Model name: model_name=MEAM_LAMMPS_KimKimJung_2016_AlTi__MO_618133763375_001
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650778174401
cohesive_energy=3.3602642807338423
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.06278639450866e-19, 2.6524835264187e-19, 3.0828281703111e-19, 3.42542159995932e-19, 3.7098079524943198e-19, 3.95159242833126e-19, 4.16019582607806e-19, 4.338630237806639e-19, 4.49357674008078e-19, 4.63291804193976e-19, 4.755500576207099e-19, 4.86327899837628e-19, 4.95782344154862e-19, 5.040431668797659e-19, 5.1121450949355e-19, 5.17389298240986e-19, 5.22644437600506e-19, 5.2704401463747e-19, 5.3064891206397e-19, 5.335087973556599e-19, 5.356685314582919e-19, 5.371681687877159e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.37030381597192e-19, 5.35229535060576e-19, 5.32472189073462e-19, 5.285869107360119e-19, 5.23362212732538e-19, 5.16548155508136e-19, 5.078355189724439e-19, 4.968542003230079e-19, 4.831459770425039e-19, 4.661420764258619e-19, 4.45142347284024e-19, 4.19262388115022e-19, 3.87383879628324e-19, 3.48079282443036e-19, 2.9950288907678997e-19, 2.3924502587205e-19, 1.6410935044398598e-19, 6.98005874545074e-20, -4.955259958934219e-20, -2.02137012851976e-19, -3.99602078639208e-19, -6.58964034327762e-19, -1.005825662528958e-18, -1.4800314939537417e-18, -2.1462758189064e-18, -3.11512805125254e-18, -4.58810516148678e-18, -6.96430934913852e-18, -1.112867083446498e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01171330682267013
Energy: 0.06258545122772534
Energy: 0.06157563504629359
Energy: 0.061471159278177506
Energy: 0.012293190174392841
Energy: 0.012627905987845526
Energy: 0.06204103546720384
Energy: 0.06156536609369546
Energy: 0.061486187451322456
Energy: 0.012250344483901733
Energy: 0.061684175240448634
Energy: 0.23955927537619698
Energy: 0.06235824578853541
Energy: 0.06131542432441338
Energy: 0.061403010475046496
Energy: 0.06172613147738729
Energy: 0.06117296203242644
Energy: 0.062203996352151084
Energy: 0.0614328293217369
Energy: 0.061560415164303016
Energy: 0.06146023168880218
Energy: 0.012292487163070666
Energy: 0.012031176521766555
Energy: 0.06223100694737809
Energy: 0.061417492686099355
Energy: 0.06140814675018593
Energy: 0.012200530666647042
Energy: 0.012024939535460464
Energy: 0.061672993702860064
Energy: 0.061466156237552166
Energy: 0.06140197273961624
Energy: 0.012307517966662738
Energy: 0.012250969621029903
Energy: 0.061350195163518924
Energy: 0.06153001406035221
Energy: 0.06135990321053337
Energy: 0.012176687897043237
Energy: 0.012130282472912694
Energy: 0.24082906488491004
Energy: 0.06151408144281979
Energy: 0.06148487102268032
Energy: 0.06147531460475563
Energy: 0.06140247376967084
Energy: 0.012056844739480758
Energy: 0.01215729936775509
Energy: 0.061408719530257526
Energy: 0.0615243736353469
Energy: 0.06147433976079362
Energy: 0.01220512811264862
Energy: 0.23959466086877412
Energy: 0.061406039184338096
Energy: 0.061168686256448335
Energy: 0.06166644125035682
Energy: 0.01214809571070909
Energy: 0.012277216385213906
Energy: 0.06127845034892719
Energy: 0.5172839198569951
Energy: 0.062462110728235064
Energy: 0.012215641000744576
Energy: 0.012285553869051558
Energy: 0.012419184717798184
Energy: 0.061218329739602215
Energy: 0.06142460641818365
Energy: 0.06317891667557034
Energy: 0.06134547352504715
Energy: 0.01247981759914274
Energy: 0.061265296609514436
Energy: 0.061459405090947966
Energy: 0.06191283956030331
Energy: 0.061434180683583965

minimum gb energy = 0.01171330682267013 eV
minimum distance =  2.82510679075953 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 0.6417683018882738
Energy: 0.6115037825368139
Energy: 0.612552829831091
Energy: 0.6786184801353881
Energy: 0.6920488081023877
Energy: 0.664285389050211
Energy: 0.6113458075755992
Energy: 0.6073308883415651
Energy: 0.6590281559316448
Energy: 0.6162550875992397
Energy: 0.7162835523688077
Energy: 0.6072752789394813
Energy: 0.557557394328552
Energy: 0.4981706543577409
Energy: 0.5594432865814638
Energy: 0.7091096122916131
Energy: 0.6121214613391821
Energy: 0.5534479664547326
Energy: 0.5605788143945091
Energy: 0.6045557601809676
Energy: 0.6688503281067614
Energy: 0.5521702503002832
Energy: 0.5520149747291423
Energy: 0.5563925312517831
Energy: 0.5548298099901608
Energy: 0.6625075793667423
Energy: 0.5528856067130177
Energy: 0.6048990403423153
Energy: 0.608862592564662
Energy: 0.610816215377526
Energy: 0.6074336799437052
Energy: 0.5545358276439989
Energy: 0.5512452901227317
Energy: 0.554935255570656
Energy: 0.5514159810886994
Energy: 0.610143515423788
Energy: 0.5576774822449814
Energy: 0.6098424454163787
Energy: 0.6073038574146968
Energy: 0.5853278660440387
Energy: 0.6201419159342599
Energy: 0.66442464500833
Energy: 0.5818406010473104
Energy: 0.5596647525179984
Energy: 0.49789653238587034
Energy: 0.6222689636190543
Energy: 0.6669300433661185
Energy: 0.5250500053233007
Energy: 0.5305127962644142
Energy: 0.7005537583117375
Energy: 0.7447504271864608
Energy: 0.5535111526917382
Energy: 0.5522523662052985
Energy: 0.6638977919553163
Energy: 0.6370524938366842
Energy: 0.7461547117412471
Energy: 0.5270545431306998
Energy: 0.5248871665269841
Energy: 0.6383955996753171
Energy: 0.6273298244711667
Energy: 0.6436770141366651
Energy: 0.4997073354960113
Energy: 0.5624434112302888
Energy: 0.6063814925772161
Energy: 0.6318617265399165
Energy: 0.6425583576354682
Energy: 0.5898457656302665
Energy: 0.6038998164491732
Energy: 0.6479642749039674
Energy: 0.6263279739286493
Energy: 0.6743464780703115
Energy: 0.6834172903417304
Energy: 0.5893879917464439
Energy: 0.6747169366364382
Energy: 0.6280813275218488
Energy: 0.6864889847679726
Energy: 0.6670295096269051
Energy: 0.5968963206258614
Energy: 0.6403587753331091
Energy: 0.6325441507799545
Energy: 0.5645019454558395
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Energy: 0.6666778300979053
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Energy: 0.7434169091587572
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Energy: 0.5615344904486141
Energy: 0.5611363088585257
Energy: 0.6410576259567848
Energy: 0.6221606939469015
Energy: 0.6957223031370484
Energy: 0.5612836740467214
Energy: 0.5633342157851865
Energy: 0.6329420103942391
Energy: 0.6207780983703968
Energy: 0.6486653381084116
Energy: 0.6899810276548064
Energy: 0.6592301607742284
Energy: 0.6228116075336056
Energy: 0.6248413310987718
Energy: 0.6827647107224306
Energy: 0.690183255632794
Energy: 0.6591022377590148
Energy: 0.6232392817882931
Energy: 0.6217991115018805
Energy: 0.6830956109459553
Energy: 0.5335766295145161
Energy: 0.7132479100703711
Energy: 0.6202303624548555
Energy: 0.5734162000026409
Energy: 0.5631649723627626
Energy: 0.5320732291339059
Energy: 0.7285655726504762
Energy: 0.6251472783558392
Energy: 0.5701683800795617
Energy: 0.5628698055033271
Energy: 0.5513952485853413
Energy: 0.6678819215222476
Energy: 0.552722185405517
Energy: 0.5530968095685567
Energy: 0.5576628221832866
Energy: 0.5516040037081614
Energy: 0.6634577205624205
Energy: 0.5548646244115208
Energy: 0.5535321183178257
Energy: 0.5568312482760336
Energy: 0.5614909922673424
Energy: 0.5573725500879312
Energy: 0.5803169043527652
Energy: 0.5502073003286604
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Energy: 0.5568344584395425
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Energy: 0.5499628921295516
Energy: 0.5330329806914114
Energy: 0.5581723234556233
Energy: 0.620652350902262
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Energy: 0.5270332057797349
Energy: 0.5316804169895234
Energy: 0.561191800879773
Energy: 0.6326969674053982
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Energy: 0.5518268151611581
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Energy: 0.7434336655025308
Energy: 0.6915585414043859
Energy: 0.5250147451547854
Energy: 0.6778576227872978
Energy: 0.6366617932989246
Energy: 0.7444927932693516
Energy: 0.5942398835467428
Energy: 0.6061713004186158
Energy: 0.7000211777543789
Energy: 0.6290024096671838
Energy: 0.660813221317064
Energy: 0.5344729894784962
Energy: 0.6023595843105335
Energy: 0.5871833244667755
Energy: 0.6283840180420102
Energy: 0.665729970030771
Energy: 0.4988425037578224
Energy: 0.6348375026059193
Energy: 0.6376043883234777
Energy: 0.6266890726362883
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Energy: 0.7058218709493564
Energy: 0.5791719999136541
Energy: 0.6746162649042171
Energy: 0.628362085206932
Energy: 0.6738298316596066
Energy: 0.6964885408165948
Energy: 0.5815633355526493
Energy: 0.6321309145521667
Energy: 0.6273498188139307
Energy: 0.5950560939197468
Energy: 0.5170657380282975
Energy: 0.6511079496764918
Energy: 0.6722753067520408
Energy: 0.6327086369608707
Energy: 0.6049097352348292
Energy: 0.5324584413316346
Energy: 0.6896949651198037
Energy: 0.6747752388031378
Energy: 0.5962244731449737
Energy: 0.5581852410452348
Energy: 0.529674573982845
Energy: 0.541690224269783
Energy: 0.5788298152480428
Energy: 0.6168129379967122
Energy: 0.5560176945282407
Energy: 0.5587268052877158
Energy: 0.5526331950769181
Energy: 0.5774775659963529
Energy: 0.6042873345865222
Energy: 0.5224891527820111
Energy: 0.5266068313656116
Energy: 0.5240487954254214
Energy: 0.5828193104541002
Energy: 0.5829841889226349
Energy: 0.554878757590619
Energy: 0.5546295900378045
Energy: 0.5522270688715368
Energy: 0.5846027366847886
Energy: 0.7149972816835871
Energy: 0.5328254848029031
Energy: 0.5318310124182697
Energy: 0.6853078418372195
Energy: 0.6423244943698035
Energy: 0.6659288294877856
Energy: 0.4993787562896488
Energy: 0.5568366788009673
Energy: 0.6541274884755729
Energy: 0.6663290135277179
Energy: 0.6038302473061339
Energy: 0.6053493561538886
Energy: 0.7118414743283128
Energy: 0.7441769191953883
Energy: 0.6365778198106816
Energy: 0.5549958639101961
Energy: 0.7358154805794536
Energy: 0.6695606705343254
Energy: 0.7430712551758611
Energy: 0.6609396231518475
Energy: 0.6141618652672461
Energy: 0.5602266618708598
Energy: 0.6234149232556443
Energy: 0.6646561191662665
Energy: 0.6825560191666057
Energy: 0.5567908412592928
Energy: 0.5000154635166779
Energy: 0.6082716845954087
Energy: 0.6660012543108288
Energy: 0.6682443823869282
Energy: 0.7448425989693215
Energy: 0.5511252601057904
Energy: 0.6122646987064478
Energy: 0.6127373416291058
Energy: 0.6783036279741962
Energy: 0.6950612834663961
Energy: 0.572597083824579
Energy: 0.6106719905507659
Energy: 0.6065717833158057
Energy: 0.6597649140231975

minimum gb energy = 0.4978694260492827 eV
minimum distance =  2.47406425906361 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 0.9889449779120902
Energy: 0.6002332734351623
Energy: 0.6078014261161955
Energy: 0.6119619189064072
Energy: 0.7249914566424694
Energy: 0.8651120469152349
Energy: 0.611061257818082
Energy: 0.6078638558341602
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Energy: 0.709061141104846
Energy: 0.5934251160529969
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Energy: 0.6104836069777295
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Energy: 0.5257751514865755
Energy: 0.506228125629124
Energy: 0.6202407287850072
Energy: 0.5808197850643397
Energy: 0.596043005797033
Energy: 0.6306560545046752
Energy: 0.7533161886249246
Energy: 0.5810035764907001
Energy: 0.5950259502757519
Energy: 0.5820882720019269
Energy: 0.5238638048651365
Energy: 0.7527692818537844
Energy: 0.5816420509524873
Energy: 0.5782189232390085
Energy: 0.5811363227553332
Energy: 0.571243169917191
Energy: 0.5989901758171599
Energy: 0.5687474697790208
Energy: 0.5289916390060871
Energy: 0.5786196959584765
Energy: 0.520065725908701
Energy: 0.5825524444195873
Energy: 0.5056040100892133
Energy: 0.5668517008897521
Energy: 0.5786415850166438
Energy: 0.5447229147327967
Energy: 0.5330403976989081
Energy: 0.5663503551690892
Energy: 0.5275894733321987
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Energy: 0.5819121865077315
Energy: 0.5510243591925413
Energy: 0.5387000495193938
Energy: 0.6285270739635224
Energy: 0.6222065977752351
Energy: 0.5744934821162618
Energy: 0.8598126044813369
Energy: 0.6002617922942084
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Energy: 0.6826506017321202
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Energy: 0.5570801036985261
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Energy: 0.5252800826682903
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Energy: 0.5938175057197143
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Energy: 0.5503127831728314
Energy: 0.5941609415901892
Energy: 0.6653966646257085
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Energy: 0.5829036266194191
Energy: 0.609172485299424
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Energy: 0.6232257344648877
Energy: 0.7526658735745023
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Energy: 0.5557761150093168
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Energy: 0.5458184702120382
Energy: 0.5461933518197651
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Energy: 0.603524257413264
Energy: 0.7907069504938263
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Energy: 0.537273029159214
Energy: 0.5518947060847308
Energy: 0.6072747471265195
Energy: 0.7974669833620138
Energy: 0.7381286306127574
Energy: 0.5377737478738808
Energy: 0.5557299431016978
Energy: 0.6328358852046112
Energy: 0.6230767425644783
Energy: 0.5094503097189889
Energy: 0.5437409031037205
Energy: 0.5501605594167664
Energy: 0.5073004831408137
Energy: 0.6211786479007636
Energy: 0.5848832915651201
Energy: 0.5434359042781849
Energy: 0.7066721820508047
Energy: 0.61217475183731
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Energy: 0.5070159062751334
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Energy: 0.5234526273935532
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Energy: 0.5473320470461043
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minimum gb energy = 0.4851420955716299 eV
minimum distance =  2.54594991575127 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.6183744142448775
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Energy: 0.6019076453600052
Energy: 0.6833329743132969
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Energy: 0.5962256051983168
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Energy: 0.6062890872969202
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Energy: 0.63676284747174
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Energy: 0.6090475522839909
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Energy: 0.6360260642234883
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Energy: 0.6624651053667786
Energy: 0.6363631236621055
Energy: 0.6863558502133297
Energy: 0.6262604562932069
Energy: 0.5711777866456933
Energy: 0.6818634607083954
Energy: 0.6366215777911244
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Energy: 0.6358020075983595
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Energy: 0.6818771040975642
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Energy: 0.6010874771289765
Energy: 0.6633786877915075
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Energy: 0.69338293815435
Energy: 0.9187814689830303
Energy: 0.6430759555474369
Energy: 0.6570540590304772
Energy: 0.6374601681363598
Energy: 0.6933938945339433
Energy: 0.5967793361803242
Energy: 0.63843762685373
Energy: 0.6468400519601042
Energy: 0.6349761786853839
Energy: 0.6346454639784674
Energy: 0.6650919610085777
Energy: 0.636827804521496
Energy: 0.6180756681710106
Energy: 0.6481778312601806
Energy: 0.6358812525340297
Energy: 0.637041696279979
Energy: 0.6314308016138059
Energy: 0.637530581877541
Energy: 0.6454150707488352
Energy: 0.6382406884200488
Energy: 0.6370567438803925
Energy: 0.627973246453043
Energy: 0.6282723013439653
Energy: 0.6620109788321021
Energy: 0.6105744396832775
Energy: 0.6547222410501522
Energy: 0.5858503016913003
Energy: 0.6377951477570812
Energy: 0.6364722935678665
Energy: 0.6106711327375829
Energy: 0.6568454394664347
Energy: 0.6404692534772166
Energy: 0.6358682466373046
Energy: 0.6355579064265091
Energy: 0.6102562105208642
Energy: 0.6751548134716926
Energy: 0.6022851618272039
Energy: 0.6408304254809859
Energy: 0.6390724691202032
Energy: 0.5876265135247986
Energy: 0.6579489824259637
Energy: 0.6023602643319399
Energy: 0.6415132307367201
Energy: 0.6403038913166538
Energy: 0.5912464251849799
Energy: 0.6818368464985081
Energy: 0.6272684136876451
Energy: 0.675187995919902
Energy: 0.7274908650479943
Energy: 0.6978960391333962
Energy: 0.6027075952831301
Energy: 0.624880149562413
Energy: 0.6740298464509876
Energy: 0.7261107660406659
Energy: 0.7049170730417635
Energy: 0.6369672199877479
Energy: 0.6090467912764849
Energy: 0.5993420447604465
Energy: 0.6145057822383698
Energy: 0.6202384199698024
Energy: 0.6202847632775499
Energy: 0.6037401970222037
Energy: 0.6026487015643027
Energy: 0.6318376103847096
Energy: 0.6413911896367764
Energy: 0.6098511608933204
Energy: 0.5976631608511639
Energy: 0.5957472096861735
Energy: 0.5960865261845755
Energy: 0.6137373114483049
Energy: 0.6104859365524105
Energy: 0.6039482907631049
Energy: 0.5916729564738288
Energy: 0.5937534437329647
Energy: 0.6716502443622963

minimum gb energy = 0.5481570942090885 eV
minimum distance =  2.51537509606971 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.7637446475594143
Energy: 0.6461730014236635
Energy: 0.5951796311262075
Energy: 0.6329157046926301
Energy: 0.6377611720219616
Energy: 0.7211243446463288
Energy: 0.632284504163191
Energy: 0.5987656369834189
Energy: 0.6463405647337825
Energy: 0.6394731051060891
Energy: 0.6719716670074342
Energy: 0.590939336697162
Energy: 0.6339264893662017
Energy: 0.6334353831870521
Energy: 0.6429897346229357
Energy: 0.5977026839542964
Energy: 0.604483133194139
Energy: 0.6430709528129339
Energy: 0.6552214779206147
Energy: 0.6754918889393217
Energy: 0.6194807853679043
Energy: 0.7326703320962455
Energy: 0.6649923893620335
Energy: 0.6328799912913302
Energy: 0.6396013765955998
Energy: 0.6314196631344111
Energy: 0.6673658075155895
Energy: 0.6775635103314337
Energy: 0.6579180001502972
Energy: 0.6626468228249427
Energy: 0.6405873001397154
Energy: 0.6342498642294144
Energy: 0.6397610909059296
Energy: 0.6235625281497491
Energy: 0.682593221640296
Energy: 0.6454025505833884
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Energy: 0.6062286597899385
Energy: 0.6239017891052844
Energy: 0.7481166415730777
Energy: 0.6601999716614954
Energy: 0.6261754658239184
Energy: 0.6187158964055353
Energy: 0.5915550656816335
Energy: 0.6208359697970388
Energy: 0.6332773607817982
Energy: 0.625992455261541
Energy: 0.615639375177666
Energy: 0.6148515409707974
Energy: 0.6196660695912785
Energy: 0.6262579406847736
Energy: 0.6259860834401066
Energy: 0.6392010765959645
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Energy: 0.625469095760869
Energy: 0.5933465204998611
Energy: 0.5852212206523439
Energy: 0.6417036181023099
Energy: 0.6317034555664055
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Energy: 0.6871367462722052
Energy: 0.6995142780580713
Energy: 0.5846024941194484
Energy: 0.6379953504113204
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Energy: 0.6476970489923715
Energy: 0.6470300087707423
Energy: 0.6445731776341456
Energy: 0.5617554146857919
Energy: 0.6013331315630605
Energy: 0.6465596477574422
Energy: 0.6475377833489384
Energy: 0.6369371468737712
Energy: 0.6384470651037888
Energy: 0.6009879056914339
Energy: 0.6524870715842574
Energy: 0.6550265076831459
Energy: 0.6475026172123491
Energy: 0.6381752488516805
Energy: 0.5998093027793744
Energy: 0.6476724677977859
Energy: 0.6460777550218225
Energy: 0.6481071452784012
Energy: 0.6539080592757687
Energy: 0.683736901057053
Energy: 0.6019470351590213
Energy: 0.6754237166808597
Energy: 0.7665491772844285
Energy: 0.6853810488767774
Energy: 0.683371536684375
Energy: 0.6195248865102272
Energy: 0.6785236903721553
Energy: 0.7658211654165286
Energy: 0.6631494886277847
Energy: 0.6752874922318947
Energy: 0.6233395683623169
Energy: 0.6193462079710776
Energy: 0.6650111289642392
Energy: 0.6520576178835185
Energy: 0.6454374375250918
Energy: 0.605807500351898
Energy: 0.6246397402534526
Energy: 0.640268622895174
Energy: 0.6972328505766056
Energy: 0.639376313405816
Energy: 0.6185971807554522
Energy: 0.5993683029181618
Energy: 0.5893702432591169
Energy: 0.6145563333288918
Energy: 0.6388264960282851
Energy: 0.6248686629715112
Energy: 0.5950873233179914
Energy: 0.6290437923411017
Energy: 0.6175876344911114
Energy: 0.6465280453050511
Energy: 0.6670246338877958
Energy: 0.5858370394627173
Energy: 0.627718445343119
Energy: 0.6270678548525036
Energy: 0.6262340929186682
Energy: 0.6292301653524084
Energy: 0.5840989744770227
Energy: 0.6297886596961179
Energy: 0.58334564375554
Energy: 0.6546088320865117
Energy: 0.6578363131052314
Energy: 0.6065873030208552
Energy: 0.6245263175207771
Energy: 0.6626692722060562
Energy: 0.6421375123305199
Energy: 0.6472501530752994
Energy: 0.5978378320595383
Energy: 0.6399012593658802

minimum gb energy = 0.5617554146857919 eV
minimum distance =  2.56890620742959 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.671812441396893
Energy: 0.5765195395066942
Energy: 0.6127752328779241
Energy: 0.5823297368281606
Energy: 0.5811418674290666
Energy: 0.5824465939453468
Energy: 0.5717819043566802
Energy: 0.6146672459600836
Energy: 0.5853065568274263
Energy: 0.5908700980791755
Energy: 0.644299788399897
Energy: 0.5831821967417986
Energy: 0.5658494609767074
Energy: 0.5755040694599134
Energy: 0.5662486200859753
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Energy: 0.5819276042630328
Energy: 0.5707895341775431
Energy: 0.5778481694736339
Energy: 0.5907097093323389
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Energy: 0.628598776336617
Energy: 0.6289394684872657
Energy: 0.5881361027044769
Energy: 0.5868404153014148
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Energy: 0.5877959871648627
Energy: 0.5851633474676011
Energy: 0.6119807890780795
Energy: 0.5809715402993024
Energy: 0.5847812982445231
Energy: 0.5800015781303155
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Energy: 0.5902860899947132
Energy: 0.5729530984189043
Energy: 0.576392877870786
Energy: 0.5800942450700607
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Energy: 0.5851935555583955
Energy: 0.592273853875395
Energy: 0.6075194385436794
Energy: 0.5923281966615493
Energy: 0.587711239486776
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Energy: 0.5758623717130941
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Energy: 0.5717024917816333
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Energy: 0.5766066491203132
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Energy: 0.6381509525558123
Energy: 0.5890486958058149
Energy: 0.6184032685373317
Energy: 0.6308621832119921
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Energy: 0.6511469431399716
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Energy: 0.609157116123782
Energy: 0.5709539345582272
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Energy: 0.591644889237747
Energy: 0.6214739571166717
Energy: 0.5919134117835977
Energy: 0.5852625118990562
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Energy: 0.5910138282149326
Energy: 0.5852497300139771
Energy: 0.5964948858491689
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Energy: 0.5889993176544075
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Energy: 0.6225497965066659
Energy: 0.59168476496092
Energy: 0.5577969639881347
Energy: 0.5832554623454224
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Energy: 0.6734822587817748
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Energy: 0.5706360295354587
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Energy: 0.5903435894360234
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Energy: 0.5872218161625314
Energy: 0.6551494531872502
Energy: 0.6106137696514295
Energy: 0.5940636048741127
Energy: 0.619582051248963
Energy: 0.5884420174623892
Energy: 0.5852638687766539
Energy: 0.6337644263660196
Energy: 0.5918116811034935
Energy: 0.6207920984041682
Energy: 0.5883674971791484
Energy: 0.5860463524945142
Energy: 0.573795907427915
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Energy: 0.5882174801686915
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Energy: 0.6154298436224461
Energy: 0.5870897509630476
Energy: 0.5911819944014224
Energy: 0.5920219776316722
Energy: 0.5971760375996392
Energy: 0.5913561686471355
Energy: 0.600767959195457
Energy: 0.5932483428225246
Energy: 0.6387011314680946
Energy: 0.5969155090496722
Energy: 0.591946664058352
Energy: 0.5983634769032438
Energy: 0.5913716064861425
Energy: 0.6385966042099617
Energy: 0.5918341877294493
Energy: 0.6193882459168295
Energy: 0.5589234489419412
Energy: 0.5598409982377544
Energy: 0.5559801250131666
Energy: 0.5909294082909141
Energy: 0.605103787142901
Energy: 0.561080620527203
Energy: 0.5600058520979904
Energy: 0.5599753176331995
Energy: 0.6036756070099453
Energy: 0.6128308569950721
Energy: 0.5529942265362772
Energy: 0.5668526081614745
Energy: 0.5763162863272641
Energy: 0.5979024611365313
Energy: 0.6177799704521278
Energy: 0.5711069551317359
Energy: 0.5656749373569145
Energy: 0.5707457999265786
Energy: 0.5607802346561579
Energy: 0.5908822098279052
Energy: 0.5881596942835595
Energy: 0.5960956121538954
Energy: 0.5500980953544088
Energy: 0.5840404709449352
Energy: 0.5822429958065267
Energy: 0.584294659814402
Energy: 0.5909258741219336
Energy: 0.5614712700008102
Energy: 0.680045147098902
Energy: 0.5712317039893208
Energy: 0.5993496122582301
Energy: 0.5699100439762887
Energy: 0.5885231884225071
Energy: 0.5848376345074843
Energy: 0.5657203799529105
Energy: 0.5917037532176554
Energy: 0.5660421203107756
Energy: 0.5989280340900207

minimum gb energy = 0.5481416536723008 eV
minimum distance =  2.57949357591638 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

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Energy: 0.501259656117462
Energy: 0.5120113851705536
Energy: 0.4903548743013483
Energy: 0.3164996471967264
Energy: 0.31665973210284915
Energy: 0.48656450124639156
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Energy: 0.46473425931235934
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Energy: 0.33247367217337465
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Energy: 0.4767208898986189
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Energy: 0.44909863624410146
Energy: 0.4619731105515311
Energy: 0.5444836780257899
Energy: 0.4312245347557088
Energy: 0.3131790996331286
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Energy: 0.29498793902457066
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Energy: 0.4343674474015755
Energy: 0.2952447841885401
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Energy: 0.5240858770322752
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Energy: 0.45223004036569114
Energy: 0.8614799463571275
Energy: 0.5152016276946999
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Energy: 0.5142083387164601
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Energy: 0.31310345360900393
Energy: 0.47388148559442306
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Energy: 0.5292276891911487
Energy: 0.5083493640373661
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Energy: 0.29660054434249594
Energy: 0.4869252394498635
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Energy: 0.5069211408566338
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Energy: 0.3088548871296529
Energy: 0.4866655640593703
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Energy: 0.5107774749666989
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Energy: 0.29494453240561963
Energy: 0.49122411288778467
Energy: 0.5225134429115998
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Energy: 0.31305178421359714
Energy: 0.5173321644182096
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Energy: 0.4921179746625838
Energy: 0.47836235529229887
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Energy: 0.4719794866385562
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Energy: 0.5280987645034433
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Energy: 0.5236575452059271
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Energy: 0.3113866999973689
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Energy: 0.49220922599990524
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Energy: 0.5123655058700464
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Energy: 0.5239224081492887
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Energy: 0.4827896450927353
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Energy: 0.4301191589940856
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Energy: 0.2992874757748254
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Energy: 0.5206316131131543
Energy: 0.4922942754822487
Energy: 0.31308106930405455
Energy: 0.31307326446795447
Energy: 0.4958629932161563
Energy: 0.5252411365232905
Energy: 0.44443230300087083
Energy: 0.4353625653136276
Energy: 0.308131283234216
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Energy: 0.5328357225905619
Energy: 0.44924834247856327
Energy: 0.44160403997806696
Energy: 0.48022977070267336
Energy: 0.4592706170851275
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Energy: 0.4524838824936194
Energy: 0.3256991452778695
Energy: 0.4718220446854811
Energy: 0.48612049029843
Energy: 0.47550296965957733
Energy: 0.47538013174211025
Energy: 0.311425829781114
Energy: 0.463009909146372
Energy: 0.4883435619989096
Energy: 0.4749541313117136
Energy: 0.33269445130103864
Energy: 0.33584958251043784
Energy: 0.46635267051653484
Energy: 0.5020498027598397
Energy: 0.48482525672876786
Energy: 0.315305618532739
Energy: 0.3187245750484085
Energy: 0.4655052977173088
Energy: 0.5534279443103651
Energy: 0.4951681976723656
Energy: 0.4655942013186212
Energy: 0.4848525407703208
Energy: 0.4890577971365852
Energy: 0.49238540800702324
Energy: 0.4536865507599648
Energy: 0.48136623183358057
Energy: 0.46966306860740176
Energy: 0.48180613178194515
Energy: 0.5394781814831962
Energy: 0.4847128689558728
Energy: 0.39837601279122087
Energy: 0.4681153387863649
Energy: 0.48613649905395484
Energy: 0.5123073860023113
Energy: 0.4428516602948846
Energy: 0.3165966814022034
Energy: 0.46458228425424725
Energy: 0.5091033146018702
Energy: 0.4861731254266531
Energy: 0.3853619925644788

minimum gb energy = 0.27650399460498015 eV
minimum distance =  2.6659419340323 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.6434940980120997
Energy: 0.5266764254414881
Energy: 0.5325899318267634
Energy: 0.5289746674719986
Energy: 0.5351350070460079
Energy: 0.5923371047440879
Energy: 0.5295675419914639
Energy: 0.5309381701982505
Energy: 0.5275537909185105
Energy: 0.5406313484382451
Energy: 0.5410238534813719
Energy: 0.5087567284211644
Energy: 0.5122155923034086
Energy: 0.5124948103047164
Energy: 0.5215301085588481
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Energy: 0.5263560171721452
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Energy: 0.5084644837104056
Energy: 0.5422722743234646
Energy: 0.5360490958024898
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Energy: 0.5254211457911104
Energy: 0.5472947557334108
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Energy: 0.5970792668041596
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Energy: 0.5244764239842244
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Energy: 0.5588399129899844
Energy: 0.5281360049871646
Energy: 0.526646591537812
Energy: 0.5255698650116463
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Energy: 0.5263903100665446
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Energy: 0.5503891234361258
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Energy: 0.5492791547304429
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Energy: 0.5384105192880528
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Energy: 0.5554396417727251
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Energy: 0.5382619509273543
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Energy: 0.5745495182363975
Energy: 0.582521948898283
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Energy: 0.5526879854919001
Energy: 0.5481437361037393
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Energy: 0.5728341091994914
Energy: 0.5439945264489757
Energy: 0.5382356091775469
Energy: 0.5438048713663297
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Energy: 0.5754301407156698
Energy: 0.5372971486470304
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Energy: 0.5571286217927385
Energy: 0.5453360486679044
Energy: 0.5830205914506144
Energy: 0.5372188588167053
Energy: 0.5477562638989906
Energy: 0.5869833760818242
Energy: 0.5759692155302398
Energy: 0.5504041687955384
Energy: 0.5376780264028355
Energy: 0.5375823342766525
Energy: 0.5817886601357514
Energy: 0.5829047454906189
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Energy: 0.549617901954845
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Energy: 0.5346389324870922
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Energy: 0.5273632568409966
Energy: 0.5533644316129307
Energy: 0.5735558418068536
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Energy: 0.5282455873999105
Energy: 0.5296471949828172
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Energy: 0.538202063738732
Energy: 0.5219724751661802
Energy: 0.5262229755343139
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Energy: 0.5284809860809946
Energy: 0.5503412937691129
Energy: 0.5251498405811306
Energy: 0.5598583678817859

minimum gb energy = 0.49971636983037665 eV
minimum distance =  2.49915127408365 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 0.649837688326273
Energy: 0.6247072260724981
Energy: 0.6363597508830152
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Energy: 0.651945780255804
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Energy: 0.630176545388631
Energy: 0.6519802866439431
Energy: 0.6133913548904528
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Energy: 0.5977139067175972
Energy: 0.6300159196738414
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Energy: 0.6521749715794484
Energy: 0.6302669534131197
Energy: 0.6237991496749912
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Energy: 0.6518847200538408
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Energy: 0.6303683954026466
Energy: 0.6535497857720632
Energy: 0.6693066597187874
Energy: 0.671407490138941
Energy: 0.6382829772355737
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Energy: 0.604327429882072
Energy: 0.6474420040106614
Energy: 0.7051357620171662
Energy: 0.639318736253682
Energy: 0.6038588373989976
Energy: 0.6018849798355372
Energy: 0.6470600477660456

minimum gb energy = 0.5866353407554401 eV
minimum distance =  2.57741017105436 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

Energy: 0.9750576686677835
Energy: 0.6999425609792473
Energy: 0.7086341650075656
Energy: 0.679817640118768
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Energy: 0.9573342821838688
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Energy: 0.6616807076135574
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Energy: 0.6781142607041805
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Energy: 0.6935767630190685
Energy: 0.6807503800381931
Energy: 0.7106157944131545
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Energy: 0.6401416755882492
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Energy: 0.7079248910676368
Energy: 0.6531552977762264
Energy: 0.7375027076810166
Energy: 0.6386298279559698
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minimum gb energy = 0.6188078858211856 eV
minimum distance =  2.50412345153999 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.6363585267735399
Energy: 0.6615844246351136
Energy: 0.655822961941387
Energy: 0.6184452926108135
Energy: 0.6551818839213178
Energy: 0.5955044311014163
Energy: 0.6804432699685617
Energy: 0.6189290732342213
Energy: 0.6202234260609037
Energy: 0.6655122981077246
Energy: 0.5957517735208091
Energy: 0.6705399438049354
Energy: 0.6190997920514402
Energy: 0.6191028823401113
Energy: 0.6656295518051397
Energy: 0.6552737688506362
Energy: 0.639264583222406
Energy: 0.6196797740808562
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Energy: 0.6204063676467475
Energy: 0.6983175632552112
Energy: 0.6394450410697952
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Energy: 0.656958824626532
Energy: 0.6401260387049117
Energy: 0.6742015847597327
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Energy: 0.6662905220563747
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Energy: 0.6405312894149768
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Energy: 0.5970027481992277
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Energy: 0.6410032255430836
Energy: 0.6733504339254012
Energy: 0.63330072746096
Energy: 0.7030891377046575
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Energy: 0.6182900960212712
Energy: 0.6380203626329489
Energy: 0.6194461577134813
Energy: 0.6561801528409797
Energy: 0.6196175438284314
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Energy: 0.6376242046879133
Energy: 0.6647451081325974
Energy: 0.6709210713485811
Energy: 0.6201707176789636
Energy: 0.6556594349794503
Energy: 0.6429277282111874
Energy: 0.6429452652976694
Energy: 0.6707780166586387
Energy: 0.619829834845618
Energy: 0.6721630513446011
Energy: 0.6399946263869483
Energy: 0.6955190266914546
Energy: 0.6391309706050496
Energy: 0.6385512147270601
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Energy: 0.7050127613171697
Energy: 0.621227363711275
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Energy: 0.6555396675866185
Energy: 0.639639703069588
Energy: 0.6996885596389558
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Energy: 0.6460411558202946
Energy: 0.6346732590178409
Energy: 0.6400479203343049
Energy: 0.6988102649750991
Energy: 0.6815532343214442
Energy: 0.6467599894923914
Energy: 0.6330948149927041
Energy: 0.6391963938004462
Energy: 0.618153241766014
Energy: 0.667973770897445
Energy: 0.6702022730164277
Energy: 0.6575042668622698
Energy: 0.6391667036155358
Energy: 0.6184128048200803
Energy: 0.6685169684487507
Energy: 0.6365077687798738
Energy: 0.6570949762091441
Energy: 0.6192595523370816
Energy: 0.6724073843332176
Energy: 0.6660082206757306
Energy: 0.595075560437038
Energy: 0.6184766896065719
Energy: 0.6193079877529701
Energy: 0.6738619234381744
Energy: 0.6876067494255831
Energy: 0.5951817387242396
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Energy: 0.6198842862402979
Energy: 0.6390180705368942
Energy: 0.6396618266201357
Energy: 0.6718194990347469
Energy: 0.6221882642730673
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Energy: 0.6384168933708922
Energy: 0.6560823781857336
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Energy: 0.620167871744352
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Energy: 0.6654163954780065
Energy: 0.6689289076004725
Energy: 0.6426839322845315
Energy: 0.6201012563545838
Energy: 0.6175130190406121
Energy: 0.6608779002627119
Energy: 0.6679666809806035
Energy: 0.6423162375838127
Energy: 0.6689615611097206
Energy: 0.6226326442233502
Energy: 0.6368361238543038
Energy: 0.6687703516284774
Energy: 0.5966414175737211
Energy: 0.6946127731188771
Energy: 0.6185097166889075
Energy: 0.6686967627913311
Energy: 0.6188099664192469
Energy: 0.5966297727368414
Energy: 0.6403986293751411
Energy: 0.6202674905900306
Energy: 0.6310712316024399
Energy: 0.6920299286945195
Energy: 0.5961335720450737
Energy: 0.6701784414857723
Energy: 0.6201198663726769
Energy: 0.6390854379014753
Energy: 0.6933482043177666
Energy: 0.5962612270516756
Energy: 0.6552653505872474
Energy: 0.6196200567308113
Energy: 0.6398467692597055
Energy: 0.6932849681471865
Energy: 0.6397534330470998
Energy: 0.6565048775956014
Energy: 0.6194920553814578
Energy: 0.63972839637604
Energy: 0.6955747676319958
Energy: 0.6349952857719974
Energy: 0.6715950743295948
Energy: 0.6466193447316645
Energy: 0.6706247500123655
Energy: 0.6767457573122574
Energy: 0.6789038320976365
Energy: 0.6723320103269603
Energy: 0.6481020281758276
Energy: 0.6708272832034682
Energy: 0.6647479643178759
Energy: 0.6425273006542424
Energy: 0.6558380637478722
Energy: 0.6367673821969311
Energy: 0.6556019255744081
Energy: 0.6333507876050375
Energy: 0.638040192634721
Energy: 0.6355218072231031
Energy: 0.6387834889886699
Energy: 0.7032758346199873
Energy: 0.6571272227759414
Energy: 0.6189526992264718
Energy: 0.6541530964714408
Energy: 0.6406165874638642
Energy: 0.6181067922754158
Energy: 0.6188913886224167
Energy: 0.6741603155257893
Energy: 0.6215539140908252
Energy: 0.6396951248578763
Energy: 0.6179290628105508
Energy: 0.6183001325993128
Energy: 0.6741067466210138
Energy: 0.595400340101599
Energy: 0.6688523142339383
Energy: 0.6189904534394327
Energy: 0.619036440248036
Energy: 0.6386751408095906
Energy: 0.5952721673752305
Energy: 0.6677903977243476
Energy: 0.667159379725758
Energy: 0.6186161518292668
Energy: 0.5977789362485477

minimum gb energy = 0.5947655280600975 eV
minimum distance =  2.5581938952925 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.5606608446710306
Energy: 0.5702912257887002
Energy: 0.6186299934899341
Energy: 0.6641760961375633
Energy: 0.5606533082693087
Energy: 0.5612228435548209
Energy: 0.5708294900373366
Energy: 0.6188684424541915
Energy: 0.6641403053123602
Energy: 0.560931835465973
Energy: 0.5966387350948998
Energy: 0.570208780125082
Energy: 0.5716656376484264
Energy: 0.5707332867635199
Energy: 0.5715467598958404
Energy: 0.5976917773550346
Energy: 0.5705683826437005
Energy: 0.5609860718526667
Energy: 0.6652882833184216
Energy: 0.5704193472015687
Energy: 0.5719304162096924
Energy: 0.6634315567214597
Energy: 0.5701155170233742
Energy: 0.6187908946314551
Energy: 0.5963615731139532
Energy: 0.5717686357034967
Energy: 0.6630956787689778
Energy: 0.5698856329154807
Energy: 0.6189168086091547
Energy: 0.5952175221949424
Energy: 0.6198019965776901
Energy: 0.5609625258225851
Energy: 0.5610014329571901
Energy: 0.5719324781077083
Energy: 0.5953933633763328
Energy: 0.6192285016143017
Energy: 0.5610549605960568
Energy: 0.5609480158721468
Energy: 0.5722398146959268
Energy: 0.5658328037745852
Energy: 0.6639018616948844
Energy: 0.5607739008744932
Energy: 0.5606776493714245
Energy: 0.5961703328327546
Energy: 0.5700950483887489
Energy: 0.6654023847001068
Energy: 0.5609227922204514
Energy: 0.5607696591846812
Energy: 0.5974958207798189
Energy: 0.5710209949265753
Energy: 0.5705233874386417
Energy: 0.6190915689493747
Energy: 0.6642179758204919
Energy: 0.5703413516438739
Energy: 0.5611120075170845
Energy: 0.6637940248797594
Energy: 0.6188413983329872
Energy: 0.6640091826836383
Energy: 0.5703941291331583
Energy: 0.5841200957352629
Energy: 0.569837502466317
Energy: 0.5666612925865646
Energy: 0.5716124201236842
Energy: 0.5699926017397922
Energy: 0.5971125267085552
Energy: 0.5698440725203697
Energy: 0.5656477513802988
Energy: 0.5721543417567712
Energy: 0.5697718221577183
Energy: 0.5976451920705232
Energy: 0.6170383487513887
Energy: 0.5967793405494867
Energy: 0.5696383247250393
Energy: 0.5606291076087243
Energy: 0.5610124643574472
Energy: 0.5692240969506198
Energy: 0.6914702114543022
Energy: 0.569709944067022
Energy: 0.5605236743092695
Energy: 0.5607798115896334
Energy: 0.569851423099691
Energy: 0.5608089641664643
Energy: 0.5706466678077172
Energy: 0.5609621396029507
Energy: 0.5979900507764658
Energy: 0.5700977473454845
Energy: 0.5712484097604367
Energy: 0.5713440035641502
Energy: 0.5609311605791591
Energy: 0.5953602698161407
Energy: 0.570554469848536
Energy: 0.570045403555409
Energy: 0.6913354394731362
Energy: 0.5698247081966294
Energy: 0.6635790886145579
Energy: 0.5703461288889531
Energy: 0.5701932949806751
Energy: 0.6907294621011593
Energy: 0.5701199806576988
Energy: 0.663729917725584
Energy: 0.560942795516185
Energy: 0.5708338325513651
Energy: 0.5708041123146105
Energy: 0.569759379312273
Energy: 0.5956298995935223
Energy: 0.5608877287116786
Energy: 0.5707384298357697
Energy: 0.5656826546573482
Energy: 0.5698747264299991
Energy: 0.5962890225992873
Energy: 0.5607817099443623
Energy: 0.5707195501633594
Energy: 0.6185192398625698
Energy: 0.6640869536659368
Energy: 0.560718444876407
Energy: 0.5613599645065719
Energy: 0.5695354130978134
Energy: 0.6187561486866419
Energy: 0.6641749730325264
Energy: 0.5609078440898024
Energy: 0.5957463483189991
Energy: 0.5701586273021197
Energy: 0.5709789170257675
Energy: 0.5706787221693629
Energy: 0.5711574299052267
Energy: 0.5968116075830284
Energy: 0.5704878302756548
Energy: 0.5609720651049828
Energy: 0.6655121624206722
Energy: 0.5708464717225621
Energy: 0.5706227748855
Energy: 0.6638116979114893
Energy: 0.5701763206058458
Energy: 0.6186115493373067
Energy: 0.596057652071793
Energy: 0.5720010263809893
Energy: 0.6635154507940738
Energy: 0.5699619563238899
Energy: 0.6191153442858685
Energy: 0.5954307797859076
Energy: 0.6197619054672868
Energy: 0.5609278024072485
Energy: 0.5610056770665445
Energy: 0.5717437956719721
Energy: 0.5955511341646524
Energy: 0.6193493667529579
Energy: 0.5610756533574702
Energy: 0.561056236690655
Energy: 0.572066364391237
Energy: 0.5967785435389835
Energy: 0.6642524244934251
Energy: 0.5608062560977133
Energy: 0.5606776418646253
Energy: 0.5980047898143238
Energy: 0.5701828651356625
Energy: 0.6646723511509094
Energy: 0.5609796716219658
Energy: 0.5607452626184379
Energy: 0.571378195461045
Energy: 0.5708432472507792
Energy: 0.5699876934046717
Energy: 0.6193305986986614
Energy: 0.6640379260054706
Energy: 0.5713694785403698
Energy: 0.5609907838529065
Energy: 0.6636269635355799
Energy: 0.6189920120686176
Energy: 0.6640300340273755
Energy: 0.570299065661303
Energy: 0.5618370304009672
Energy: 0.5695108091651764
Energy: 0.5666705124398964
Energy: 0.5715836069150608
Energy: 0.5700009227838919
Energy: 0.5968847205882514
Energy: 0.5697070976850223
Energy: 0.565655592318321
Energy: 0.56970347185046
Energy: 0.5699406501154329
Energy: 0.5956736524752013
Energy: 0.6151094679550521
Energy: 0.5968437595752221
Energy: 0.5697717091767174
Energy: 0.5605966213312147
Energy: 0.5609176281363707
Energy: 0.5691849345513977
Energy: 0.5963587709766135
Energy: 0.5697357025173362
Energy: 0.5606549125305061
Energy: 0.5608312492680807
Energy: 0.5697837646079273
Energy: 0.5608398551911213
Energy: 0.5707889691878676
Energy: 0.5609566713738321
Energy: 0.597972798617784
Energy: 0.5701998026328102
Energy: 0.5709780328355518
Energy: 0.5713788373332722
Energy: 0.5609951448099751
Energy: 0.5699309409662634
Energy: 0.5706744262709715
Energy: 0.5701115268055421
Energy: 0.6918867538561247
Energy: 0.5700531502032934
Energy: 0.6639977137546712
Energy: 0.5703348098277807
Energy: 0.5701368969422639
Energy: 0.6907035670873637
Energy: 0.5701081591639148
Energy: 0.6637036419422243
Energy: 0.5609417407821355
Energy: 0.5704513962241177
Energy: 0.5708174601796251
Energy: 0.6189119077311724
Energy: 0.5955284207478043
Energy: 0.5609302911619717
Energy: 0.5704945702340736
Energy: 0.5656089916096289
Energy: 0.5698639377061621
Energy: 0.5960654500937173

minimum gb energy = 0.5605236743092695 eV
minimum distance =  2.58165112636822 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 1.0886282991352418
Energy: 0.6189918547713799
Energy: 0.6328007239967612
Energy: 0.6643387629020066
Energy: 0.6344782766751501
Energy: 0.6535114013646363
Energy: 0.5994206314256497
Energy: 0.671090184897878
Energy: 0.6666467351547056
Energy: 0.5980502012031121
Energy: 0.604334994097095
Energy: 0.6348476408679605
Energy: 0.6437300288079757
Energy: 0.63904657232078
Energy: 0.6517379406493207
Energy: 0.5986752941785525
Energy: 0.6601028761914818
Energy: 0.6439286971753875
Energy: 0.6507438462439968
Energy: 0.6277227102349131
Energy: 0.6637645770428959
Energy: 0.6827920137450937
Energy: 0.6017328599979229
Energy: 0.6337349969591388
Energy: 0.6751758131543987
Energy: 0.6665117097103961
Energy: 0.6777414663762655
Energy: 0.6023714363650254
Energy: 0.6303933293464526
Energy: 0.6770396173585549
Energy: 0.6723337969382029
Energy: 0.640246517662764
Energy: 0.6193814329661436
Energy: 0.6724349898676074
Energy: 0.6816072062248174
Energy: 0.608955074990582
Energy: 0.6404310103065921
Energy: 0.7132139491062339
Energy: 0.6643713807744485
Energy: 0.6720725017681279
Energy: 0.6061599238465638
Energy: 0.6023137811433373
Energy: 0.6340146096475207
Energy: 0.6065216225849702
Energy: 0.597181472363944
Energy: 0.6064840998680107
Energy: 0.5977600260085423
Energy: 0.6152200578629741
Energy: 0.6041379735653266
Energy: 0.5966739879528863
Energy: 0.684261692598753
Energy: 0.6021690250169589
Energy: 0.6038109809683104
Energy: 0.662300451072209
Energy: 0.7165417976756301
Energy: 0.672139382125699
Energy: 0.6024342730246822
Energy: 0.6058462572839545
Energy: 0.6723331040461494
Energy: 0.7161715721669305
Energy: 0.6043994217950011
Energy: 0.6025495636828059
Energy: 0.6365169146248807
Energy: 0.6258536131758092
Energy: 0.648254647406455
Energy: 0.6056421570536896
Energy: 0.6026382882333929
Energy: 0.6312689427330272
Energy: 0.6386221424700461
Energy: 0.6346543347585099
Energy: 0.6055717637209592
Energy: 0.603922976439951
Energy: 0.6260487088090881
Energy: 0.6203176721713576
Energy: 0.6372647209497231
Energy: 0.6104267121769432
Energy: 0.602243168211433
Energy: 0.6260988060378774
Energy: 0.6311365072228643
Energy: 0.6258377254781838
Energy: 0.5986603502615419
Energy: 0.7151824516858549
Energy: 0.6946059175230369
Energy: 0.5984278809873202
Energy: 0.6039825880126617
Energy: 0.5990768685833702
Energy: 0.6988462023365718
Energy: 0.6213887901389079
Energy: 0.5984195885623118
Energy: 0.6025368459424584
Energy: 0.6646139847600662
Energy: 0.6580328895733637
Energy: 0.6007289131115466
Energy: 0.6157018940372115
Energy: 0.6396137847203115
Energy: 0.6289301615042715
Energy: 0.6525262237255369
Energy: 0.6006448268321659
Energy: 0.616002075445362
Energy: 0.6058498979634693
Energy: 0.6325546946269469
Energy: 0.6748035360984133
Energy: 0.6065201534669581
Energy: 0.6186029994834045
Energy: 0.6027698462823996
Energy: 0.6339474169070651
Energy: 0.6420015718784715
Energy: 0.6216771415014122
Energy: 0.6184974994891784
Energy: 0.6007894495126248
Energy: 0.706136464813113
Energy: 0.6250760269886246
Energy: 0.6057218757780218
Energy: 0.599116523605521
Energy: 0.625425333744812
Energy: 0.706575938575651
Energy: 0.634230742044181
Energy: 0.6004249000100097
Energy: 0.5990725823074161
Energy: 0.6250241348175153
Energy: 0.6716011664058626
Energy: 0.6050443020383085
Energy: 0.602580312537964
Energy: 0.6052794254533307
Energy: 0.6521191804582142
Energy: 0.6721227455394292
Energy: 0.6035318859798543
Energy: 0.6010689207070262
Energy: 0.6212433676760672
Energy: 0.6831322614877631
Energy: 0.641084971294807
Energy: 0.6343735048000819
Energy: 0.5987806710778353
Energy: 0.6852741431949684
Energy: 0.6330962013986962
Energy: 0.6415499249134261
Energy: 0.6440327803189744
Energy: 0.596259189794337
Energy: 0.6872382411681551
Energy: 0.6335276064926315
Energy: 0.6005340309602596
Energy: 0.6424121521741283
Energy: 0.5984908162845973
Energy: 0.6082460045299422
Energy: 0.6172261136097067
Energy: 0.624395931970424
Energy: 0.6837357371148431
Energy: 0.6070418452671167
Energy: 0.6085624879742193
Energy: 0.6244566398738068
Energy: 0.690162186799164
Energy: 0.708520754572822
Energy: 0.6850425955207109
Energy: 0.714891998640426
Energy: 0.599507886279554
Energy: 0.6840044561015468
Energy: 0.6859073055562706
Energy: 0.6853819715246774
Energy: 0.6666117295253552
Energy: 0.5960900927159849
Energy: 0.5954418414239667
Energy: 0.6195407267407608
Energy: 0.6607005591304317
Energy: 0.6323910566865254
Energy: 0.6494033215176969
Energy: 0.5956804996068717
Energy: 0.6092541382749455
Energy: 0.6701492574091786
Energy: 0.6347832222350926
Energy: 0.6492079425013372
Energy: 0.7088676415194692
Energy: 0.7064374963086903
Energy: 0.687199315799416
Energy: 0.6294761239911927
Energy: 0.6058438474593123
Energy: 0.645468728454292
Energy: 0.6884366036297381
Energy: 0.6886420258679979
Energy: 0.6037998891927256
Energy: 0.6055131654990554
Energy: 0.644760407775703
Energy: 0.6580842223376434
Energy: 0.6251251028803015
Energy: 0.6035399669148729
Energy: 0.6037736311153133
Energy: 0.648533573969962
Energy: 0.6610183165028986
Energy: 0.6224076203146833
Energy: 0.6090195838434398
Energy: 0.6038539094169043
Energy: 0.637614762362079
Energy: 0.6180367644381912
Energy: 0.707269832348697
Energy: 0.6041038086842277
Energy: 0.6037915793673293
Energy: 0.6011120184674452
Energy: 0.6291542620918332
Energy: 0.7073380947379538
Energy: 0.6042515747920143
Energy: 0.603742380534586
Energy: 0.6635258066847933
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Energy: 0.6058815229099402
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Energy: 0.6005674016326094
Energy: 0.6019666437328025
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Energy: 0.673633207704255
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Energy: 0.7067109657919063
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Energy: 0.6601464777305047
Energy: 0.6256926438571905
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Energy: 0.6265099045829985
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Energy: 0.609223871589941
Energy: 0.6290914524811785
Energy: 0.634143272497615
Energy: 0.6282960269479029
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Energy: 0.6632100770248386
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Energy: 0.5988999635208768
Energy: 0.6808211750808046
Energy: 0.6931120438712666
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Energy: 0.6646981713336578
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Energy: 0.5954456550667583
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Energy: 0.6472113331146222
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Energy: 0.6844141019197404
Energy: 0.6869154010458993
Energy: 0.6419794100707894
Energy: 0.6056629616803232
Energy: 0.6840209442790104
Energy: 0.6850600122855237
Energy: 0.687628162658308
Energy: 0.6456445034612112
Energy: 0.6022494995192705
Energy: 0.6842855477756485
Energy: 0.6219548886368902
Energy: 0.6114447926368171
Energy: 0.6018751090045865
Energy: 0.6025069883975195
Energy: 0.6434266765110705
Energy: 0.6218849110274624
Energy: 0.6073138105447975
Energy: 0.601829259275278
Energy: 0.609192232808552
Energy: 0.6020428440816609
Energy: 0.616950630018217
Energy: 0.6647133172603062
Energy: 0.6035527056409107
Energy: 0.6027202004264938
Energy: 0.6017509967059282
Energy: 0.6094921505987706
Energy: 0.626599162321529
Energy: 0.6035895368953391
Energy: 0.6028669702413778
Energy: 0.6897400221844617
Energy: 0.6239395638159722
Energy: 0.608143422929337
Energy: 0.6421647945323323
Energy: 0.6331862736963563
Energy: 0.6467577081617236
Energy: 0.6241652071861313
Energy: 0.6045396417539789
Energy: 0.6743227442153558
Energy: 0.641287540293768
Energy: 0.6038726349091176
Energy: 0.6036679805697128
Energy: 0.6072497302806731
Energy: 0.6852275332429492
Energy: 0.5980921002215104
Energy: 0.5980338883737599
Energy: 0.5979208423266685
Energy: 0.6599512646347817
Energy: 0.7176172817420123
Energy: 0.5983313733495762
Energy: 0.6038795800850385
Energy: 0.6078639265653791
Energy: 0.6051729171458444
Energy: 0.603769970523845
Energy: 0.6358375283074761
Energy: 0.6122687466605143
Energy: 0.6155923936979728
Energy: 0.6804457109682861
Energy: 0.6043736986427783
Energy: 0.6279132977500078
Energy: 0.6191565850666857
Energy: 0.5977989892433746
Energy: 0.7114678853327725
Energy: 0.7060333639124501
Energy: 0.6422546748532548
Energy: 0.6107100005493905
Energy: 0.5979243802715822
Energy: 0.7096404739649149
Energy: 0.650450410543399
Energy: 0.6102762411376643
Energy: 0.6726207399865439
Energy: 0.6886833517878714
Energy: 0.6025364339880994
Energy: 0.6566663338485984
Energy: 0.5954519778225306
Energy: 0.6584004242964331
Energy: 0.663761477304332
Energy: 0.6135896143189782
Energy: 0.6125430258745652
Energy: 0.607277100335347

minimum gb energy = 0.5954418414239667 eV
minimum distance =  2.52431176925535 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.8074667269981147
Energy: 0.5751667267417142
Energy: 0.6478172601868453
Energy: 0.6415684309252104
Energy: 0.5829752167643772
Energy: 0.8080100150962712
Energy: 0.6359732506454046
Energy: 0.6377695968486524
Energy: 0.571386723740243
Energy: 0.6884653747265769
Energy: 0.5696633712341845
Energy: 0.678300509839129
Energy: 0.6755328505773897
Energy: 0.675800142164898
Energy: 0.679636744392953
Energy: 0.5683031311677516
Energy: 0.687771678437879
Energy: 0.6755310485825536
Energy: 0.6393877849462444
Energy: 0.6292832381268524
Energy: 0.6301488162627311
Energy: 0.6256826183542655
Energy: 0.7504941481768613
Energy: 0.6142781112195883
Energy: 0.6204886846609795
Energy: 0.6308105508168397
Energy: 0.6257849179455512
Energy: 0.7506673176259043
Energy: 0.6135928813967945
Energy: 0.6231408841834616
Energy: 0.6124800292260796
Energy: 0.5798241051603484
Energy: 0.7360174860114581
Energy: 0.5694059765144591
Energy: 0.6178354383833842
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Energy: 0.5699748139046834
Energy: 0.6729259113060246
Energy: 0.5680478810454266
Energy: 0.6177487988802853
Energy: 0.6332188523589479
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Energy: 0.610218937686525
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Energy: 0.7441454691058704
Energy: 0.6100738591612933
Energy: 0.607430660564583
Energy: 0.6317212574896793
Energy: 0.6439621331968619
Energy: 0.6345963513022085
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Energy: 0.6333603028044601
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Energy: 0.808971343044611
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Energy: 0.6334404116264194
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Energy: 0.6288756935748816
Energy: 0.6235697024560625
Energy: 0.6207251338957926
Energy: 0.6321572218110638
Energy: 0.6224259034332892
Energy: 0.6091178372893624
Energy: 0.6234048048068627
Energy: 0.6270694120083079
Energy: 0.568802715874062
Energy: 0.6082550459838916
Energy: 0.743300279444063
Energy: 0.7439393376048141
Energy: 0.6271773293844858
Energy: 0.6333105368783309
Energy: 0.6087149526122141
Energy: 0.743496032055762
Energy: 0.6891374734046474
Energy: 0.578824699232446
Energy: 0.7434690608683997
Energy: 0.5760743944532759
Energy: 0.7481832022914628
Energy: 0.6139338738351656
Energy: 0.5776769727057469
Energy: 0.767643010678273
Energy: 0.5752982632702571
Energy: 0.7550299407302066
Energy: 0.6118464329820955
Energy: 0.6176282339904773
Energy: 0.6378201752450905
Energy: 0.5703729536923404
Energy: 0.5646533852699614
Energy: 0.7544018202291908
Energy: 0.5667145990793345
Energy: 0.6083631698446192
Energy: 0.572248085974342
Energy: 0.5644918278927484
Energy: 0.680367123236324
Energy: 0.5692007773376323
Energy: 0.5679264445076985
Energy: 0.5672416161250798
Energy: 0.8128534915464871
Energy: 0.5718667686622181
Energy: 0.5685649026398215
Energy: 0.5677925544155105
Energy: 0.5682134360039197
Energy: 0.813217608976265
Energy: 0.6131807639199083
Energy: 0.5732986978407965
Energy: 0.5751913069180401
Energy: 0.5721583522975344
Energy: 0.655292448728217
Energy: 0.5711746012604805
Energy: 0.5727116292150904
Energy: 0.5741108260029887
Energy: 0.5737148475428047
Energy: 0.6873599874773918
Energy: 0.5714183093316448
Energy: 0.5694030528874068
Energy: 0.5703034964529204
Energy: 0.6383397013723081
Energy: 0.7570108124035052
Energy: 0.6267715672682646
Energy: 0.5699342216052582
Energy: 0.570680445009695
Energy: 0.7437913226995061
Energy: 0.6391828875808344
Energy: 0.6273177003309488
Energy: 0.672246146787035
Energy: 0.5712718086957266
Energy: 0.7394903423268198
Energy: 0.5725173475964305
Energy: 0.5812637975942992
Energy: 0.6726305058270913
Energy: 0.5762187746704047
Energy: 0.7395289228765085
Energy: 0.5720851156285672
Energy: 0.6420330762859607

minimum gb energy = 0.5644918278927484 eV
minimum distance =  2.6086859508525 Angstroms
sigma value = 33