy: 0.5117863825308282
Energy: 0.4408706098997488
Energy: 0.40777939431005117
Energy: 0.5209334504199935
Energy: 0.5117863825319502
Energy: 0.4408706098855382
Energy: 0.4431604561869113
Energy: 0.48697987572098367
Energy: 0.4795387995625848
Energy: 0.43301210226826037
Energy: 0.5044099487441768
Energy: 0.48697987572135765
Energy: 0.47953879956221085
Energy: 0.4330121022637728
Energy: 0.49286123346003274
Energy: 0.44092463263830983
Energy: 0.45009407976719307
Energy: 0.4194647194031485
Energy: 0.49286123345180555
Energy: 0.4409246326439192
Energy: 0.4779701452152439
Energy: 0.46038796376262725
Energy: 0.5044164406036639
Energy: 0.44470854234882345
Energy: 0.5042586107380426
Energy: 0.46038796377493396
Energy: 0.5044164406092734
Energy: 0.4447085423548069
Energy: 0.5006966842207479
Energy: 0.5071308917491687
Energy: 0.4352048997233391
Energy: 0.5072211728894312
Energy: 0.5006966842192521
Energy: 0.5071308917555261
Energy: 0.43520489972558285
Energy: 0.46036677482158833
Energy: 0.5042507366890179
Energy: 0.44472496202416606
Energy: 0.5043258817073737
Energy: 0.46036677482682387
Energy: 0.5042507367002028
Energy: 0.44472496202005246
Energy: 0.49271479299625004
Energy: 0.4194561702026394
Energy: 0.47914103133760205
Energy: 0.4410653863983467
Energy: 0.49271479298839677
Energy: 0.4194561702075009
Energy: 0.47914103132413943
Energy: 0.4869975045498203
Energy: 0.5043336029827282
Energy: 0.43346693663715297
Energy: 0.4794646062140976
Energy: 0.4869975045479505
Energy: 0.5043336029872157
Energy: 0.43346693662855185
Energy: 0.511790238579042
Energy: 0.5218040500259649
Energy: 0.4509916015925139
Energy: 0.4408207051235908
Energy: 0.5117902385902608
Energy: 0.5218040500338181
Energy: 0.4509916015988713
Energy: 0.4922593432372494
Energy: 0.5174206471701154
Energy: 0.5088865983460087
Energy: 0.47195939821431526
Energy: 0.49225934323949316
Energy: 0.5174206471697416
Energy: 0.5088865983306763
Energy: 0.5472009825225211
Energy: 0.521129307522982
Energy: 0.41480213051665416
Energy: 0.5239442814384391
Energy: 0.5472009825314963
Energy: 0.5211293075117632
Energy: 0.41480213050693115
Energy: 0.4915695823094313
Energy: 0.4090754963987274
Energy: 0.5312343931579254
Energy: 0.40906794863115215
Energy: 0.49156958231541475
Energy: 0.4090754963991013
Energy: 0.5312343931553077
Energy: 0.547209370487692
Energy: 0.5239384225602579
Energy: 0.42003274287579795
Energy: 0.521131071371867
Energy: 0.5472093704865701
Energy: 0.5239384225539006
Energy: 0.4284902499383693
Energy: 0.49221889671352215
Energy: 0.47203744612366816
Energy: 0.5088944165230637
Energy: 0.5174275547342642
Energy: 0.49221889669893765
Energy: 0.4720374461173448
Energy: 0.5088944165297951
Energy: 0.5117863825308282
Energy: 0.4408706099001228
Energy: 0.4447690904827477
Energy: 0.5209334504196197
Energy: 0.5117863825319502
Energy: 0.4408706098870341
Energy: 0.4186219931275943
Energy: 0.4869798757247233
Energy: 0.47953879956146295
Energy: 0.4330121022678864
Energy: 0.5044099487441768
Energy: 0.4869798757221056
Energy: 0.47953879956482853
Energy: 0.43301210226227693
Energy: 0.4928612334589108
Energy: 0.44092463263830983
Energy: 0.4500940797660712
Energy: 0.41946471940277447
Energy: 0.49286123345105765
Energy: 0.4409246326424233
Energy: 0.45009407977317645
Energy: 0.4603879637633752
Energy: 0.504416440602916
Energy: 0.44470854234882345
Energy: 0.5042586107369207
Energy: 0.46038796377530794
Energy: 0.5044164406107692
Energy: 0.4447085423548069
Energy: 0.500696684220374
Energy: 0.5071308917480468
Energy: 0.4607818515680325
Energy: 0.5072211728901791
Energy: 0.5006966842218699
Energy: 0.5071308917570219
Energy: 0.46188435090534175
Energy: 0.4603667748200925
Energy: 0.5042507366890179
Energy: 0.4447249620237921
Energy: 0.5043258817058779
Energy: 0.46036677482682387
Energy: 0.5042507367005767
Energy: 0.44472496202042644

minimum gb energy = 0.40777939431005117 eV
minimum distance =  2.42233917015768 Angstroms
sigma value = 21


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

Energy: 0.5348422543311446
Energy: 0.56776184099706
Energy: 0.5375507374911187
Energy: 0.5676633483254013
Energy: 0.5348422543270589
Energy: 0.5677618409929742
Energy: 0.550825505993295
Energy: 0.6026574041750966
Energy: 0.5501139366331524
Energy: 0.47294022198205854
Energy: 0.5601048112237942
Energy: 0.6026574041769125
Energy: 0.5501139366313365
Energy: 0.4729402219793347
Energy: 0.535969970551525
Energy: 0.5101968911959969
Energy: 0.5343383684770915
Energy: 0.5370196128922182
Energy: 0.5359699705497091
Energy: 0.5101968911905491
Energy: 0.5343383684811772
Energy: 0.5695336345605663
Energy: 0.5477305481326894
Energy: 0.511015668919978
Energy: 0.5239842823002251
Energy: 0.5695336345664679
Energy: 0.5477305481354131
Energy: 0.511015668924951
Energy: 0.503634296675913
Energy: 0.56883379687518
Energy: 0.5107133341348794
Energy: 0.5126557282788186
Energy: 0.5036342966768209
Energy: 0.5688337968765419
Energy: 0.5002109273440551
Energy: 0.5818302149374525
Energy: 0.5505784605707128
Energy: 0.5570655353323086
Energy: 0.5031213137232364
Energy: 0.5818302149365445
Energy: 0.550578460567081
Energy: 0.5570655353286769
Energy: 0.5345976645461793
Energy: 0.5688789253414732
Energy: 0.5107535733374938
Energy: 0.5186058913792579
Energy: 0.5345976645484491
Energy: 0.5688789253423812
Energy: 0.5003112962176127
Energy: 0.5680691368083753
Energy: 0.5905449541588752
Energy: 0.547168394889167
Energy: 0.505060447264815
Energy: 0.5680691368101912
Energy: 0.5905449541593292
Energy: 0.5471683948887129
Energy: 0.5637512856145696
Energy: 0.5051202156188943
Energy: 0.5850567288897361
Energy: 0.5314711012007386
Energy: 0.5637512856122998
Energy: 0.5051202156179864
Energy: 0.5850567288874664
Energy: 0.5391593152728754
Energy: 0.5304674382111776
Energy: 0.490376243092946
Energy: 0.586428760494748
Energy: 0.5391593152733295
Energy: 0.5304674382125396
Energy: 0.49037624309203803
Energy: 0.703648452361229
Energy: 0.5239923959035451
Energy: 0.5742039953316875
Energy: 0.5210259055653775
Energy: 0.7036484523634781
Energy: 0.5239923959026372
Energy: 0.5848778553300473
Energy: 0.5451694778417457
Energy: 0.5341013767021392
Energy: 0.5635066027162475
Energy: 0.608328166681328
Energy: 0.5451694778417457
Energy: 0.5341013767021392
Energy: 0.5635066027216952
Energy: 0.7032055349741468
Energy: 0.499927480785314
Energy: 0.5219813637819228
Energy: 0.5378882929630321
Energy: 0.7032055349755085
Energy: 0.49992748078349813
Energy: 0.5322160237799998
Energy: 0.5681944034562024
Energy: 0.5335960408251667
Energy: 0.5667137659129202
Energy: 0.5586287861514221
Energy: 0.568194403463012
Energy: 0.5335960408242587
Energy: 0.5667137659124661
Energy: 0.5781142578067779
Energy: 0.5103527040626947
Energy: 0.5190281185532905
Energy: 0.5452961336211083
Energy: 0.5781142578081399
Energy: 0.5103527040667805
Energy: 0.5190281185573762
Energy: 0.5134094335439409
Energy: 0.5085191301097274
Energy: 0.547246588670092
Energy: 0.5194301905585861
Energy: 0.5134094335443948
Energy: 0.5085191301092733
Energy: 0.547246588670092
Energy: 0.5783651598437055
Energy: 0.5097032611621716
Energy: 0.5630172798192551
Energy: 0.5453874598048651
Energy: 0.5783651598414358
Energy: 0.5097032611707971
Energy: 0.5630172798124455
Energy: 0.5134945251363658
Energy: 0.5404719725694839
Energy: 0.5385869700235757
Energy: 0.5639410233263545
Energy: 0.5134945251390898
Energy: 0.5404719725771807
Energy: 0.5385869700213058
Energy: 0.5296084593400799
Energy: 0.5096958418395247
Energy: 0.6463299171007901
Energy: 0.5249247643241445
Energy: 0.529608459339172
Energy: 0.5096958418404326
Energy: 0.6463299170989741
Energy: 0.5093109699048602
Energy: 0.5417008813365136
Energy: 0.5112939031865208
Energy: 0.5418236006493072
Energy: 0.5093109699053142
Energy: 0.5417008813401454
Energy: 0.5112939031860669
Energy: 0.5296819154984799
Energy: 0.524827216425695
Energy: 0.6463886476704267
Energy: 0.5097320502798219
Energy: 0.5296819154966641
Energy: 0.5248272164207013
Energy: 0.6463886476736045
Energy: 0.5134999583506362
Energy: 0.5639250806977801
Energy: 0.5386000893573667
Energy: 0.5404586623038856
Energy: 0.5134999583501824
Energy: 0.5639250806995961
Energy: 0.5386000893591825
Energy: 0.578389816321579
Energy: 0.5452149392870563
Energy: 0.5352836165351528
Energy: 0.5097209050848673
Energy: 0.5783898163233949
Energy: 0.545214939291596
Energy: 0.5352836165383307
Energy: 0.513417360830888
Energy: 0.5192819764593544
Energy: 0.5472019293547974
Energy: 0.5084702261644448
Energy: 0.5134173608272563
Energy: 0.5192819764625323
Energy: 0.5472019293575007
Energy: 0.5782044271470761
Energy: 0.5279738808436099
Energy: 0.5947452687908819
Energy: 0.5104092604000702
Energy: 0.5782044271488921
Energy: 0.527973880840886
Energy: 0.5947452687972375

minimum gb energy = 0.4729402219793347 eV
minimum distance =  2.40359601843802 Angstroms
sigma value = 113


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

Energy: 0.3322528940494618
Energy: 0.34809113143934095
Energy: 0.2956550165245466
Energy: 0.348110559323913
Energy: 0.3322528940527324
Energy: 0.34809113143934095
Energy: 0.3136633205885445
Energy: 0.3506809700992179
Energy: 0.33750598640166485
Energy: 0.3858049246757937
Energy: 0.33825281457839024
Energy: 0.3506809701047919
Energy: 0.3375059863978875
Energy: 0.3858049246649222
Energy: 0.33217177631920997
Energy: 0.30238246764621524
Energy: 0.3221044653503766
Energy: 0.3020601249425883
Energy: 0.3321717763255209
Energy: 0.30238246764041093
Energy: 0.32210446535977405
Energy: 0.2929293992238726
Energy: 0.3622237482489361
Energy: 0.4078268909495178
Energy: 0.3542171011066955
Energy: 0.29292939922364236
Energy: 0.36222374825372694
Energy: 0.4078268909690036
Energy: 0.33814895496766045
Energy: 0.2926125571534039
Energy: 0.32804523200437463
Energy: 0.28178578035516794
Energy: 0.33814895496793684
Energy: 0.2926125571488434
Energy: 0.32455168984589183
Energy: 0.29239213046552487
Energy: 0.29470954531905186
Energy: 0.2935158461525339
Energy: 0.28499952714386956
Energy: 0.2923921304660316
Energy: 0.2947095453253629
Energy: 0.29351584616695253
Energy: 0.30785567476758596
Energy: 0.2868951856534856
Energy: 0.33888398833108563
Energy: 0.2947136812029154
Energy: 0.30785567477011955
Energy: 0.2868951856463915
Energy: 0.33888398835282874
Energy: 0.29573210245883425
Energy: 0.31778736702767
Energy: 0.38629667871429224
Energy: 0.3385273527973962
Energy: 0.29573210245657705
Energy: 0.31778736704793903
Energy: 0.38629667870314427
Energy: 0.3079869298308741
Energy: 0.29849978526824217
Energy: 0.3747694686946402
Energy: 0.29223474008624584
Energy: 0.3079869298187588
Energy: 0.29849978526317494
Energy: 0.374769468690356
Energy: 0.2781106589909881
Energy: 0.3175437263293489
Energy: 0.36207534436945954
Energy: 0.3045944965832055
Energy: 0.2781106589773066
Energy: 0.3175437263496179
Energy: 0.36207534438466127
Energy: 0.3125614875667953
Energy: 0.314910608446065
Energy: 0.368790631288615
Energy: 0.29218717045159814
Energy: 0.3125614875634786
Energy: 0.3149106084564298
Energy: 0.39253548684184647
Energy: 0.2930486894195891
Energy: 0.32405704610436925
Energy: 0.41038416650971066
Energy: 0.3066767596967391
Energy: 0.29304868943073703
Energy: 0.32405704610616587
Energy: 0.4103841665165284
Energy: 0.32085986687660456
Energy: 0.3067877384669066
Energy: 0.3931759606908186
Energy: 0.3118170845884028
Energy: 0.32085986690295426
Energy: 0.3067877384676436
Energy: 0.3931759606885613
Energy: 0.3122387452676852
Energy: 0.36196073515350385
Energy: 0.4109771489545528
Energy: 0.3273219836777497
Energy: 0.3122387452813667
Energy: 0.36196073513655164
Energy: 0.41097714896901744
Energy: 0.32066694778162436
Energy: 0.32118723090872237
Energy: 0.4462775074786615
Energy: 0.36171601511921014
Energy: 0.3206669477879354
Energy: 0.32118723089301393
Energy: 0.4462775074923431
Energy: 0.3123886610194461
Energy: 0.3173074621059032
Energy: 0.35346375385886736
Energy: 0.30656514129387497
Energy: 0.31238866101032514
Energy: 0.3173074621135041
Energy: 0.353463753858637
Energy: 0.3518555600925547
Energy: 0.30695735712632694
Energy: 0.44713267846482774
Energy: 0.3100656625062862
Energy: 0.35185556010443975
Energy: 0.3069573571460891
Energy: 0.4471326784785093
Energy: 0.2781089029712227
Energy: 0.3299336925985627
Energy: 0.41450880409529145
Energy: 0.314130827869235
Energy: 0.2781089029426158
Energy: 0.32993369259833233
Energy: 0.41450880407502244
Energy: 0.35239273639687635
Energy: 0.3060984842450638
Energy: 0.3933837808497372
Energy: 0.3517813804080825
Energy: 0.3523927363996403
Energy: 0.3060984842569949
Energy: 0.39338378083734543
Energy: 0.28046399595187926
Energy: 0.2983249720275263
Energy: 0.34717891107689386
Energy: 0.308377657409487
Energy: 0.2804639959551499
Energy: 0.2983249720325935
Energy: 0.3471789110571316
Energy: 0.3200098395836674
Energy: 0.29290303100257636
Energy: 0.39338836643486097
Energy: 0.34864217157913774
Energy: 0.3200098395938019
Energy: 0.29290303100584714
Energy: 0.3933883664310835
Energy: 0.292085349621763
Energy: 0.305504518178767
Energy: 0.32927938926543293
Energy: 0.2980344435885772
Energy: 0.2920853496417556
Energy: 0.305504518181531
Energy: 0.329279389254285
Energy: 0.31403300988853294
Energy: 0.28641367140473456
Energy: 0.4022645406153329
Energy: 0.3594224731376565
Energy: 0.31403300988673644
Energy: 0.2864136714087884
Energy: 0.3897568667347126
Energy: 0.3076285684619924
Energy: 0.2941230199492141
Energy: 0.31797620194788406
Energy: 0.29372241590421355
Energy: 0.30762856845006137
Energy: 0.29412301994262663
Energy: 0.3179762019460875
Energy: 0.3063779906551008
Energy: 0.32801837137789486
Energy: 0.30261802421766953
Energy: 0.3575143367308409
Energy: 0.3063779906315612
Energy: 0.32801837137434775
Energy: 0.302618024218683
Energy: 0.3039411549139877
Energy: 0.32242694071048766
Energy: 0.37196769645514216
Energy: 0.31509513795900634
Energy: 0.3039411549241222
Energy: 0.3224269406935355
Energy: 0.3719676964624665
Energy: 0.38196714859478714
Energy: 0.3318275697375711
Energy: 0.3263100303753673
Energy: 0.3557978680052747
Energy: 0.3819671486034015
Energy: 0.33182756973959804
Energy: 0.32631003037969747
Energy: 0.30132307324563584
Energy: 0.357362494835714
Energy: 0.4248564380790163
Energy: 0.349232273917154
Energy: 0.30132307325070307
Energy: 0.35736249483166016
Energy: 0.4248564380701716
Energy: 0.3725744949629154
Energy: 0.32117124838858657
Energy: 0.34650683512014185
Energy: 0.34801035499106653
Energy: 0.37257449495531453
Energy: 0.3211712483832891
Energy: 0.3465068351011627
Energy: 0.30120036583763293
Energy: 0.33435364838052783
Energy: 0.37241333297296353
Energy: 0.32111890914937224
Energy: 0.30120036583155224
Energy: 0.33435364837951437
Energy: 0.37241333296411894
Energy: 0.3226726075399411
Energy: 0.32032768476073586
Energy: 0.3960244097727948
Energy: 0.36698261926149733
Energy: 0.3226726075553731
Energy: 0.32032768474958795
Energy: 0.39602440976542425
Energy: 0.30109641797449294
Energy: 0.2991406810986062
Energy: 0.3749987769561167
Energy: 0.30353867185849537
Energy: 0.30109641797016273
Energy: 0.2991406810925255
Energy: 0.37499877694165207
Energy: 0.32269148360591043
Energy: 0.2954494432831655
Energy: 0.42020847983385845
Energy: 0.30193374054519684
Energy: 0.3226914835904323
Energy: 0.2954494432702211
Energy: 0.42020847984500637
Energy: 0.33977888416656044
Energy: 0.3042448648236457
Energy: 0.32268699357002045
Energy: 0.31603717071527926
Energy: 0.33977888417393093
Energy: 0.30424486479706575
Energy: 0.3226869935793718
Energy: 0.31485631144580417
Energy: 0.30466949591513265
Energy: 0.36373557404929846
Energy: 0.31021510491107057
Energy: 0.3148563114463109
Energy: 0.3046694959141192
Energy: 0.36373557405970935
Energy: 0.33975894795434325
Energy: 0.31504379841590957
Energy: 0.3020282883372383
Energy: 0.30005222976554224
Energy: 0.33975894795434325
Energy: 0.3150437984177061
Energy: 0.3020282883377451
Energy: 0.3148114587887373
Energy: 0.31339051900785325
Energy: 0.37461744643276607
Energy: 0.35782687544285974
Energy: 0.31481145878417677
Energy: 0.3133905190225483
Energy: 0.3746174464365895
Energy: 0.35081195916182134
Energy: 0.3115668377721109
Energy: 0.3189798176463954
Energy: 0.3002304272661535
Energy: 0.35081195914182883
Energy: 0.31156683777915894
Energy: 0.31897981766565087
Energy: 0.31483928522145843
Energy: 0.3371997878555315
Energy: 0.438128538209598
Energy: 0.3291206545408788
Energy: 0.3148392852363837
Energy: 0.3371997878608291
Energy: 0.4381285382113485
Energy: 0.3281703539403034
Energy: 0.34046112331801653
Energy: 0.35644937399285265
Energy: 0.3435100613875449
Energy: 0.3281703539486414
Energy: 0.3404611233144695
Energy: 0.3564493739781576
Energy: 0.3358309573623882
Energy: 0.3435165576751911
Energy: 0.43742470566771635
Energy: 0.3558452291192749
Energy: 0.3358309573757933
Energy: 0.34351655768228523
Energy: 0.43742470565629205
Energy: 0.32816338414150215
Energy: 0.31108400531365793
Energy: 0.41492371892602337
Energy: 0.33928529085015685
Energy: 0.3281633841341316
Energy: 0.3110840053035234
Energy: 0.41492371890732066
Energy: 0.31360835852537355
Energy: 0.3435503675565509
Energy: 0.35516279463783845
Energy: 0.3439817164259749
Energy: 0.31360835853196095
Energy: 0.3435503675598676
Energy: 0.3551627946441494
Energy: 0.3407638499251794
Energy: 0.3044452084925595
Energy: 0.40840559606686805
Energy: 0.2870405911192429
Energy: 0.3407638499327802
Energy: 0.30444520850145024
Energy: 0.40840559608405064
Energy: 0.2916565306297338
Energy: 0.3162525557432477
Energy: 0.4148003741449898
Energy: 0.3320170491750695
Energy: 0.29165653064921965
Energy: 0.31625255573744326
Energy: 0.4148003741556311

minimum gb energy = 0.2781089029426158 eV
minimum distance =  2.40719850612959 Angstroms
sigma value = 365


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

Energy: 0.73009437445742
Energy: 0.7305914923523963
Energy: 0.4348835803348514
Energy: 0.7305914923529675
Energy: 0.7300943744637036
Energy: 0.7305914923609648
Energy: 0.4638450533822331
Energy: 0.7300943744654174
Energy: 0.7305914923552524
Energy: 0.4202618205201425
Energy: 0.7305914923552524
Energy: 0.7300943744568489
Energy: 0.7305914923558237
Energy: 0.4638450533856605
Energy: 0.7300943744591337
Energy: 0.7305914923569662
Energy: 0.4222115202959599
Energy: 0.730591492356395
Energy: 0.7300943744631324
Energy: 0.7305914923558237
Energy: 0.4638450533839468
Energy: 0.7300943744562776
Energy: 0.7305914923535388
Energy: 0.4348835803354227
Energy: 0.7305914923523963
Energy: 0.7300943744648462
Energy: 0.7305914923621073
Energy: 0.4638450533816619
Energy: 0.7300943744648462
Energy: 0.730591492356395
Energy: 0.47049424571295967
Energy: 0.7305914923552524
Energy: 0.7300943744591337
Energy: 0.7305914923552524
Energy: 0.4638450533862317
Energy: 0.7300943744591337
Energy: 0.730591492356395
Energy: 0.4222115202959599
Energy: 0.7305914923586799
Energy: 0.7300943744648462
Energy: 0.7305914923575374
Energy: 0.4638450533839468
Energy: 0.7300943744602763
Energy: 0.7305914923541099
Energy: 0.38273245017829105
Energy: 0.7305914923569662
Energy: 0.7300943744614187
Energy: 0.7305914923609648
Energy: 0.4638450533816619
Energy: 0.7300943744631324
Energy: 0.7305914923586799
Energy: 0.43537314536274513
Energy: 0.7305914923558237
Energy: 0.7300943744551351
Energy: 0.7305914923558237
Energy: 0.4638450533862317
Energy: 0.7300943744608476
Energy: 0.7305914923558237
Energy: 0.4348422047377552
Energy: 0.7305914923598223
Energy: 0.7300943744637036
Energy: 0.7305914923581086
Energy: 0.46384505338451804
Energy: 0.7300943744585625
Energy: 0.7305914923552524
Energy: 0.4348835803348514
Energy: 0.7305914923546812
Energy: 0.7300943744648462
Energy: 0.7305914923615361
Energy: 0.4638450533822331
Energy: 0.7300943744631324
Energy: 0.7305914923581086
Energy: 0.39359579245739323
Energy: 0.7305914923552524
Energy: 0.7300943744557062
Energy: 0.7305914923569662
Energy: 0.4638450533856605
Energy: 0.7300943744602763
Energy: 0.7305914923569662
Energy: 0.4638450533850893
Energy: 0.7305914923581086
Energy: 0.7300943744654174
Energy: 0.7305914923569662
Energy: 0.4638450533839468
Energy: 0.7300943744597049
Energy: 0.7305914923529675
Energy: 0.4348835803342802
Energy: 0.7305914923535388
Energy: 0.7300943744671311
Energy: 0.7305914923603937
Energy: 0.4638450533822331
Energy: 0.7300943744659887
Energy: 0.730591492359251
Energy: 0.45684282345263016
Energy: 0.7305914923558237
Energy: 0.7300943744562776
Energy: 0.7305914923558237
Energy: 0.4638450533862317
Energy: 0.7300943744585625
Energy: 0.7305914923552524
Energy: 0.4638450533856605
Energy: 0.7305914923581086
Energy: 0.7300943744625611
Energy: 0.7305914923581086
Energy: 0.46384505338451804
Energy: 0.7300943744568489
Energy: 0.7305914923501113
Energy: 0.4348835803354227
Energy: 0.730591492356395
Energy: 0.7300943744637036
Energy: 0.7305914923598223
Energy: 0.4638450533816619
Energy: 0.7300943744642748
Energy: 0.7305914923598223
Energy: 0.41003295230026393
Energy: 0.730591492356395
Energy: 0.7300943744585625
Energy: 0.7305914923546812
Energy: 0.4638450533856605
Energy: 0.7300943744602763
Energy: 0.7305914923546812
Energy: 0.4222115202953886
Energy: 0.7305914923569662
Energy: 0.7300943744642748
Energy: 0.7305914923558237
Energy: 0.46384505338451804
Energy: 0.7300943744551351
Energy: 0.7305914923575374
Energy: 0.4348835803354227
Energy: 0.7305914923546812
Energy: 0.7300943744654174
Energy: 0.7305914923603937
Energy: 0.4638450533822331
Energy: 0.7300943744631324
Energy: 0.7305914923598223
Energy: 0.38081796312566135
Energy: 0.7305914923535388
Energy: 0.7300943744602763
Energy: 0.7305914923541099
Energy: 0.463845053386803

minimum gb energy = 0.38081796312566135 eV
minimum distance =  2.51550625875523 Angstroms
sigma value = 23