Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlNi__MO_461927113651_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.521391749382019
cohesive_energy=4.450350014731871
mass=58.6934
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=[1.9905923153806198e-19, 2.8384161247944e-19, 3.48808272811506e-19, 4.0176822144837597e-19, 4.463071296969419e-19, 4.84454955352482e-19, 5.175094614885359e-19, 5.463566517837059e-19, 5.716566230112e-19, 5.93896436867754e-19, 6.134558092156259e-19, 6.30637551438642e-19, 6.456932052683399e-19, 6.588246449606038e-19, 6.702097121218079e-19, 6.799926026490119e-19, 6.883014906729359e-19, 6.95245324204692e-19, 7.009234381955879e-19, 7.0541754365395795e-19, 7.088061472348679e-19, 7.11153336003678e-19, 7.125231970257479e-19, 7.1296860213e-19, 7.12491153493068e-19, 7.1094985957116e-19, 7.08162072228e-19, 7.03906691088096e-19, 6.979273678900079e-19, 6.89911678190106e-19, 6.794895191859359e-19, 6.662122814199779e-19, 6.4953842918994e-19, 6.288062635459799e-19, 6.032050831112939e-19, 5.71731925312998e-19, 5.331386945532059e-19, 4.85855257730598e-19, 4.2789812017228195e-19, 3.56721423206832e-19, 2.6902948949810996e-19, 1.6049804431094998e-19, 2.5378798317886796e-20, -1.4412588194109418e-19, -3.5915512951387797e-19, -6.36894051194412e-19, -1.005383461777974e-18, -1.51311163491594e-18, -2.2496162117994e-18, -3.3929935448871597e-18, -5.3287433540859595e-18, -8.97712385443272e-18, -1.67919326479638e-17, -3.6084061933284595e-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: 0.020466031027966874
Energy: 0.026427224875711124
Energy: 0.846922059877312
Energy: 0.8468697538377038
Energy: 0.025582302667968345
Energy: 0.02232661419247874
Energy: 0.17379272391974637
Energy: 0.8469489008805714
Energy: 0.17439857392535332
Energy: 0.02447572635644176
Energy: 0.02092928227264687
Energy: 0.1739532448580077
Energy: 0.17415281821761486
Energy: 0.8495446959416053
Energy: 0.17557694015894793
Energy: 0.17415165500186622
Energy: 0.1740112853516391
Energy: 0.17398432776232126
Energy: 0.8462632802515637
Energy: 0.1759837385300556
Energy: 0.17411422356613915
Energy: 0.024800436773898104
Energy: 0.020969186735406414
Energy: 0.1752850551023846
Energy: 0.8501628164981279
Energy: 0.17388576405386486
Energy: 0.02374109616752352
Energy: 0.020942606538405076
Energy: 0.17493461498227547
Energy: 0.8475273548500706
Energy: 0.8505905784849772
Energy: 0.022395315225549606
Energy: 0.022036344694688372
Energy: 0.17366837730980217
Energy: 0.8507168711070007
Energy: 0.8504120765716277
Energy: 0.021924241424915315
Energy: 0.021231671576432642
Energy: 0.17277931549597456
Energy: 0.8502787231126203
Energy: 0.8508407773119496
Energy: 0.1741844191834377
Energy: 0.1745240378886181
Energy: 0.02243431992071163
Energy: 0.021893293922730803
Energy: 0.8538674167636829
Energy: 0.17481301714187708
Energy: 0.17460096785316073
Energy: 0.02355847159928265
Energy: 0.17270165517864958
Energy: 0.1739264801058371
Energy: 0.8514475470798387
Energy: 0.17530072591463744
Energy: 0.02156589699007417
Energy: 0.021036414808227533
Energy: 0.17383413485909568
Energy: 0.8497492892934548
Energy: 0.1758582674709746
Energy: 0.021979221979236102
Energy: 0.020976436292143543
Energy: 0.020851722455524465
Energy: 0.17496425951922673
Energy: 0.8498443442279628
Energy: 0.17591182391503637
Energy: 0.1751998174854268
Energy: 0.020948642788433915
Energy: 0.17494634798868078
Energy: 0.8497804469459702
Energy: 0.17559549127064272
Energy: 0.1755118089390995

minimum gb energy = 0.020466031027966874 eV
minimum distance =  2.45817102151256 Angstroms
sigma value = 3


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

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Energy: 1.5530969193820912
Energy: 1.4215960266748209
Energy: 1.4181471924457891
Energy: 1.6338437934021102
Energy: 1.5186298738534258
Energy: 1.6421023946195625
Energy: 1.4143165349122384
Energy: 1.415664953749302
Energy: 1.5568707260788506
Energy: 1.3548622797344805
Energy: 1.5577529044087144
Energy: 1.469649800957002
Energy: 1.353526610751517
Energy: 1.2747655784467236
Energy: 1.2845706057837831
Energy: 1.5220337091636826
Energy: 1.4160025964165082
Energy: 1.3798177372964056
Energy: 1.4722978411899392
Energy: 1.4489043548412914
Energy: 1.5065403939689435
Energy: 2.022380049029123
Energy: 1.4513772137160137
Energy: 1.4484341564802474
Energy: 1.2543202383746903
Energy: 1.597318146024372
Energy: 2.0229100313106896
Energy: 1.4697296654643373
Energy: 1.4293817733072436
Energy: 1.4473858174697998
Energy: 1.421535148586269
Energy: 1.5640178178670558
Energy: 1.2533234534781974
Energy: 1.4500269022309658
Energy: 1.2565093609779683
Energy: 1.4305699638026337
Energy: 1.4073223937603594
Energy: 1.3420403047858258
Energy: 1.4308731791881533
Energy: 1.4873225262357042
Energy: 1.663541398683919
Energy: 1.5539045727164347
Energy: 1.6310292942383913
Energy: 1.416593778024228
Energy: 1.5147499397827875
Energy: 1.5363370690204912
Energy: 1.680966773430202
Energy: 1.6350821854353288
Energy: 1.3454650128814265
Energy: 1.4937982895088309
Energy: 1.6699050802749453
Energy: 1.497725783406316
Energy: 1.4740950251281568
Energy: 1.68798632031147
Energy: 1.4696626870444711
Energy: 1.6772756076558875
Energy: 1.483559060798106
Energy: 1.6278033751060894
Energy: 1.682916188426326
Energy: 1.4360474496214348
Energy: 1.6877132598112017
Energy: 1.6820978348340807
Energy: 1.370087041326838
Energy: 1.434082714922979
Energy: 1.5369884488945509
Energy: 1.693671579095661
Energy: 1.6295997141649663
Energy: 1.4853168031489212
Energy: 1.4377769689282758
Energy: 1.4336367854704823
Energy: 1.5218080985935656
Energy: 1.7303712527333517
Energy: 1.5859171571976038
Energy: 1.4532988279662398
Energy: 1.4307541360481222
Energy: 1.4858276734014075
Energy: 1.5752734355573013
Energy: 1.5854387931871683
Energy: 1.4341647484494193
Energy: 1.4321239085014446
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Energy: 1.3656227103110297
Energy: 1.6759749959011592
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Energy: 1.4380976570379014
Energy: 1.3785395349831862
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Energy: 1.49810863834788
Energy: 1.5949570608275152
Energy: 1.467096495109512
Energy: 1.318885522847448
Energy: 1.408119178842565
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Energy: 1.3946201303139993
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Energy: 1.3668718559016446
Energy: 1.7370111943386826
Energy: 1.6223769457079638
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Energy: 1.3311476169931906
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Energy: 1.634263403286447
Energy: 1.6697953097977594
Energy: 1.5569735806017249
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Energy: 1.5359961154687416
Energy: 1.4180219533706604
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Energy: 1.6150370550611448
Energy: 1.6625214819774792
Energy: 1.6173345284914167
Energy: 1.4146660738974344
Energy: 1.4341697360269932
Energy: 1.4532345631427652
Energy: 1.545295962779574
Energy: 1.6028900634743515
Energy: 1.3065193653138212
Energy: 1.4433814264034492
Energy: 1.4330214960764982
Energy: 1.5294536339852156
Energy: 1.552126569981187
Energy: 1.6143383449375865
Energy: 1.5734967604208618
Energy: 1.4347657575138124
Energy: 1.4317869868190323
Energy: 1.6486303703295788
Energy: 1.5233763292798899
Energy: 1.5904507423760048
Energy: 1.4308334672570395
Energy: 1.4306068043008382
Energy: 1.4503881036773019
Energy: 1.3931486281142043
Energy: 1.6078801320433007
Energy: 1.492737148340085
Energy: 1.3717158172684045
Energy: 1.2838972422610226
Energy: 1.6227656778759714
Energy: 1.6928160939609027
Energy: 1.4970525142115683
Energy: 1.385104967005499
Energy: 1.4191724748887042
Energy: 1.4062546751763647
Energy: 1.4041491722448376
Energy: 1.5801456864261987
Energy: 1.461460927324174
Energy: 1.4564562466138766
Energy: 1.2618520836179064
Energy: 1.403388102991902
Energy: 1.5294319844515645
Energy: 1.485278910592802
Energy: 1.4715245000226431
Energy: 1.4803196724194523
Energy: 1.3310371962700296
Energy: 1.6371323770390718
Energy: 1.2599036316629835
Energy: 1.3049024041184396
Energy: 1.3338322962710516
Energy: 1.3212406049893726
Energy: 1.4723412580144015
Energy: 1.4048752530761106
Energy: 1.3045553428090555
Energy: 1.4876320519323925
Energy: 1.6446445028144607
Energy: 1.5628426790514987
Energy: 1.6307270798341196
Energy: 1.2752667799031758
Energy: 1.514138481491119
Energy: 1.6718938746294685
Energy: 1.6922299344952783
Energy: 1.6319774028170178
Energy: 1.282359982962294
Energy: 1.4715706137994606
Energy: 1.661273007361729
Energy: 1.4826850473864606
Energy: 1.472152169825042
Energy: 1.6918553584975125
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Energy: 1.665977005534354
Energy: 1.4885898845014767
Energy: 1.4101900911396281
Energy: 1.6856586137213059
Energy: 1.5413427890697424
Energy: 1.6916000477078315
Energy: 1.6532641506318264
Energy: 1.3451988398575871
Energy: 1.4452150560458892
Energy: 1.5441480586167287
Energy: 1.6153342780012356
Energy: 1.6508205242490595
Energy: 1.3423983970456184
Energy: 1.4371581460109768
Energy: 1.4314657793158918
Energy: 1.496696013906304
Energy: 1.7294985051413283
Energy: 1.7158468943026908
Energy: 1.4347853095054728
Energy: 1.4326898983374217
Energy: 1.496997757785554
Energy: 1.693093225582284
Energy: 1.7264934996878574
Energy: 1.4344775432189223
Energy: 1.438497716657454
Energy: 1.3754595020480938
Energy: 1.4526270602198896
Energy: 1.6478848361695217
Energy: 1.604999162794046
Energy: 1.4396642333173468
Energy: 1.3741458631095531
Energy: 1.353137684447113
Energy: 1.6773250946763116
Energy: 1.4950446915592974
Energy: 1.3955832261492507
Energy: 1.4712436923142371
Energy: 1.341337516593961
Energy: 1.5085826034880463
Energy: 1.641853211473219
Energy: 1.3921749726540087
Energy: 1.4708816780592107
Energy: 1.320774767345856
Energy: 1.2903454583995233
Energy: 1.6159657840998756
Energy: 1.6275055695513738
Energy: 1.3296871038001832
Energy: 1.4688012053426591
Energy: 1.3244239956144073
Energy: 1.6177300604561053
Energy: 1.623340527558286
Energy: 1.3381279814111957
Energy: 1.4880290379273224
Energy: 1.3392732399390688
Energy: 1.6386743595730873
Energy: 1.619580287636308
Energy: 1.4906603412582535
Energy: 1.492069006827554
Energy: 1.5712506144487661
Energy: 1.6212379248261666
Energy: 1.4992424379616796
Energy: 1.2614241314120729
Energy: 1.4746250307064357
Energy: 1.5146919809997996
Energy: 1.4957191939114027
Energy: 1.604372778661625
Energy: 1.4075987614711925
Energy: 1.6889838270617918
Energy: 1.6654872859641137
Energy: 1.6131871137801745
Energy: 1.411265054527617
Energy: 1.6117663005937928
Energy: 1.5055765842374826
Energy: 1.6607290186636432
Energy: 1.573640903291158
Energy: 1.494582940130996
Energy: 1.4767689150121974
Energy: 1.4336656852556606
Energy: 1.5319637782142952
Energy: 1.5641445035684953
Energy: 1.2846184815441246
Energy: 1.4220930198995463
Energy: 1.4160515462633052
Energy: 1.5160053228031183
Energy: 1.6167226985120349
Energy: 1.6627776031412766
Energy: 1.558384777534409
Energy: 1.432030332859065
Energy: 1.415692847200819
Energy: 1.6672259255244621
Energy: 1.5246053234053154
Energy: 1.6038283097744443
Energy: 1.4212974675289514
Energy: 1.4145457461205797
Energy: 1.5550122037132736

minimum gb energy = 1.2533234534781974 eV
minimum distance =  2.2037383572353 Angstroms
sigma value = 75


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

Energy: 2.1449179697405025
Energy: 1.3531988440409195
Energy: 1.3720995622653767
Energy: 1.616074380445246
Energy: 1.384196920668458
Energy: 1.994043521592474
Energy: 1.388300390188285
Energy: 1.582835749424909
Energy: 1.6387362158555336
Energy: 1.3330530179908744
Energy: 1.5583635402519493
Energy: 1.5485947171863659
Energy: 1.3870825888752365
Energy: 1.4051619628324181
Energy: 1.3866614980350824
Energy: 1.8896795680464031
Energy: 1.3679843559931104
Energy: 1.4624363914534215
Energy: 1.4820276241526746
Energy: 1.4459576168957744
Energy: 1.6223157206563028
Energy: 1.647309468250848
Energy: 1.6469459670956068
Energy: 1.403570436685567
Energy: 1.4552785905504668
Energy: 1.3799562571869037
Energy: 1.6469759542963724
Energy: 1.6468905252819346
Energy: 1.479737568644741
Energy: 1.438462034986074
Energy: 1.3966941983759757
Energy: 1.5042301235689992
Energy: 1.489059678873227
Energy: 1.4595351629900142
Energy: 1.4250362206565212
Energy: 1.4111330456152489
Energy: 1.4475872293774346
Energy: 1.4203155287174394
Energy: 1.4787193517115707
Energy: 1.425532208154269
Energy: 1.4680839602953402
Energy: 1.4651188386908394
Energy: 1.4659416612703682
Energy: 1.6686391884266691
Energy: 1.3718118958161922
Energy: 1.3730765537878475
Energy: 1.4431972390071517
Energy: 1.4737811999119566
Energy: 1.6168170904145964
Energy: 1.3986551306641635
Energy: 1.3839960068862485
Energy: 1.7001976405867545
Energy: 1.4220635629707272
Energy: 1.398847222038967
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Energy: 1.3872478162543844
Energy: 1.6930582352834385
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Energy: 1.7802720826712848
Energy: 1.4417525867157523
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Energy: 1.3758366026193267
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Energy: 1.6701939043034724
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Energy: 1.451730091057172
Energy: 1.4191561353701097
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Energy: 1.4377738207793556
Energy: 1.427916097305627
Energy: 1.4249167062907622
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Energy: 1.646872856736847
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Energy: 1.4773849505828176
Energy: 1.4163769773877293
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Energy: 1.4735734403682388
Energy: 1.4901760289470742
Energy: 1.41477225179712
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Energy: 1.4522202023464004
Energy: 1.4896457185956533
Energy: 1.6193954466140015
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Energy: 1.7216126222598946
Energy: 1.3881603023290463
Energy: 1.4681158778629797
Energy: 1.6198607789244646
Energy: 1.4331355234462253
Energy: 1.7250615686742714
Energy: 1.3863977795652986
Energy: 1.6734775978710923
Energy: 1.653151036151189
Energy: 1.4165141072223721
Energy: 1.4574980852950183
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Energy: 1.476825068165195
Energy: 1.6528760041229162
Energy: 1.4221999529659166
Energy: 1.4582702809523884
Energy: 1.7225439054766496
Energy: 1.4239205062771252
Energy: 1.4512150228184313
Energy: 1.4597022865646132
Energy: 1.4488917561917123
Energy: 1.4482553862928698
Energy: 1.647644724193011
Energy: 1.447066484842584
Energy: 1.4270868967621044
Energy: 1.4609008271713277
Energy: 1.4228724226388656
Energy: 1.649311737167055
Energy: 1.4916835683123268
Energy: 1.4246057304572817
Energy: 1.4237247734948588
Energy: 1.4311619285274053
Energy: 1.6472449500831876
Energy: 1.5278312918939083
Energy: 1.4244540008929716
Energy: 1.4238368819926976
Energy: 1.5207219567237085
Energy: 1.6472321650495836
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Energy: 1.4181080748802009
Energy: 1.4795385972132917
Energy: 1.3768752993635738
Energy: 1.467469022215284
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Energy: 1.47832702890007
Energy: 1.3753947438993521
Energy: 1.3760084517618458
Energy: 1.40762887729574
Energy: 1.6034328375610793
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minimum gb energy = 1.3330530179908744 eV
minimum distance =  2.2033082459876 Angstroms
sigma value = 105


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

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Energy: 1.4294569024702213
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Energy: 1.6525526667596402
Energy: 1.3847774563449966
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Energy: 1.6526358418647966
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Energy: 1.4493663908544123
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Energy: 1.37720514213825
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Energy: 1.3782386396252257
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Energy: 1.4291788098233573
Energy: 1.421902226595675
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Energy: 1.5462115329491284
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Energy: 1.3842633852819484
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Energy: 1.4269976107114868
Energy: 1.4686666301046845
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Energy: 1.4270032320913275
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Energy: 1.3844334081979839
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Energy: 1.454837358210838
Energy: 1.4405904770048048
Energy: 1.4402628829557298
Energy: 1.9245706972293903
Energy: 1.460912525450464
Energy: 1.4839767776967703
Energy: 1.4419643778116822
Energy: 1.449680155566208
Energy: 1.608625611800092
Energy: 1.504484520087532
Energy: 1.544318671141788
Energy: 1.4856324678603852
Energy: 1.4269130490149218
Energy: 1.4131484560289533
Energy: 1.4986858317805427
Energy: 1.5106468872628718
Energy: 1.4976093791819152
Energy: 1.4268618648812905
Energy: 1.4229848656216717
Energy: 1.4768494844183597
Energy: 1.4748193686512963
Energy: 1.5108183965340976
Energy: 1.5985469628570206
Energy: 1.4194910512761452
Energy: 1.4799425457685351
Energy: 1.4780068591570026
Energy: 1.501499470019228
Energy: 1.4987758833385603
Energy: 1.527156314964879
Energy: 1.4559076869558583
Energy: 1.419374068068832
Energy: 1.4178371684534414
Energy: 1.5149451187216274
Energy: 1.500664050395076
Energy: 1.4634634186710955
Energy: 1.425157606032511
Energy: 1.4218002360403463
Energy: 1.8058594371485048
Energy: 1.5491760508431662
Energy: 1.4431197124220154
Energy: 1.419715312758366
Energy: 1.4382072529015697
Energy: 1.5020326822322845
Energy: 1.618386658878024
Energy: 1.390526488527488
Energy: 1.423377312617873
Energy: 1.4234119409004908
Energy: 1.5400089267798456
Energy: 1.4876201835724103
Energy: 1.5638361781464798
Energy: 1.5814787143114413
Energy: 1.5575888151748727
Energy: 1.5274176684801741
Energy: 1.393165467421474
Energy: 1.5646279036195967
Energy: 1.5773842992935398
Energy: 1.5576909977737485
Energy: 1.521174081618662
Energy: 1.4824902736582148
Energy: 1.4352688509035763
Energy: 1.4072660232471663
Energy: 1.4844432855579788
Energy: 1.4118826467909558
Energy: 1.500704827972745
Energy: 1.3850308626589851
Energy: 1.3773645236019676
Energy: 1.4513520912407372
Energy: 1.5231155840066821
Energy: 1.5121044677354814
Energy: 1.4179687457852985
Energy: 1.4068091828471512
Energy: 1.4078446482469256
Energy: 1.4829787055905796
Energy: 1.9436677358117274
Energy: 1.3997987777346788
Energy: 1.3749611094583116
Energy: 1.377479154468439
Energy: 1.5755027202225715

minimum gb energy = 1.3495879302006488 eV
minimum distance =  2.1864093345634 Angstroms
sigma value = 165


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

Energy: 1.5726282622551013
Energy: 1.3606159625758796
Energy: 1.4391332682543612
Energy: 1.361030909138615
Energy: 1.3377937643874636
Energy: 1.4773122024092762
Energy: 1.3535639591238406
Energy: 1.4183005567748823
Energy: 1.3935314813876971
Energy: 1.3574313931751651
Energy: 1.5098209555861872
Energy: 1.5226076870501422
Energy: 1.3606434302358668
Energy: 1.359041279117669
Energy: 1.3547982578302147
Energy: 1.482418229392769
Energy: 1.3718031682120948
Energy: 1.3925569461518612
Energy: 1.40116728982711
Energy: 1.496801850031223
Energy: 1.3664271401885042
Energy: 1.3700082117574424
Energy: 1.4081203753152818
Energy: 1.3643627771824198
Energy: 1.3590885474998802
Energy: 1.404518729626055
Energy: 1.384066517807047
Energy: 1.413417759688911
Energy: 1.4269223445092496
Energy: 1.3583568437761606
Energy: 1.462800845628158
Energy: 1.4312900236575448
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Energy: 1.3992007588629942
Energy: 1.404104235100948
Energy: 1.3818352071701205
Energy: 1.5784771307419871
Energy: 1.477673391646747
Energy: 1.3448703501273844
Energy: 1.3755402897770512
Energy: 1.3738211913016145
Energy: 1.3719916972317476
Energy: 1.4693744136269433
Energy: 1.3442191931629723
Energy: 1.36804914765639
Energy: 1.3671193018520404
Energy: 1.3581260838363018
Energy: 1.3439480108206336
Energy: 1.9708176056248843
Energy: 1.5233512259267215
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Energy: 1.2947434133662359
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Energy: 1.371117555571514
Energy: 1.45057526720169
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Energy: 1.2590810349310628
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Energy: 1.3893507707480166
Energy: 1.3896380951086336
Energy: 1.4080589975378328
Energy: 1.2602362117244903
Energy: 1.3061618715084617
Energy: 1.390762332008504
Energy: 1.3885866668812374
Energy: 1.3380655700739255
Energy: 1.4887254031115282
Energy: 1.315625541072778
Energy: 1.3917348650865764
Energy: 1.3923053855495848
Energy: 1.4081961673872934
Energy: 1.5060377211978684
Energy: 1.4072874976474177
Energy: 1.3887665492072523
Energy: 1.3919360127037959
Energy: 1.4280606780874832
Energy: 1.305428157978685
Energy: 1.414953279824541
Energy: 1.3144061762603014
Energy: 1.374299206496989
Energy: 1.5796185881731848
Energy: 1.4011039952205324
Energy: 1.4138273272413608
Energy: 1.3067839616368842
Energy: 1.4651280992780975
Energy: 1.5795885436087402
Energy: 1.5039651163685333
Energy: 1.4373349387024494
Energy: 1.3714878867087477
Energy: 1.3712532566833622
Energy: 1.3589411261590087
Energy: 1.4030062328104793
Energy: 1.491170597578978
Energy: 1.385272895299712
Energy: 1.3805644074096464
Energy: 1.3579966707004218
Energy: 1.4508082209736672
Energy: 1.584006799614735
Energy: 1.368180913828741
Energy: 1.3823678070594774
Energy: 1.4191514856006382
Energy: 1.4519329055293113
Energy: 1.5835809626052362
Energy: 1.3837848704739044
Energy: 1.3743628931854062
Energy: 1.479382328995936
Energy: 1.3730441524168138
Energy: 1.52038216714769
Energy: 1.43735495386434
Energy: 1.2965360126461092
Energy: 1.3048577499212812
Energy: 1.4018842470405928
Energy: 1.4833539421202029
Energy: 1.3991016063027082
Energy: 1.2982653412080836
Energy: 1.3776729016848097
Energy: 1.542943580056871
Energy: 1.3903149807672508
Energy: 1.4522187284194066
Energy: 1.4078983926599642
Energy: 1.3702010839436822
Energy: 1.3393377854243147
Energy: 1.355938583226403
Energy: 1.4216428795450085
Energy: 1.3776893494798612
Energy: 1.4515251472693345

minimum gb energy = 1.2590810349310628 eV
minimum distance =  2.26205222077101 Angstroms
sigma value = 41


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

Energy: 2.09441342946728
Energy: 1.1912221487882149
Energy: 1.1722186231925253
Energy: 1.1330737399746362
Energy: 1.1100057984594591
Energy: 2.094144729965605
Energy: 1.2524564651291636
Energy: 1.1733745903648356
Energy: 1.133830079206299
Energy: 1.4827311487120078
Energy: 1.4013657020622574
Energy: 1.2086917952125271
Energy: 1.1436284796472624
Energy: 1.1424133485449948
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Energy: 1.1800243875161915
Energy: 1.1804619997568386
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Energy: 1.2507780355948808
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Energy: 1.3371818082975788
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Energy: 1.4448832076447695
Energy: 1.1845467762511055
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Energy: 1.1835852630257346
Energy: 1.1802467970984574
Energy: 1.6540910262445856
Energy: 1.1847399840115294
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Energy: 1.1838590276407714
Energy: 1.1799931232359935
Energy: 1.6428442416757256
Energy: 1.2501600163018587
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Energy: 1.1806872634007783
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Energy: 1.250451883219171
Energy: 1.1814988111387181
Energy: 1.1800542733900765
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Energy: 1.4476784766765884
Energy: 1.1974763267331336
Energy: 1.2314695303838945
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Energy: 1.116262444454078
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Energy: 1.2756587498002363
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Energy: 1.179187592852327
Energy: 1.1644969676867651
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Energy: 1.2119164350060538
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Energy: 1.1761494650138575
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Energy: 1.2093372024925604
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Energy: 1.1456282803690867
Energy: 1.1851022267325002
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Energy: 1.1343734063171051
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Energy: 1.1428628194921266
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Energy: 1.4443128087406472
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Energy: 1.1859396685655867
Energy: 1.2168588813189687
Energy: 1.4442697633885195
Energy: 1.1806592565088225
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Energy: 1.3027862443516383
Energy: 1.1844380618626795
Energy: 1.1835617519827988
Energy: 1.1625575943199455
Energy: 1.1667521921702209
Energy: 1.239237582113184
Energy: 1.1845392343200587
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Energy: 1.6489166526553516
Energy: 1.2198037218727662
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Energy: 1.1795677329900351
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Energy: 1.425595567012632
Energy: 1.2245698965381004
Energy: 1.4492876700577875
Energy: 1.1795810121677854
Energy: 1.1806599315030066
Energy: 1.2739389879306207
Energy: 1.2016283112963633
Energy: 1.4486638652038093
Energy: 1.199347368248968
Energy: 1.4248716304260844
Energy: 1.4382813210787453
Energy: 1.2418869897510947
Energy: 1.442619598307788
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Energy: 1.2739365815032542
Energy: 1.439259999015981
Energy: 1.1800146235613889
Energy: 1.4424856266339514
Energy: 1.1805796214069106
Energy: 1.1795301557551794
Energy: 1.2377908102089688
Energy: 1.3039396209361844
Energy: 1.180152955298294
Energy: 1.1822234635238165
Energy: 1.1799295601234774
Energy: 1.2636761178034828
Energy: 1.369528069456826
Energy: 1.1808348677142204
Energy: 1.180681631473406
Energy: 1.2366317587841136
Energy: 1.1793160005300722
Energy: 1.3080470549394045
Energy: 1.1768884208434132
Energy: 1.2161770832093928
Energy: 1.2360509863463867
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Energy: 1.3071718722741792
Energy: 1.182593875074005
Energy: 1.2225953215853087
Energy: 1.2320586756065084
Energy: 1.1806566944183494
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Energy: 1.2216178730508926
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Energy: 1.1659600940862915
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Energy: 1.134037047176735
Energy: 1.1337045902014031
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Energy: 1.8784019760906456
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Energy: 1.133566568515898
Energy: 1.1734118175919594
Energy: 1.1411995644227537
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Energy: 1.2132363306875473
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Energy: 1.1722922160693696
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Energy: 1.1846043558483084
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Energy: 1.2216169982284866
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Energy: 1.3547745192357374
Energy: 1.1792958586984654
Energy: 1.2502845074374738
Energy: 1.2005260227317363
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Energy: 1.4493975996959507
Energy: 1.249910070308888
Energy: 1.4324208761624522
Energy: 1.2539399774087034
Energy: 1.2503004709841319
Energy: 1.1805175884938068
Energy: 1.1810101623482459
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Energy: 1.2208936678978983
Energy: 1.2511975315362267
Energy: 1.1815120837254567
Energy: 1.18047622326356
Energy: 1.179802889646964
Energy: 1.1828849989728254
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Energy: 1.3557928763526579
Energy: 1.182586717946531
Energy: 1.1844831467742352
Energy: 1.182528614202505
Energy: 1.3249440777969161
Energy: 1.355362729261561
Energy: 1.1807223189664267
Energy: 1.2382812659694533
Energy: 1.2255862362119534
Energy: 1.1814619595723401
Energy: 1.2538621812284174
Energy: 1.2524245916117758
Energy: 1.2332729137241387
Energy: 1.1795172589796215
Energy: 1.1817389663369613
Energy: 1.2535204840190235
Energy: 1.1416630110405732
Energy: 1.232334147536155
Energy: 1.215091844101508
Energy: 1.1772838724463037
Energy: 1.141817940940832
Energy: 1.139488208098921
Energy: 1.1444631295169372
Energy: 1.2143092043106944
Energy: 1.177522646960076
Energy: 1.1415591768343336
Energy: 1.1386271687870284
Energy: 1.1375242715568532
Energy: 1.1768516219313034
Energy: 1.873856807150371
Energy: 1.1403128707888754
Energy: 1.1596419564680611
Energy: 1.1665824995110814
Energy: 1.1770764242148313
Energy: 1.8773390549062985
Energy: 1.141340162833015
Energy: 1.1731539678895553
Energy: 1.1684611330713102
Energy: 1.1440105678112664
Energy: 1.2270005986808552
Energy: 1.1654282818468786
Energy: 1.1726049094172981
Energy: 1.1805298330237746
Energy: 1.18232883549139
Energy: 1.225521979633994
Energy: 1.1770053437629338
Energy: 1.1724693795964605
Energy: 1.1419612040945657
Energy: 1.3043797580082477
Energy: 1.14292984967208
Energy: 1.1718072661369652
Energy: 1.172039643041098
Energy: 1.183854051533501
Energy: 1.1851631784449554
Energy: 1.1425646957805842
Energy: 1.1723579177214025
Energy: 1.172651094337099
Energy: 1.1874547977859076

minimum gb energy = 1.1100057984594591 eV
minimum distance =  2.30749348400265 Angstroms
sigma value = 185


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

Energy: 0.8949421187738679
Energy: 0.8616981079232472
Energy: 1.112280013998623
Energy: 0.8462578494839271
Energy: 0.64131625455679
Energy: 0.6417019225038749
Energy: 0.8043836256153868
Energy: 1.5244301966367346
Energy: 1.1371796288215026
Energy: 0.8959004857930346
Energy: 0.7988390156685927
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Energy: 1.808416405993266
Energy: 1.0893358081095532
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Energy: 0.8104537768572516
Energy: 0.8310002008409055
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Energy: 0.6427551744993858
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Energy: 0.623967211307789
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Energy: 0.634315439559656
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Energy: 0.7940453984471126
Energy: 1.0538404309552891
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Energy: 0.8079667770950452
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Energy: 0.6598388032106879
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Energy: 0.6842387438499404
Energy: 0.6840080756729994
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Energy: 1.3278146907538941
Energy: 0.8042411592535867
Energy: 0.6833260230140682
Energy: 0.6831747878132782
Energy: 0.8719337106011894
Energy: 0.5194672432519433
Energy: 0.5141792694079541
Energy: 0.6030059529997178
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Energy: 0.6411343339467509
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Energy: 0.7627381215250214
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Energy: 0.5314498251070906
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Energy: 0.3992462997483785
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Energy: 0.6411816346143249
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Energy: 0.6421570213683913
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Energy: 0.7335405973077759
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Energy: 0.8411256568851765
Energy: 0.8691747271238824
Energy: 0.874984152304461
Energy: 0.5947009493905024
Energy: 0.594702291306983
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Energy: 0.9414969508480945
Energy: 0.9725064317822968
Energy: 0.5964936327047727
Energy: 0.5966977316075522
Energy: 0.9878386624166252
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Energy: 0.8337204301762025
Energy: 0.8148551115986458
Energy: 0.6074130674791828
Energy: 0.9547197081572213
Energy: 0.991602890079998
Energy: 0.902722230718354
Energy: 0.8144111011630463
Energy: 0.8799316745482874
Energy: 1.0147356915486643
Energy: 0.8397599132187205
Energy: 0.8077858514267571
Energy: 0.6963358784379262
Energy: 0.8809920508986833
Energy: 1.0164194624058729
Energy: 1.113274885844801
Energy: 0.8382133640655302
Energy: 0.6733862423026692
Energy: 0.7584760522774299
Energy: 0.7980743828603885
Energy: 1.0098380696604694
Energy: 0.6423664578461018
Energy: 0.6421359427253028
Energy: 0.8238428300656012
Energy: 1.9350205722424902
Energy: 0.8888445811658391
Energy: 0.7214073519713452
Energy: 0.7210854699780065
Energy: 0.9825636910957257
Energy: 0.8824909156935257
Energy: 1.0765266318013058
Energy: 0.7517711058252303
Energy: 0.8184576322533667
Energy: 0.9700984981132248
Energy: 1.0660950581085893
Energy: 0.7804292331981185
Energy: 0.804114156322632
Energy: 0.7329994168412745
Energy: 0.9177521784781288
Energy: 1.1523601561313666
Energy: 0.840442717846134
Energy: 0.9002830687503423
Energy: 0.8447408565875603
Energy: 1.182769805160757
Energy: 0.9197070066435273
Energy: 1.0090681386624736
Energy: 0.6416820022193672
Energy: 1.0054675348458981
Energy: 1.0661844088014993
Energy: 1.1600201631619573
Energy: 0.8959029747711968

minimum gb energy = 0.38484003943530737 eV
minimum distance =  2.35062494048506 Angstroms
sigma value = 33


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

Energy: 1.8062191097121099
Energy: 1.1043087903125628
Energy: 1.1082261069548072
Energy: 1.0165441785778893
Energy: 1.2313631645900036
Energy: 1.7593333514574345
Energy: 1.038225616662554
Energy: 1.1112405402966556
Energy: 1.084954262460567
Energy: 1.2065321332249606
Energy: 1.0432457668783315
Energy: 1.0107406352199777
Energy: 1.0289797368886222
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Energy: 1.0016835903718202
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Energy: 1.0287465161396585
Energy: 1.0515363019582804
Energy: 1.0495226843654053
Energy: 1.0127896880111973
Energy: 1.0096859235066689
Energy: 1.0504048251512037
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Energy: 1.0359594605047997
Energy: 1.000622546693034
Energy: 1.000374581185931
Energy: 1.0251204150646067
Energy: 1.0492595841062622
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Energy: 1.059316255711013
Energy: 1.0557294483624091
Energy: 1.0743412304134015
Energy: 1.3800310798532538
Energy: 1.1351135994738173
Energy: 1.0593935749833094
Energy: 1.0584627966834979
Energy: 1.081057143140217
Energy: 1.484727949941022
Energy: 1.0512517619479778
Energy: 1.0447146022298766
Energy: 1.0605361151241406
Energy: 1.0888828006200215
Energy: 1.053002721324587
Energy: 1.0523693267573264
Energy: 1.0543396979850737
Energy: 1.0598516576694645
Energy: 1.0694179774927568
Energy: 1.0945565609532568
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Energy: 1.0452175543910793
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Energy: 1.2781260097462324
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Energy: 1.2171636713073395
Energy: 1.052241969401866
Energy: 1.3790880259782787
Energy: 1.1971636274640403
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Energy: 1.1741664746873035
Energy: 1.0780723105235024
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Energy: 1.0587755647857293
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Energy: 1.0779176145887246
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Energy: 1.059318384320587
Energy: 1.2991053530604106
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Energy: 1.2136052376563573
Energy: 1.0598139671618205
Energy: 1.0592543786299022
Energy: 1.319333999746459
Energy: 1.3081735406853798
Energy: 1.1800857916980751
Energy: 1.0593414051877876
Energy: 1.2366977851591139
Energy: 1.0888554097439573
Energy: 1.3875388319373163
Energy: 1.0609120953257238
Energy: 1.0886711170440562
Energy: 1.528191431626617
Energy: 1.0887501480885962
Energy: 1.5613225473039651
Energy: 1.0604842015189917
Energy: 1.08888125346901
Energy: 1.2874690842122145
Energy: 1.1571338402340667
Energy: 1.06022280393932
Energy: 1.059766702471727
Energy: 1.0601733773696622
Energy: 1.2616843787610308
Energy: 1.0785031932333407
Energy: 1.0612108737390027
Energy: 1.0600012783064658
Energy: 1.0601909798417875
Energy: 1.1457954294831623
Energy: 1.1828659471327512
Energy: 1.4412129363217225
Energy: 1.2527668410327684
Energy: 1.154358020195773
Energy: 1.1084248195117907
Energy: 1.1820053107151263
Energy: 1.3544180706941344
Energy: 1.2210273468514146
Energy: 1.04755421128414
Energy: 1.3727783802230078
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Energy: 1.2730482793216356
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Energy: 1.039014172728906
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Energy: 1.0892440474998262
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Energy: 1.107328120581836
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Energy: 1.4420866502887928
Energy: 1.0355509528076106
Energy: 1.1109357330476666
Energy: 1.0698015316315037
Energy: 1.2357375409232658

minimum gb energy = 1.000374581185931 eV
minimum distance =  2.20785210087838 Angstroms
sigma value = 219


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

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Energy: 1.453901529884217
Energy: 1.2897100456367463
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Energy: 1.5549044464631712
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Energy: 1.350958389188024
Energy: 1.4944201945067521
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Energy: 1.36979457500391
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Energy: 1.3687870482583886
Energy: 1.3677768874867646
Energy: 1.3704076609520273
Energy: 1.450988767219443
Energy: 1.4517432958788499
Energy: 1.3687971604523126

minimum gb energy = 1.2085325159148181 eV
minimum distance =  2.27433059538902 Angstroms
sigma value = 15


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

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Energy: 1.5795519069099375
Energy: 1.4581270925259204
Energy: 1.4007666284515372
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Energy: 1.6374220414380232
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Energy: 1.3922656174741308
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Energy: 1.3957557542228436
Energy: 1.3909071755530709
Energy: 1.5725179047105715
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minimum gb energy = 1.3790847503564778 eV
minimum distance =  2.20897860232437 Angstroms
sigma value = 293


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

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Energy: 1.4428792329396092
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Energy: 1.8089043922116508
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Energy: 1.623053054685536
Energy: 1.5798558428538472
Energy: 1.8685357842085784
Energy: 1.4320293850856516
Energy: 1.3989487561373866
Energy: 1.5776420935566817
Energy: 1.5036442466240934
Energy: 1.374372017324476
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Energy: 1.4024134248964548
Energy: 1.5788758826504907
Energy: 1.5012489057561356
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Energy: 1.4321454708840502
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Energy: 1.398600675500092
Energy: 1.691318739875294
Energy: 1.5828999153608525
Energy: 1.4292504578877545
Energy: 1.3995308018884223
Energy: 1.4023594473745056
Energy: 1.5872740715183276
Energy: 1.5257241618094228
Energy: 1.4489144217326788
Energy: 1.5155905404162484
Energy: 1.4750366598803077
Energy: 1.7825151970475757
Energy: 1.7651349516063601
Energy: 1.4457873588821073
Energy: 1.5124692055978726
Energy: 1.4729127476571764
Energy: 1.6851948870643212
Energy: 1.6219515519298517
Energy: 1.4634883020324814
Energy: 1.4046306631290577
Energy: 1.4493891887585055
Energy: 1.435751681446305
Energy: 1.6484817702128578
Energy: 1.4046478902309338
Energy: 1.403709894979969
Energy: 1.4359692402660982
Energy: 1.4317658467048933
Energy: 1.6703569922617612
Energy: 1.5359912561936586
Energy: 1.5138360413522003
Energy: 1.4030887375606167
Energy: 1.6578647852268418
Energy: 1.6774789128696377
Energy: 1.5596366469434617
Energy: 1.5143284567004542
Energy: 1.5343641095104301
Energy: 1.638561196517838
Energy: 1.693063216769837
Energy: 1.3691996244164946
Energy: 1.4525597642623371
Energy: 1.6533325896306796
Energy: 1.381893262246683
Energy: 1.5237648503895107
Energy: 1.3554690734877608
Energy: 1.4247793610879305
Energy: 1.6489428560063983
Energy: 1.4043354101238754
Energy: 1.4668224563665124

minimum gb energy = 1.3554690734877608 eV
minimum distance =  2.22305954651241 Angstroms
sigma value = 293


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

Energy: 1.187412842621591
Energy: 1.1928621295000728
Energy: 1.369546745413366
Energy: 1.5096228046625437
Energy: 1.1923624839879499
Energy: 1.1888586330770803
Energy: 1.2219580990576315
Energy: 1.3703278874957656
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Energy: 1.2356449419875999
Energy: 1.219377016352294
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Energy: 1.5080215110013595
Energy: 1.3318436382568606
Energy: 1.2228336152425705
Energy: 1.5079384991245721
Energy: 1.220085358941189
Energy: 1.3730228937868612
Energy: 1.3751500482991503
Energy: 1.2225401164957674
Energy: 1.5075803477686072
Energy: 1.22101732362446
Energy: 1.3698454331080805
Energy: 1.3749007573757843
Energy: 1.373277284506296
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Energy: 1.19183105709915
Energy: 1.2208363730961702
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Energy: 1.5070177692918565
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Energy: 1.3193437159533747
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Energy: 1.2220688403912967
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Energy: 1.3735475444107474
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Energy: 1.2215915647832993
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Energy: 1.5105424959610354
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Energy: 1.1906624393717775
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Energy: 1.3348298287077076
Energy: 1.3179601935072234
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Energy: 1.3674880176542767
Energy: 1.509014752712445
Energy: 1.1920867699395776
Energy: 1.1892336129486005
Energy: 1.2227104935529949
Energy: 1.3678847007281651
Energy: 1.5096160234615423
Energy: 1.1921370244007878
Energy: 1.3746040177645773
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Energy: 1.190406072862
Energy: 1.191992568201354
Energy: 1.2229997809108835
Energy: 1.3751383963969153
Energy: 1.372939507410454
Energy: 1.1900508217035428
Energy: 1.1918525671378493
Energy: 1.2230911995308247
Energy: 1.3745066674225674
Energy: 1.510665922491272
Energy: 1.1917297329108727
Energy: 1.1895969241435702
Energy: 1.2212856362947484
Energy: 1.2216171826932611
Energy: 1.5103277995574464
Energy: 1.1917833917089615
Energy: 1.190342531391925
Energy: 1.2201504419537859
Energy: 1.2220779652945626
Energy: 1.5082727351701903
Energy: 1.3706080805159773
Energy: 1.5110722100631215
Energy: 1.2199482411136564
Energy: 1.247990095013778
Energy: 1.5086066821002415
Energy: 1.3692031183405609
Energy: 1.510284928340195
Energy: 1.2215734952457171
Energy: 1.2470537518736144
Energy: 1.3732042959199253
Energy: 1.1998545200587223
Energy: 1.2234895501846503
Energy: 1.2207393474359562
Energy: 1.2210143569980343
Energy: 1.3723149121826976
Energy: 1.1988937621588938
Energy: 1.2230553913254887
Energy: 1.2209504531718562
Energy: 1.3742157476103571
Energy: 1.3327692171738204
Energy: 1.610962867119168
Energy: 1.3720528105048473
Energy: 1.1896630969329713
Energy: 1.1916914690719667
Energy: 1.3321587847172975
Energy: 1.6088904192137508
Energy: 1.3717405996377
Energy: 1.1890637674548876
Energy: 1.1917551269837554
Energy: 1.2202500898099435
Energy: 1.2474664108204772
Energy: 1.50725993519769
Energy: 1.191489322973223
Energy: 1.3197026082319663
Energy: 1.2207029985697377
Energy: 1.2226907214383955
Energy: 1.507269850244798
Energy: 1.1909473183625214
Energy: 1.2237559734680028
Energy: 1.2218131431892945
Energy: 1.2213121115743928
Energy: 1.6086219148258782
Energy: 1.3730403383557066
Energy: 1.5094733372213993
Energy: 1.2229885890203311
Energy: 1.2215001873705862
Energy: 1.6083171269720666
Energy: 1.3323135833013742
Energy: 1.510327909017577
Energy: 1.1905888886380411
Energy: 1.3311635204711278
Energy: 1.3331736672167536
Energy: 1.3724779107129514
Energy: 1.3187130960114815
Energy: 1.1910337094200134
Energy: 1.330177995579041
Energy: 1.1974397850814797
Energy: 1.3734126917717722
Energy: 1.3183347504298253

minimum gb energy = 1.187412842621591 eV
minimum distance =  2.26263069938724 Angstroms
sigma value = 15


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

Energy: 2.169860664425652
Energy: 1.4050702248263203
Energy: 1.4990053238192589
Energy: 1.378487672990378
Energy: 1.3756964315482456
Energy: 2.1073350229909313
Energy: 1.4354558428344584
Energy: 1.54238384956254
Energy: 1.4441361326692592
Energy: 1.3629881688719578
Energy: 1.3655262379182171
Energy: 1.560426190716837
Energy: 1.4030084431316234
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Energy: 1.435923623844693
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Energy: 1.4993854364648815
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Energy: 1.3782903170797933
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Energy: 1.3704848725279561
Energy: 1.3842096155193178
Energy: 1.4613685016662628
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Energy: 1.5032916346947722
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Energy: 1.5482165244582842
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Energy: 1.4552164739017452
Energy: 1.474641012198191
Energy: 1.3899441717882142
Energy: 1.3874975098857667
Energy: 1.5906349656331584
Energy: 1.4993194303034763
Energy: 1.529378976496784
Energy: 1.4508462940912048
Energy: 1.3789090087692
Energy: 1.5915425918629045
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Energy: 1.5452174658450955
Energy: 1.6404975073449148
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Energy: 1.4005712404158202
Energy: 1.4010700010180315
Energy: 1.4035151554924785
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Energy: 1.3994746728238587
Energy: 1.402731903051241
Energy: 1.4023677843517255
Energy: 1.6041503141327758
Energy: 1.525204068799783
Energy: 1.3999773514707512
Energy: 1.3985010630795267
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Energy: 1.415661670538666
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Energy: 1.4011550004832134
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Energy: 1.4612670463210213
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Energy: 1.5038061966879936
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Energy: 1.3717042936124242
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Energy: 1.4968462041270565
Energy: 1.5089921305273055
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Energy: 1.3873841974470622
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Energy: 1.6430962246715983
Energy: 1.6450504749737882
Energy: 1.3881355335045145
Energy: 1.5775399827201124
Energy: 1.591532012593612
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Energy: 1.3899460463169389
Energy: 1.3866968237809556
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Energy: 1.3695210072298403
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Energy: 1.3969153672632935
Energy: 1.4021542963498579
Energy: 1.38411363461652
Energy: 1.6422788170042848
Energy: 1.3962975547745184
Energy: 1.393165534352888
Energy: 1.396872611714425
Energy: 1.500519522291183
Energy: 1.5437379823455935
Energy: 1.4656596616092825
Energy: 1.3947274789259583
Energy: 1.4030303080416024
Energy: 1.5213005834249866
Energy: 1.5471265169288206
Energy: 1.4680147334070959
Energy: 1.3899545381275542
Energy: 1.3972862745608299
Energy: 1.5024738602249488
Energy: 1.5117226889196294
Energy: 1.4027876499659582
Energy: 1.3710657695942845
Energy: 1.5960493050593683
Energy: 1.5032656489455958
Energy: 1.658524017664351
Energy: 1.3833070837813544
Energy: 1.381388665803217
Energy: 1.6696470499469214
Energy: 1.508389090485931
Energy: 1.417431610674714
Energy: 1.491538689646523
Energy: 1.3720157007556466
Energy: 1.4384439631656267
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Energy: 1.5190140361068465
Energy: 1.4720432804002166
Energy: 1.5245119799140185
Energy: 1.4772066751382253
Energy: 1.402841217540024
Energy: 1.4366718260741127
Energy: 1.6626156249677104
Energy: 1.486696757654607
Energy: 1.4257371884752026
Energy: 1.4023270301529516
Energy: 1.4829798148565647
Energy: 1.4129735148221803
Energy: 1.5091190963511865
Energy: 1.4499920620519045
Energy: 1.4558602923976254
Energy: 1.4892212060294958
Energy: 1.512530705636509
Energy: 1.7241072214229662
Energy: 1.563964756359532
Energy: 1.435167867823192
Energy: 1.4806666811305251
Energy: 1.5041997722755345
Energy: 1.7264475025759525
Energy: 1.4350734950856785
Energy: 1.5119476543766477
Energy: 1.5113988498231943
Energy: 1.5070127864854141
Energy: 1.51677587622686
Energy: 1.571836131168474
Energy: 1.5368037572650854
Energy: 1.502758166866605
Energy: 1.502711476387478
Energy: 1.506476984774594
Energy: 1.370112343947914
Energy: 1.3744602981528675
Energy: 1.5576023539415456
Energy: 1.6498496422234092
Energy: 1.549432700058805
Energy: 1.9032701310413287
Energy: 1.6219596744872802
Energy: 1.5308125874765741
Energy: 1.6509994365336769
Energy: 1.5570495035728456
Energy: 1.9025832337129938
Energy: 1.6492097733660152
Energy: 1.5961930761745358
Energy: 1.5634773827034112
Energy: 1.5349849987473596
Energy: 1.3869730366083368
Energy: 1.6599985506210908
Energy: 1.5637372202655972
Energy: 1.559401155521895
Energy: 1.5456784595320359
Energy: 1.387204490317121
Energy: 1.5745023926339232
Energy: 1.543656945201761
Energy: 1.399783390829376
Energy: 1.3867139722705184
Energy: 1.3881288140205523
Energy: 1.5759901400274579
Energy: 1.5119652616700836
Energy: 1.40109129062755
Energy: 1.386018857996559
Energy: 1.3881321847274783
Energy: 1.4538950249740996
Energy: 1.4554226233027676
Energy: 1.4139965211403487
Energy: 1.3885098795796622
Energy: 1.3863879397807921
Energy: 1.4551037825999285
Energy: 1.4563068178000158
Energy: 1.4919721371111403
Energy: 1.3875429418776057
Energy: 1.387342628737336
Energy: 1.5398174109119729
Energy: 1.5421048039660625
Energy: 1.5368472965001616
Energy: 1.444769119889852
Energy: 1.4890623827324794
Energy: 1.5663137849189763
Energy: 1.5421690214817696
Energy: 1.5237090519367322
Energy: 1.437836356114058
Energy: 1.5399199608846434
Energy: 1.3863000531079668
Energy: 1.3902053778038146
Energy: 1.3880819090595353
Energy: 1.6409498259546598
Energy: 1.6640635374165305
Energy: 1.366666359356248
Energy: 1.3994278989861448
Energy: 1.593287080895893
Energy: 1.644689665170592
Energy: 1.686147509077547
Energy: 1.3880666249555589
Energy: 1.3869945102265766
Energy: 1.3880085111967515
Energy: 1.5538090169096794
Energy: 1.4098112657618382
Energy: 1.4030206875900522
Energy: 1.3985534515280411
Energy: 1.3970533636159665
Energy: 1.4362040282720807
Energy: 1.5711849968287057
Energy: 1.3899456920507065
Energy: 1.3977097639152762
Energy: 1.503575410952184
Energy: 1.5034121322610248
Energy: 1.4560949374538352
Energy: 1.4069350131185134
Energy: 1.401273270386143
Energy: 1.5034734125495612
Energy: 1.7372468930396596
Energy: 1.5702853135155543
Energy: 1.4409708800579832
Energy: 1.5290184262990651
Energy: 1.4535957038034981
Energy: 1.4109519206010375
Energy: 1.387654764179341
Energy: 1.378681685889893
Energy: 1.435181114450896
Energy: 1.435698324914179
Energy: 1.4121965692753589
Energy: 1.5804143212750397

minimum gb energy = 1.3629881688719578 eV
minimum distance =  2.26655741451954 Angstroms
sigma value = 437


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

Energy: 1.7053900203603327
Energy: 1.5017176694122654
Energy: 1.67343637117805
Energy: 1.584792380684046
Energy: 1.5102450531290663
Energy: 1.7071271203539824
Energy: 1.5866495842845258
Energy: 1.5893836289621373
Energy: 1.5860530334775231
Energy: 1.46520375750831
Energy: 1.4778959511328484
Energy: 1.6184273459402663
Energy: 1.5002186610379793
Energy: 1.5010345561912548
Energy: 1.652336489690075
Energy: 1.5020834427007843
Energy: 1.715076063149191
Energy: 1.5008281431698987
Energy: 1.581315598227371
Energy: 1.6554219090532227
Energy: 1.4752841827967413
Energy: 1.503984356400369
Energy: 1.5883262796848001
Energy: 1.493256224068936
Energy: 1.4314706974111673
Energy: 1.5186180981746396
Energy: 1.506671867524219
Energy: 1.6798352774183614
Energy: 1.5640607487703593
Energy: 1.4322925681315282
Energy: 1.496764262477105
Energy: 1.4226978979099862
Energy: 1.606506224734147
Energy: 1.4344061939968742
Energy: 1.4316182397108101
Energy: 1.4973837669657282
Energy: 1.4884706114965809
Energy: 1.6067816570700777
Energy: 1.434596282507297
Energy: 1.431376557453612
Energy: 1.4349453651890915
Energy: 1.6238216451420646
Energy: 1.7948013375797822
Energy: 1.481763611671711
Energy: 1.4995047748024977
Energy: 1.4359068954012484
Energy: 1.6050995189619204
Energy: 1.635348275572027
Energy: 1.4823423037811483
Energy: 1.6532437047112554
Energy: 1.3639705490167295
Energy: 1.4010615042203551
Energy: 1.4368744636138084
Energy: 1.4451588708638676
Energy: 1.7099389539061147
Energy: 1.3640111542070086
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Energy: 1.4376287993331547
Energy: 1.4442802730126794
Energy: 1.7098652606850067
Energy: 1.5060331314156035
Energy: 1.4757184299346777
Energy: 1.4344814814713542
Energy: 1.470336436005197
Energy: 1.5816382112374938
Energy: 1.5043089855343428
Energy: 1.4793401343992727
Energy: 1.4345567252562246
Energy: 1.4460730397864014
Energy: 1.6098596966879264
Energy: 1.502691870010953
Energy: 1.4388040920191714
Energy: 1.510954049746407
Energy: 1.6076214887356803
Energy: 1.7083187438250886
Energy: 1.5052805663108337
Energy: 1.4377648141949189
Energy: 1.5088999466254513
Energy: 1.6138345259386582
Energy: 1.6059732844667571
Energy: 1.5392389296996054
Energy: 1.6042927788752763
Energy: 1.3798911789095358
Energy: 1.6998181920862758
Energy: 1.492665771322929
Energy: 1.5383711430744256
Energy: 1.6037413107495957
Energy: 1.3799356972865982
Energy: 1.6094944569197938
Energy: 1.4206958633584674
Energy: 1.634973177281925
Energy: 1.602878599799337
Energy: 1.377160491880952
Energy: 1.8452227464980273
Energy: 1.6118840120726974
Energy: 1.5879721685127388
Energy: 1.6031617314578048
Energy: 1.376704120764534
Energy: 1.711762784432458
Energy: 1.3773317475156974
Energy: 1.3742368783310526
Energy: 1.3774664579455365
Energy: 1.3783993305144728
Energy: 1.7189426601447118
Energy: 1.6334884237563547
Energy: 1.3730711374359807
Energy: 1.3792127598864223
Energy: 1.3798463026157737
Energy: 1.7144860462308418
Energy: 1.4211364266041235
Energy: 1.3739391824671308
Energy: 1.377978669010356
Energy: 1.3764487232489202
Energy: 1.3850914763097657
Energy: 1.3779826239281492
Energy: 1.3715933497549435
Energy: 1.376812552589563
Energy: 1.3763711098599085
Energy: 1.384620798362383
Energy: 1.3754403626589538
Energy: 1.3738012635914734
Energy: 1.3753831557172245
Energy: 1.6121001936000974
Energy: 1.6061570640472294
Energy: 1.3816256941747778
Energy: 1.3720305272123605
Energy: 1.5094065480388903
Energy: 1.6066769768655311
Energy: 1.701835302635271
Energy: 1.3805803144884832
Energy: 1.5005018568150525
Energy: 1.716631561343503
Energy: 1.741703765788239
Energy: 1.3752893970363564
Energy: 1.6398202119039997
Energy: 1.5016373119440383
Energy: 1.7189622247717367
Energy: 1.7408870108873162
Energy: 1.372988840261592
Energy: 1.3574340222518515

minimum gb energy = 1.3574340222518515 eV
minimum distance =  2.20486127403314 Angstroms
sigma value = 33