Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiPd__SM_559286646876_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.523999392986298
cohesive_energy=4.440349230729681
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.5730476089049795e-19, 3.32917884955494e-19, 3.88902743077356e-19, 4.341241785720059e-19, 4.72172669276238e-19, 5.049323749116359e-19, 5.33528023475268e-19, 5.58707831455212e-19, 5.809925062575179e-19, 6.00764968097712e-19, 6.18321619653084e-19, 6.33891572182296e-19, 6.4766228035152595e-19, 6.597859509410039e-19, 6.703907580814499e-19, 6.79582445430708e-19, 6.874587457634519e-19, 6.9409496138148e-19, 6.995647924099559e-19, 7.039307237376059e-19, 7.072456271933519e-19, 7.095607724294819e-19, 7.109210203917479e-19, 7.11366425496e-19, 7.108841703291659e-19, 7.09320445934382e-19, 7.06465367172594e-19, 7.020770053720679e-19, 6.95854151325612e-19, 6.8743791746721e-19, 6.7639090957578e-19, 6.621763984789319e-19, 6.4413909393336e-19, 6.214618858557239e-19, 5.931273920834339e-19, 5.57860280015826e-19, 5.14043953429194e-19, 4.5960840011241e-19, 3.91889200323132e-19, 3.07398415529142e-19, 2.01637133742168e-19, 6.92441515095192e-20, -9.632558293635779e-20, -3.05985295737954e-19, -6.046710747314039e-19, -1.081735189271244e-18, -1.87161467853978e-18, -3.1778372447072996e-18, -5.3153972227247394e-18, -8.580905572844519e-18, -1.353675833713332e-17, -2.1622975852464e-17, -3.51059330982276e-17, -5.922670232309759e-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: 0.022072639336741764
Energy: 0.02277187249333082
Energy: 0.5515471614055317
Energy: 1.280970209450939
Energy: 1.2171633840138019
Energy: 0.44240985197910615
Energy: 0.022593768761994634
Energy: 0.023242331991910073
Energy: 1.185113381338022
Energy: 0.3449828381579064
Energy: 0.5513459538485315
Energy: 0.8423793485994615
Energy: 0.023077417745571326
Energy: 0.15328537073581733
Energy: 0.022605820588928745
Energy: 0.9748152649204059
Energy: 0.77697061706797
Energy: 0.5505383285508765
Energy: 0.8431902756242305
Energy: 0.15142167590100783
Energy: 0.15339162759990985
Energy: 0.02552514897892292
Energy: 0.8452797866522552
Energy: 0.5522561523382402
Energy: 1.2811070994059124
Energy: 0.43904980189001025
Energy: 0.1523134294791757
Energy: 0.02300422884446659
Energy: 0.15268397363943453
Energy: 1.2119167225539296
Energy: 0.3448508678997883
Energy: 0.5507765216824984
Energy: 0.8451411685786447
Energy: 0.02279609408353273
Energy: 0.15133956907739377
Energy: 0.02251158542714676
Energy: 0.9765182016869525
Energy: 0.5531447793147608
Energy: 0.5499746349513874
Energy: 1.0542652067294325
Energy: 0.15108193594622465
Energy: 0.15353079196773586

minimum gb energy = 0.022072639336741764 eV
minimum distance =  2.46954808952491 Angstroms
sigma value = 5


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

Energy: 1.4907943796540104
Energy: 1.4106404372497274
Energy: 1.5153470807658629
Energy: 1.597088861370415
Energy: 1.429556874381702
Energy: 1.4469381875168452
Energy: 1.7229580568556628
Energy: 1.3288049704562257
Energy: 1.49659218241013
Energy: 1.3224519607182346
Energy: 1.4430093155045007
Energy: 1.3272509369776642
Energy: 1.324460811981444
Energy: 1.4798521945476206
Energy: 1.312788005607285
Energy: 1.4822406795867558
Energy: 1.4872060032599437
Energy: 1.4460733523136882
Energy: 1.4729734321012158
Energy: 1.4846802393242593
Energy: 1.4109497722737345
Energy: 1.3125883177689006
Energy: 1.3906134590390036
Energy: 1.337015098884652
Energy: 1.450630939179418
Energy: 1.4362301282958336
Energy: 1.3369101848516691
Energy: 1.465991846350753
Energy: 1.5162142829564933
Energy: 1.3569420205734277
Energy: 1.4057750941331952
Energy: 1.3813193889954098
Energy: 1.4382629512292
Energy: 1.3715135401894385
Energy: 1.4096965967261594
Energy: 1.4391454066989648
Energy: 1.4189940776649927
Energy: 1.397754640247693
Energy: 1.3198203734045062
Energy: 1.3600293545553048
Energy: 1.4534436694702233
Energy: 1.4073724858377656
Energy: 1.3923823755563025
Energy: 1.3374270174342653
Energy: 1.47404120180827
Energy: 1.427440081148709
Energy: 1.377219195537866
Energy: 1.4751182604193918
Energy: 1.4724598730842433
Energy: 1.3640281019396823
Energy: 1.410415014431701
Energy: 1.416821630489362
Energy: 1.4306394104077662
Energy: 1.3200671727751885
Energy: 1.48908412912902
Energy: 1.4714770652500697
Energy: 1.3475442755675684
Energy: 1.3993043544112034
Energy: 1.4588011444628874
Energy: 1.3821003145405035
Energy: 1.4754795356925228
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Energy: 1.3860437396883778
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Energy: 1.4471528698168492
Energy: 1.471139791045905
Energy: 1.4054005417017472
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Energy: 1.4901513116017118
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Energy: 1.4355798891391567
Energy: 1.3635438658810817
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Energy: 1.4258705998534384
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Energy: 1.3113105613058271
Energy: 1.522588511125287
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Energy: 1.4839018875398573
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Energy: 1.3820237970682743
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Energy: 1.4031263061256465
Energy: 1.3223425827658215
Energy: 1.3819813868414947
Energy: 1.5482013506799612
Energy: 1.3944970759105269
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Energy: 1.4543801330009456
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Energy: 1.4075501008484372
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Energy: 1.4250659259685081
Energy: 1.4482217144563663
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Energy: 1.391289000731039
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Energy: 1.336595400733594
Energy: 1.3956486157395935
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Energy: 1.3455446733720338
Energy: 1.4217865385204036
Energy: 1.4567568436622875
Energy: 1.4524847761231192
Energy: 1.4845142777465758
Energy: 1.325083988939847
Energy: 1.403919462128046
Energy: 1.4748718002834804
Energy: 1.411147305322773
Energy: 1.3415281698591905
Energy: 1.5605357508412294
Energy: 1.336696321996515
Energy: 1.4501105676012833
Energy: 1.4198974141622087
Energy: 1.3386749371534066
Energy: 1.518714409720846
Energy: 1.3738413929462636
Energy: 1.3582178225335644
Energy: 1.4058785924122095
Energy: 1.3818857993135674
Energy: 1.4027482521242542
Energy: 1.4252262454917448
Energy: 1.4041106411463202
Energy: 1.4483759343694593
Energy: 1.4276161074315845
Energy: 1.4065992607483901
Energy: 1.3196464290864984
Energy: 1.4002916176299256
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Energy: 1.3384029501236847
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Energy: 1.4193274693477047
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Energy: 1.3802117283128645
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Energy: 1.4652619107406173
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Energy: 1.431833991949169
Energy: 1.3788390221224058
Energy: 1.5194042229459497
Energy: 1.4128263470644011
Energy: 1.3985168018635674
Energy: 1.3456843480429492
Energy: 1.4265777643526456
Energy: 1.4677767942808635
Energy: 1.3979206188901652
Energy: 1.3856303511745036
Energy: 1.5903750514687378
Energy: 1.4687490571738997
Energy: 1.4958965690848067
Energy: 1.4361478808463224
Energy: 1.3998537972900784
Energy: 1.4349888701778744
Energy: 1.3436195689952626
Energy: 1.3958389216497988
Energy: 1.3398145020165264
Energy: 1.415531469151275
Energy: 1.3769662313544846
Energy: 1.4262323024257428
Energy: 1.4468426865745598
Energy: 1.4467866392074005
Energy: 1.4328154404743096
Energy: 1.3996246353145247
Energy: 1.4199811628362915
Energy: 1.354432516080099
Energy: 1.3985818580108582
Energy: 1.5632161978869723
Energy: 1.4446845008242506
Energy: 1.372124396429355
Energy: 1.4310217282289264
Energy: 1.3268776595212806
Energy: 1.3030488858635931
Energy: 1.389252664267553
Energy: 1.3399657951595325
Energy: 1.4221887108485
Energy: 1.495544829190809
Energy: 1.4326733354670818
Energy: 1.4594423928429896
Energy: 1.4135724664333882
Energy: 1.3993993743242636
Energy: 1.4866855246681179
Energy: 1.415707394451024
Energy: 1.3034573557053597
Energy: 1.3945957353092542
Energy: 1.3173944636978996
Energy: 1.4037731706612968
Energy: 1.4753385216169006
Energy: 1.3725937588095594
Energy: 1.3308408423393205
Energy: 1.570761716154001
Energy: 1.3913302343516571
Energy: 1.4301475722463148
Energy: 1.3741577288344904
Energy: 1.4363454772774997
Energy: 1.3601473769913515
Energy: 1.4169977077592566
Energy: 1.3532734730271712
Energy: 1.4065159763798163
Energy: 1.31952887174807
Energy: 1.3416474261385016
Energy: 1.4007320262490333
Energy: 1.3634517088522036
Energy: 1.4141551267586423
Energy: 1.4533286949075495
Energy: 1.362094701288555
Energy: 1.4835243879263087
Energy: 1.377568395146872
Energy: 1.3515459844989335
Energy: 1.430772658242283
Energy: 1.4091567583103972

minimum gb energy = 1.3002605326023609 eV
minimum distance =  2.22755954552456 Angstroms
sigma value = 401


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

Energy: 1.40727457913715
Energy: 1.3658380032697306
Energy: 1.4566111193386526
Energy: 1.334496119941391
Energy: 1.746869082223074
Energy: 1.4081411276978202
Energy: 1.4031838657753581
Energy: 1.3550681346387148
Energy: 1.3714960388548862
Energy: 1.3313072654308333
Energy: 1.3342420154200016
Energy: 1.3541961046558022
Energy: 1.428551667870232
Energy: 1.3539410439343498
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Energy: 1.4660311447265306
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Energy: 1.4144259740886416
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Energy: 1.342198077864102
Energy: 1.3698885894596833
Energy: 1.3361707425875096
Energy: 1.4029502273041177
Energy: 1.327706378678134
Energy: 1.3749965296627062
Energy: 1.511065219330819
Energy: 1.4081564534209687
Energy: 1.3459105532189108
Energy: 1.3609965269265496
Energy: 1.3504120436294442
Energy: 1.3391712522318213
Energy: 1.385479376773869
Energy: 1.522287780571376
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Energy: 1.357235000951663
Energy: 1.3737055999732302
Energy: 1.3492155126879115
Energy: 1.3417984363246154
Energy: 1.3910753005426217
Energy: 1.5531699230011524
Energy: 1.4692806922461725
Energy: 1.339114212025705
Energy: 1.353921320903599
Energy: 1.3372840549026388
Energy: 1.5422922869349718
Energy: 1.435234487983877
Energy: 1.367182894127751
Energy: 1.4336875318425433
Energy: 1.3864271643994892
Energy: 1.3555888230578166
Energy: 1.3756566166428572
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Energy: 1.36515529485806
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Energy: 1.3806473395366379
Energy: 1.3769600637796056
Energy: 1.3311573375749917
Energy: 1.3963123647464268
Energy: 1.3515115499294013
Energy: 1.4189202972100476
Energy: 1.3543402635721333
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Energy: 1.3961982423688022
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Energy: 1.3587313869262994
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Energy: 1.403701886154415
Energy: 1.4200412805716582
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Energy: 1.3912431870137496
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Energy: 1.3480858856018596
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Energy: 1.4034509447683199
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Energy: 1.3230016996117984
Energy: 1.3384065434667622
Energy: 1.3397916896833613
Energy: 1.3381849071077985
Energy: 1.4363624221013735
Energy: 1.358097130917521
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Energy: 1.365114089617019
Energy: 1.3388802679031404
Energy: 1.3436427388397578
Energy: 1.3470050823346
Energy: 1.4239961447675853
Energy: 1.3330128184602537
Energy: 1.3335547554726688
Energy: 1.3884874587866096
Energy: 1.3385976180391133
Energy: 1.4069864934626004
Energy: 1.4536405527986924
Energy: 1.4049023237014318
Energy: 1.346513664700691
Energy: 1.3754391666891714
Energy: 1.4191989743767155
Energy: 1.3449615845211944
Energy: 1.5227278667296218
Energy: 1.4753659721424472
Energy: 1.5063994831035223
Energy: 1.4001958521304148
Energy: 1.434690550726445
Energy: 1.530573681952216
Energy: 1.4186359603130283
Energy: 1.5200652862704636
Energy: 1.401385285325389
Energy: 1.3825222792444483
Energy: 1.3539084421659797
Energy: 1.3461787308633326
Energy: 1.327785543292464
Energy: 1.4000050806459312
Energy: 1.500564589258877
Energy: 1.4593744970883094
Energy: 1.374024613460715
Energy: 1.381134345184497
Energy: 1.3394334280468292
Energy: 1.3404481595403543
Energy: 1.365674672412586
Energy: 1.363040190650216
Energy: 1.3736696508211765
Energy: 1.35111177981403
Energy: 1.359907517567512
Energy: 1.3380026125567028
Energy: 1.3308222944803787
Energy: 1.459904907408604
Energy: 1.4336159747980257
Energy: 1.4208515649810518
Energy: 1.3675408829135716
Energy: 1.3534779166987023
Energy: 1.3348741092430114
Energy: 1.4538480135976446
Energy: 1.4732821136390735
Energy: 1.377674870717321
Energy: 1.4149908957932293
Energy: 1.3845021650252873
Energy: 1.3893917162141638
Energy: 1.3523134297060708
Energy: 1.4310956486084863
Energy: 1.3378904000546081
Energy: 1.3578279575679362
Energy: 1.4506108936053848
Energy: 1.4072175985096058
Energy: 1.347391715772327
Energy: 1.5075200972020877
Energy: 1.3217143412488195
Energy: 1.3365096010829656
Energy: 1.3434101417952091
Energy: 1.3454336772197635
Energy: 1.4336299211878674
Energy: 1.3277666027490769
Energy: 1.3296426535410704
Energy: 1.3690814810741485
Energy: 1.358711493273493
Energy: 1.3397217068186735
Energy: 1.3356679448741018
Energy: 1.4429682639442294
Energy: 1.3515551200569211
Energy: 1.4533276338890893
Energy: 1.3837287989137046
Energy: 1.337911849603921
Energy: 1.3539542235504498
Energy: 1.3393855106687729
Energy: 1.4038672208900174
Energy: 1.3649228057305456
Energy: 1.3659885115594512
Energy: 1.4153235509378221
Energy: 1.3402828506344275
Energy: 1.3863080975472664
Energy: 1.4519120337028022
Energy: 1.4524202801837192
Energy: 1.400108231523675
Energy: 1.3716521962019586
Energy: 1.515473030861113
Energy: 1.4399043121996002
Energy: 1.3628343004885952
Energy: 1.3846217197320507
Energy: 1.3921953774080944
Energy: 1.3548938764811798
Energy: 1.3750977044359998
Energy: 1.36979346220146
Energy: 1.4140264534702083
Energy: 1.5374637759165204
Energy: 1.469048377936881
Energy: 1.4297248733758292
Energy: 1.400990794215337
Energy: 1.3386085453346541
Energy: 1.3418929717589836
Energy: 1.4107305202527862
Energy: 1.3759273804874157
Energy: 1.3822944813698776
Energy: 1.3457008574435403
Energy: 1.3633287744530642
Energy: 1.364823020552027
Energy: 1.338118203470349
Energy: 1.4915350547320245
Energy: 1.3682429587668448
Energy: 1.4251341841061178
Energy: 1.33456737487602
Energy: 1.3621271825842096
Energy: 1.3257676908558431
Energy: 1.450773215157073
Energy: 1.3775176597457286
Energy: 1.3757037628179694
Energy: 1.418071072510126
Energy: 1.3703490436552523
Energy: 1.3378936931080005
Energy: 1.4442750537253641
Energy: 1.4192486724366875
Energy: 1.3705414839929688
Energy: 1.3411423019725366
Energy: 1.409736809726564
Energy: 1.4028296601895625
Energy: 1.3634060770851129
Energy: 1.5483078737053038
Energy: 1.344315836634128
Energy: 1.3544793409966887
Energy: 1.3474176683746877
Energy: 1.3640622981640698
Energy: 1.3903700471511575
Energy: 1.3348718045227426
Energy: 1.355006357504494
Energy: 1.3666313934721632
Energy: 1.3535587330602752

minimum gb energy = 1.3217143412488195 eV
minimum distance =  2.23252500386707 Angstroms
sigma value = 311


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

Energy: 1.4992019444753872
Energy: 1.3713508206985199
Energy: 1.485185100202105
Energy: 1.3757134200087884
Energy: 1.437703837255763
Energy: 1.3755126494088912
Energy: 1.388723405517518
Energy: 1.369070635581338
Energy: 1.4104584893260583
Energy: 1.3712903585902456
Energy: 1.4045222128543784
Energy: 1.3846474797434807
Energy: 1.3745326595190037
Energy: 1.4333875164620957
Energy: 1.3590512987922174
Energy: 1.3621084973095403
Energy: 1.3885926126517394
Energy: 1.3671375594130133
Energy: 1.3850689223191772
Energy: 1.379204986076971
Energy: 1.3765642168907204
Energy: 1.3701937143188692
Energy: 1.564611492378526
Energy: 1.3766215033984006
Energy: 1.5429573454653125
Energy: 1.43537068745491
Energy: 1.3597092335172674
Energy: 1.479553573652792
Energy: 1.42494616479056
Energy: 1.40579977757827
Energy: 1.3849732775682706
Energy: 1.3720504440856738
Energy: 1.430560775656761
Energy: 1.3763291520047232
Energy: 1.4507159350552488
Energy: 1.34799539315801
Energy: 1.4225696914433505
Energy: 1.3730603998860773
Energy: 1.403389087575036
Energy: 1.4078471928073115
Energy: 1.3777252038822383
Energy: 1.4391275825704033
Energy: 1.488520896516177
Energy: 1.3916698691946907
Energy: 1.4447785903360986
Energy: 1.3809429109545348
Energy: 1.4032138217768406
Energy: 1.3608808507857835
Energy: 1.4639738396047555
Energy: 1.3718054276191884
Energy: 1.4005927245815204
Energy: 1.373434674388683
Energy: 1.4533910575914533
Energy: 1.4882064115371527
Energy: 1.4431578217962748
Energy: 1.4388387586091473
Energy: 1.4450766441885545
Energy: 1.365184720104976
Energy: 1.462529558853073
Energy: 1.4357136834983744
Energy: 1.4915312564956649
Energy: 1.3592707127073218
Energy: 1.3659131052304583
Energy: 1.3799055549022243
Energy: 1.4906248185850768
Energy: 1.3608519120105336
Energy: 1.5471059044575586
Energy: 1.4401680869514022
Energy: 1.3714907603004491
Energy: 1.4088444931351904
Energy: 1.4220684312415932
Energy: 1.4320044202172038
Energy: 1.4442424905185947
Energy: 1.3766466995566544
Energy: 1.406483533623269
Energy: 1.5327891333315613
Energy: 1.4475353321996294
Energy: 1.3446184375855337
Energy: 1.4254339491161256
Energy: 1.3916659989871722
Energy: 1.4078312353684803
Energy: 1.3868431765366809
Energy: 1.3546390446260752
Energy: 1.4274957427368669
Energy: 1.4358576944968433
Energy: 1.4033656368111775
Energy: 1.4856088741434152
Energy: 1.379685738750677
Energy: 1.4998938747824044
Energy: 1.3741228208169605
Energy: 1.3923428008102214
Energy: 1.42746480042293
Energy: 1.4372145978507416
Energy: 1.386930500622023
Energy: 1.485462969928471
Energy: 1.4894121096167512
Energy: 1.4440249893066641
Energy: 1.5245538152948928
Energy: 1.3861776587493742
Energy: 1.3798801542463697
Energy: 1.3826462966561983
Energy: 1.4061844419074212
Energy: 1.3761597721601047
Energy: 1.3680833343710457
Energy: 1.3763107109393498
Energy: 1.3640689505466268
Energy: 1.4671101140190597
Energy: 1.3721013048701594
Energy: 1.4068103947557105
Energy: 1.4230542303017453
Energy: 1.3506892177443195
Energy: 1.416837995545574
Energy: 1.441626116745261
Energy: 1.3873115731554033
Energy: 1.4086511740666172
Energy: 1.527453911751623
Energy: 1.3879842201099502
Energy: 1.5252405866311711
Energy: 1.4644973855271426
Energy: 1.338129196354135
Energy: 1.4666609225468972
Energy: 1.3908071761580258
Energy: 1.381336446934656
Energy: 1.3919883755099747
Energy: 1.3823618234798565
Energy: 1.4457872904907947
Energy: 1.4831717629651069
Energy: 1.3763416724358826
Energy: 1.487729275601395
Energy: 1.3687718855460236
Energy: 1.5163379609585337
Energy: 1.3608151940225448
Energy: 1.3766587152703604
Energy: 1.444467035189541
Energy: 1.426678522329718
Energy: 1.4464459338800317
Energy: 1.5288064935784422
Energy: 1.4700318287303102
Energy: 1.4283447041087416
Energy: 1.4867488217069238
Energy: 1.3807591770401457
Energy: 1.388571588149847
Energy: 1.4482540887752493
Energy: 1.3674362758283878
Energy: 1.4193669796620516
Energy: 1.3492270718380472
Energy: 1.408862825693763
Energy: 1.3670269098213084
Energy: 1.4709048868528511
Energy: 1.3886213747286502
Energy: 1.3616912089555955
Energy: 1.4109058573132816
Energy: 1.3658495090186686
Energy: 1.4209320310216604
Energy: 1.401420987906305
Energy: 1.4114221550007988
Energy: 1.3843691511049578
Energy: 1.4378266649820641
Energy: 1.4366579511818918
Energy: 1.4383404060328018
Energy: 1.3809166650856923
Energy: 1.4546158190102765
Energy: 1.4695541121207965
Energy: 1.3943390652327416
Energy: 1.3771721965588373
Energy: 1.3924665678768426
Energy: 1.3689418562311475
Energy: 1.423732999198883
Energy: 1.4918967618171108
Energy: 1.373173255270023
Energy: 1.447482735627887
Energy: 1.38026949398341
Energy: 1.3705229854227436
Energy: 1.3564356887991504
Energy: 1.4302953961131322
Energy: 1.4662018186406176
Energy: 1.3999408283514532
Energy: 1.3689300986852053
Energy: 1.466355975608723
Energy: 1.4895440790348327
Energy: 1.408839724411485
Energy: 1.474985952711117
Energy: 1.4131135357812776
Energy: 1.3724209582904456
Energy: 1.3886518624460502
Energy: 1.3830206420496418
Energy: 1.4945217901448173
Energy: 1.3682540586295306
Energy: 1.3740793525825203
Energy: 1.3491885700705655
Energy: 1.4725085049771551
Energy: 1.4026899721483308
Energy: 1.382437191293586
Energy: 1.4060215602070911
Energy: 1.342666953151975
Energy: 1.4207571586728773
Energy: 1.3827016462710948
Energy: 1.4076301004035732
Energy: 1.4327579323812918
Energy: 1.5117501623456941
Energy: 1.4014348032744033
Energy: 1.426092468103144
Energy: 1.4502310801551452
Energy: 1.425339940681542
Energy: 1.5056372463879695
Energy: 1.4077126611444033
Energy: 1.4511925754298873
Energy: 1.3904452467157615
Energy: 1.3544644940600186
Energy: 1.4245637396437
Energy: 1.435186501428238
Energy: 1.379842598413278
Energy: 1.4420457559539728
Energy: 1.3613785147129565
Energy: 1.3387702468458724
Energy: 1.3682150622618696
Energy: 1.3912134225254738
Energy: 1.372793666631798
Energy: 1.4428492575934861
Energy: 1.390381948202713
Energy: 1.443138415273645
Energy: 1.4886355702222576
Energy: 1.4623807288582558
Energy: 1.3829498037155277
Energy: 1.3906095632716988
Energy: 1.3928585832559301
Energy: 1.4027266803119873
Energy: 1.4062459862395802
Energy: 1.380548451840748
Energy: 1.4082962704724877
Energy: 1.4279488697258793
Energy: 1.3798401393010444
Energy: 1.4286778629156494
Energy: 1.3781774556695299
Energy: 1.405576601190129
Energy: 1.3976461244280347
Energy: 1.3934245555905065
Energy: 1.3795345391527314
Energy: 1.4076090691647452
Energy: 1.4046253290133996
Energy: 1.4034059627447522
Energy: 1.4440363594722085
Energy: 1.3811610261286356
Energy: 1.3616867369370913
Energy: 1.4883334808416975
Energy: 1.4466463514811279
Energy: 1.486144940611638
Energy: 1.451829726136175
Energy: 1.4857499200978577
Energy: 1.4060376384679827
Energy: 1.3529481347493497
Energy: 1.4579232308165047

minimum gb energy = 1.338129196354135 eV
minimum distance =  2.25353598587722 Angstroms
sigma value = 39


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

Energy: 1.2976845998949516
Energy: 1.3067745664717965
Energy: 1.3700853326304927
Energy: 1.5695297966847204
Energy: 1.4706517880958165
Energy: 1.4381407848631305
Energy: 1.2756455521838643
Energy: 1.2782920838685212
Energy: 1.4073306308492826
Energy: 1.4412662334575135
Energy: 1.398375754796856
Energy: 1.3458816777829805
Energy: 1.3651063418217926
Energy: 1.4471007191723697
Energy: 1.3654794243334607
Energy: 1.338562740613906
Energy: 1.4417850757645219
Energy: 1.3809156312098894
Energy: 1.3465522375062529
Energy: 1.3696809980859
Energy: 1.3674415960721493
Energy: 1.3568957004352693
Energy: 1.3639211536297913
Energy: 1.4432702205727297
Energy: 1.3644890965367324
Energy: 1.381127644228207
Energy: 1.4583238627579078
Energy: 1.4430798092512085
Energy: 1.371750728464176
Energy: 1.3460131866257712
Energy: 1.4520126340868973
Energy: 1.3625516060555465
Energy: 1.4434240529454767
Energy: 1.4416776138038656
Energy: 1.367806026698018
Energy: 1.2746782492137783
Energy: 1.3478548210815078
Energy: 1.3617702071970672
Energy: 1.3378864230387997
Energy: 1.4091725629389158
Energy: 1.364209552817303
Energy: 1.3651856111146414
Energy: 1.388149988702892
Energy: 1.4016562786429534
Energy: 1.362027253461882
Energy: 1.40126924591717
Energy: 1.2762617485946444
Energy: 1.2800901706725687
Energy: 1.374176590145428
Energy: 1.276795887212403
Energy: 1.4131316976737165
Energy: 1.4766618779329712
Energy: 1.3402599614982647
Energy: 1.472845583152097
Energy: 1.3672906728824923
Energy: 1.3656841644356286
Energy: 1.274398569015526
Energy: 1.4088580823591925
Energy: 1.4960547684468561
Energy: 1.3370672659088612
Energy: 1.344387525629518
Energy: 1.366398797558628
Energy: 1.3697089239887976
Energy: 1.358084349903768
Energy: 1.413177981338212
Energy: 1.4607665017092526
Energy: 1.3807371312446408
Energy: 1.3452754108784908
Energy: 1.367526192234135
Energy: 1.3676223290424205
Energy: 1.3604673549995747
Energy: 1.3382858539822973
Energy: 1.4511440073804027
Energy: 1.3340543152058153
Energy: 1.3440068396046219
Energy: 1.3713558684323546
Energy: 1.447513423702668
Energy: 1.3916953889634776
Energy: 1.345334283646954
Energy: 1.4249565433292442
Energy: 1.3360241055610045
Energy: 1.3984738523930862
Energy: 1.4589989268358716
Energy: 1.384272643552772
Energy: 1.2765944596632994
Energy: 1.345625604999565
Energy: 1.4761957570289943
Energy: 1.37238604125967
Energy: 1.4509739813436144
Energy: 1.4616369461713323
Energy: 1.3670644479180796
Energy: 1.3941882797486274
Energy: 1.3383489913807634
Energy: 1.3622837616788277
Energy: 1.383183115420187
Energy: 1.2764403466706222
Energy: 1.275447997727177
Energy: 1.409749310138919
Energy: 1.2735749012048116
Energy: 1.4006830639042536
Energy: 1.3608918198803548
Energy: 1.3809983824799734
Energy: 1.2749006930167137
Energy: 1.2750549479827038
Energy: 1.3840885480602998
Energy: 1.2755384235983336
Energy: 1.3619725558440392
Energy: 1.3699873357285384
Energy: 1.3652804443586055
Energy: 1.428869362430823
Energy: 1.4380068902791654
Energy: 1.2756106310638917
Energy: 1.363241200388168
Energy: 1.4072892426049144
Energy: 1.4413699550610433
Energy: 1.3983862986163194
Energy: 1.3486215443456704
Energy: 1.3645180710177462
Energy: 1.4464384789412357
Energy: 1.368993371200724
Energy: 1.335449062855329
Energy: 1.4384974193659914
Energy: 1.3809969171319938
Energy: 1.3463343364439821
Energy: 1.3702994948893317
Energy: 1.3677930043831754
Energy: 1.3575402406948203
Energy: 1.3635512459347885
Energy: 1.4432922986809953
Energy: 1.362597594408789
Energy: 1.4038567758895424
Energy: 1.4585046415585348
Energy: 1.4633526348305652
Energy: 1.3708700932726416
Energy: 1.346315173520256
Energy: 1.452978445112237
Energy: 1.3651102372179797
Energy: 1.4411420956366676
Energy: 1.4394218095251183
Energy: 1.3679598120926892
Energy: 1.2751261786532937
Energy: 1.3446591945891522
Energy: 1.361870884635301
Energy: 1.3379995224865806
Energy: 1.4090047287549436
Energy: 1.2740926353801374
Energy: 1.3843897199131026
Energy: 1.3883369922272035
Energy: 1.4018291199430277
Energy: 1.3625133765216972
Energy: 1.4016311385274522
Energy: 1.2763741041130308
Energy: 1.276584433014301
Energy: 1.4081468109119533
Energy: 1.2763452999847835
Energy: 1.4136814023402708
Energy: 1.4759952773802978
Energy: 1.3397140270106354
Energy: 1.4723015680534712
Energy: 1.3819326746213858
Energy: 1.3678468062078037
Energy: 1.274225621397366
Energy: 1.4086766821041445
Energy: 1.465136481032454
Energy: 1.3355540297770256
Energy: 1.34447707597081
Energy: 1.3652617300158136
Energy: 1.3863141078088455
Energy: 1.3583597300382682
Energy: 1.4042102005679704
Energy: 1.461491403057292
Energy: 1.3804437441342399
Energy: 1.345083741843418
Energy: 1.366842287815306
Energy: 1.3670106641102013
Energy: 1.359964804373368
Energy: 1.3377492849032953
Energy: 1.4511707810919987
Energy: 1.3343969290172404
Energy: 1.3440371832822844
Energy: 1.3615613984344592
Energy: 1.4501135366664355
Energy: 1.3927726049725992
Energy: 1.3450857586583027
Energy: 1.4279365517488782
Energy: 1.3366587541851316
Energy: 1.398653638127384
Energy: 1.3709558431951498
Energy: 1.3840830184395236
Energy: 1.277551779586113
Energy: 1.3455371787068977
Energy: 1.4756823058856652
Energy: 1.3715099485525144
Energy: 1.4506422278562545
Energy: 1.4605498553615064
Energy: 1.3670291428974568
Energy: 1.3950149086757642
Energy: 1.3393336821148545
Energy: 1.3622135020260857
Energy: 1.3834489586565735
Energy: 1.276495093392059
Energy: 1.2754036123602255
Energy: 1.4077885384637836
Energy: 1.2737227877423567
Energy: 1.4009804269467807
Energy: 1.3609736465313296
Energy: 1.4024666744464986
Energy: 1.274881724606943
Energy: 1.2751388696747583
Energy: 1.3844707808963068

minimum gb energy = 1.2735749012048116 eV
minimum distance =  2.24241725697659 Angstroms
sigma value = 21


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

Energy: 1.6226538011282465
Energy: 1.5468959703339804
Energy: 1.39637269644706
Energy: 1.7517515888979869
Energy: 1.3304798088223035
Energy: 1.4096745800838515
Energy: 1.5918271508944957
Energy: 1.3825501378242764
Energy: 1.3154828661351265
Energy: 1.5202722356637897
Energy: 1.3131588647834187
Energy: 1.4220206247921918
Energy: 1.632705457962104
Energy: 1.388458752894028
Energy: 1.4917556015558175
Energy: 1.3886628354839594
Energy: 1.3792215601760474
Energy: 1.3680266645132038
Energy: 1.6488746114269395
Energy: 1.4803111136674176
Energy: 1.5121488767865854
Energy: 1.3241436855894322
Energy: 1.3744727166683344
Energy: 1.4060853589530382
Energy: 1.374450699695639
Energy: 1.3053855128638625
Energy: 1.336789729982106
Energy: 1.5114074677295708
Energy: 1.316456410210547
Energy: 1.285489614244891
Energy: 1.3675386087029573
Energy: 1.3177787574202533
Energy: 1.2855383938315301
Energy: 1.3620771273995573
Energy: 1.3695321271962386
Energy: 1.288484087802477
Energy: 1.2996956697240472
Energy: 1.37227529151805
Energy: 1.3357640835645976
Energy: 1.3543811054014516
Energy: 1.3594146257360493
Energy: 1.3615574173140252
Energy: 1.3148198391962505
Energy: 1.3339567877476424
Energy: 1.3377704885084
Energy: 1.3381531236812936
Energy: 1.2876155296139362
Energy: 1.2881086182461206
Energy: 1.3802862372515776
Energy: 1.4201687796818847
Energy: 1.3183087208046573
Energy: 1.416558292089539
Energy: 1.3684902451618062
Energy: 1.3366865994537387
Energy: 1.3171162548255109
Energy: 1.369163645497188
Energy: 1.3550705964057126
Energy: 1.3157064196991641
Energy: 1.3656703042089386
Energy: 1.3733410555377092
Energy: 1.4409463100002056
Energy: 1.5124552187015985
Energy: 1.3803331179844307
Energy: 1.4832166106696325
Energy: 1.4410102365166944
Energy: 1.3829445827544338
Energy: 1.5231346747856052
Energy: 1.4034268031891808
Energy: 1.4099977705188163
Energy: 1.6337325152485984
Energy: 1.4060255666031607
Energy: 1.3797162416440076
Energy: 1.353259249521145
Energy: 1.376159860236118
Energy: 1.2871563593064377
Energy: 1.2922730230272823
Energy: 1.3596558030917996
Energy: 1.4201708509994684
Energy: 1.3123012313448084
Energy: 1.5334844188935617
Energy: 1.367722719176544
Energy: 1.592501502987955
Energy: 1.5950861683507236
Energy: 1.5327629694387652
Energy: 1.5910341777106665
Energy: 1.4710870762621797
Energy: 1.4230475656484936
Energy: 1.5363693532764884
Energy: 1.251115277149293
Energy: 1.356452282272495
Energy: 1.4210928548652373
Energy: 1.2934384710822329
Energy: 1.3247461486168342
Energy: 1.3543775183386428
Energy: 1.3805113059077747
Energy: 1.3294242805927179
Energy: 1.5398731154566998
Energy: 1.379761637853761
Energy: 1.4208348295816344
Energy: 1.3882499028462922
Energy: 1.5025335851712918
Energy: 1.3527463304655003
Energy: 1.6441146552025476
Energy: 1.6321469113984854
Energy: 1.3631267581499853
Energy: 1.5007080863292184
Energy: 1.3123317627980635
Energy: 1.4257499712558106
Energy: 1.3803026492080785
Energy: 1.2977214079363508
Energy: 1.3974105620350767
Energy: 1.5181023829031726
Energy: 1.3248222559429086
Energy: 1.3738709376724958
Energy: 1.3668820155244554
Energy: 1.3212485559196943
Energy: 1.3275380254482545
Energy: 1.3463722075644216
Energy: 1.369563146883157
Energy: 1.2882342305390724
Energy: 1.3664653067485306
Energy: 1.2859639013251845
Energy: 1.372617171359915
Energy: 1.284205549614513
Energy: 1.3563305355290305
Energy: 1.3376423436414022
Energy: 1.2902878309989345
Energy: 1.3236314593826104
Energy: 1.4505524522959516
Energy: 1.424436749738591
Energy: 1.2876348298086688
Energy: 1.2880610610301446
Energy: 1.3650347802856797
Energy: 1.3296795022107288
Energy: 1.3184783499160406
Energy: 1.4175489530729812
Energy: 1.3987189492940462
Energy: 1.3360948874129055
Energy: 1.318876971763061
Energy: 1.3692725775857433
Energy: 1.4124676253633488
Energy: 1.4023429053559429
Energy: 1.400550317832474
Energy: 1.4023156534624974
Energy: 1.318837191182267
Energy: 1.5129832315692582
Energy: 1.3814770620536936
Energy: 1.4812961074266118
Energy: 1.3506493729795797
Energy: 1.3822065556001413
Energy: 1.3870656378797788
Energy: 1.4015832638292198
Energy: 1.3519821516626636
Energy: 1.3703425722055782
Energy: 1.4841387871236853
Energy: 1.3141156515681227
Energy: 1.372607555900422
Energy: 1.5762796736003637
Energy: 1.2503051164798227
Energy: 1.3691580652495035
Energy: 1.4968525629801308
Energy: 1.4194769608076996
Energy: 1.315330599547556
Energy: 1.4651220347384424
Energy: 1.3541123397247303
Energy: 1.5908609044184565
Energy: 1.5905310856329347
Energy: 1.5370105415451234
Energy: 1.2928970183915374
Energy: 1.324909505044924
Energy: 1.5564913446261235
Energy: 1.3334175103952464
Energy: 1.3784638649344423
Energy: 1.37952581897709
Energy: 1.3916252512199159

minimum gb energy = 1.2503051164798227 eV
minimum distance =  2.27042087357973 Angstroms
sigma value = 113


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

Energy: 1.5874122368461294
Energy: 1.6289041351558575
Energy: 1.7180340584116691
Energy: 1.7214510258931377
Energy: 1.6882506795542467
Energy: 1.5803996095455044
Energy: 1.6293705136256853
Energy: 1.760373250224746
Energy: 1.7112981977567738
Energy: 1.6920090361310536
Energy: 1.3344738252177273
Energy: 1.6011754453490175
Energy: 1.6684540489087962
Energy: 1.410708823551372
Energy: 1.6033433739734655
Energy: 1.564396868350294
Energy: 1.6028444224649436
Energy: 1.5718728022507114
Energy: 1.6424423778874913
Energy: 1.5299178055399048
Energy: 1.5064701545989951
Energy: 1.5447954842893816
Energy: 1.6673086137746291
Energy: 1.5842521234610587
Energy: 1.6361303912063418
Energy: 1.61867523377745
Energy: 1.585871845212226
Energy: 1.7215630350271351
Energy: 1.509774526043819
Energy: 1.5636535493271522
Energy: 1.5671228881635177
Energy: 1.5574210926724834
Energy: 1.5200086683719927
Energy: 1.5137430882635334
Energy: 1.619192059601797
Energy: 1.4245952058417892
Energy: 1.529934255282012
Energy: 1.4542473173886858
Energy: 1.5125112044641666
Energy: 1.440144828176061
Energy: 1.4908528167031279
Energy: 1.4996688203677844
Energy: 1.5643428167708466
Energy: 1.5075709008550782
Energy: 1.454242723748348
Energy: 1.4262845702961364
Energy: 1.5307172275194483
Energy: 1.5290092598070002
Energy: 1.5160747827561725
Energy: 1.447120400487089
Energy: 1.4014275172029904
Energy: 1.3466076557560713
Energy: 1.3679994785191258
Energy: 1.5142631448324841
Energy: 1.4898623942932712
Energy: 1.446201030898386
Energy: 1.3075469597900002
Energy: 1.440318006419854
Energy: 1.4398448541912379
Energy: 1.3207978004832246
Energy: 1.4907725609619975
Energy: 1.4925123842979844
Energy: 1.481424600832016
Energy: 1.550839237106388
Energy: 1.4554633643179022
Energy: 1.399037245649929
Energy: 1.4095412272946155
Energy: 1.3623567128270344
Energy: 1.4057587252338777
Energy: 1.3467176678788926
Energy: 1.4118423345692772
Energy: 1.407379015376195
Energy: 1.313285266113531
Energy: 1.4494602248264534
Energy: 1.4021904953312962
Energy: 1.4550504826633746
Energy: 1.4773347637669534
Energy: 1.2972748660310074
Energy: 1.353695154180636
Energy: 1.6028709695707333
Energy: 1.5414782538385605
Energy: 1.4595538742707614
Energy: 1.5495028502451107
Energy: 1.436267686420254
Energy: 1.446272028882413
Energy: 1.3953789612488652
Energy: 1.4297982566997962
Energy: 1.5985345484894387
Energy: 1.4612388789439785
Energy: 1.441389560800396
Energy: 1.435505286629465
Energy: 1.5978089563686793
Energy: 1.418463786540599
Energy: 1.4182912465022253
Energy: 1.4609473171531342
Energy: 1.3649189603688883
Energy: 1.4815080750758467
Energy: 1.5161839419658198
Energy: 1.3615061081354964
Energy: 1.583293460071069
Energy: 1.496030322830815
Energy: 1.4007093710172835
Energy: 1.3666062388059181
Energy: 1.450622456724791
Energy: 1.57665788919677
Energy: 1.5142451444826779
Energy: 1.506093089611587
Energy: 1.4816043876427183
Energy: 1.5037577734331693
Energy: 1.5177860795142446
Energy: 1.5228269142930155
Energy: 1.6015364710746984
Energy: 1.4732037914075078
Energy: 1.5241315086673757
Energy: 1.5123567821149122
Energy: 1.5605388068940969
Energy: 1.5620647645870827
Energy: 1.5919123401566646
Energy: 1.591575245889743
Energy: 1.4397472734360488
Energy: 1.6065179674156622
Energy: 1.530228530432349
Energy: 1.62656322214571
Energy: 1.5501097332527618
Energy: 1.595861834741569
Energy: 1.6196405868111436
Energy: 1.47412058269982
Energy: 1.6990374380100792
Energy: 1.591564136841666
Energy: 1.5334621496265617
Energy: 1.5001654745291273
Energy: 1.5039980213602913
Energy: 1.5676242520501147
Energy: 1.579434773585346
Energy: 1.5690878793522318
Energy: 1.617013127307284
Energy: 1.7268673353770445
Energy: 1.6357187622404878
Energy: 1.5826390697549884
Energy: 1.4995902246477553
Energy: 1.6579678602758365
Energy: 1.565076723445312
Energy: 1.6113598352293952
Energy: 1.4787032433836833
Energy: 1.51278345926083
Energy: 1.516898462038619
Energy: 1.4826066235712037
Energy: 1.677044044347598
Energy: 1.6903548703862612
Energy: 1.5876918784287122
Energy: 1.6752731495321649
Energy: 1.6155756936661492
Energy: 1.518593017479305
Energy: 1.5678282222376387
Energy: 1.5120607401831843
Energy: 1.5749672229096172
Energy: 1.6081473463595215
Energy: 1.7036125429894462
Energy: 1.6783527426101716
Energy: 1.5819139997837433
Energy: 1.392716144863522
Energy: 1.7613152873234612
Energy: 1.7137112415133755
Energy: 1.5092932306380846
Energy: 1.4922727416299553
Energy: 1.4373859637351922
Energy: 1.3610911812886004
Energy: 1.4156140891535247
Energy: 1.4389945671434645
Energy: 1.5118594488036003
Energy: 1.6022459521638364
Energy: 1.7088725329710837
Energy: 1.6165619473995763
Energy: 1.6062544611078955
Energy: 1.5280175214012783
Energy: 1.545826961726553
Energy: 1.5309471653943
Energy: 1.5858186599126547
Energy: 1.5857463038674624
Energy: 1.62541778093147
Energy: 1.5846588939583781
Energy: 1.549344310029934
Energy: 1.5582933992600934
Energy: 1.6881546893948067
Energy: 1.5627602734630701
Energy: 1.5512139981667974
Energy: 1.4196806599915817
Energy: 1.5195092626676674
Energy: 1.6182686105817006
Energy: 1.4230714125268142
Energy: 1.5082837601258756
Energy: 1.4542677864913307
Energy: 1.4271098843787693
Energy: 1.469138054870786
Energy: 1.4943690688388445
Energy: 1.5382659010008612
Energy: 1.4606783845904336
Energy: 1.5123969557455517
Energy: 1.4768793879806994
Energy: 1.5936947673736435
Energy: 1.491373093053052
Energy: 1.467129300746912
Energy: 1.5716905119125477
Energy: 1.4468280636311366
Energy: 1.4009268496372271
Energy: 1.4298762336625306
Energy: 1.4272455180050418
Energy: 1.4571887606825669
Energy: 1.4087637703270874
Energy: 1.4628419888604132
Energy: 1.3098884454560153
Energy: 1.4401479333869822
Energy: 1.547764576867421
Energy: 1.400800312073366
Energy: 1.4848452724101286
Energy: 1.6044819487264992
Energy: 1.4806988664566543
Energy: 1.363113980631577
Energy: 1.4831893506056926
Energy: 1.3037948980131193
Energy: 1.410396361019762
Energy: 1.3656722069982126
Energy: 1.4709709880424802
Energy: 1.3554354420707708
Energy: 1.4802445539617821
Energy: 1.4001795275625513
Energy: 1.3192312627685834
Energy: 1.4414383562634145
Energy: 1.3557388749857908
Energy: 1.3694263193157008
Energy: 1.4733909300555026
Energy: 1.2949225681218135
Energy: 1.3519728571862668
Energy: 1.4938304277391237
Energy: 1.3632238109014598
Energy: 1.5446222072325535
Energy: 1.550629719836752
Energy: 1.4382609640323822
Energy: 1.4564608433631103
Energy: 1.3942656258553252
Energy: 1.4304236762154507
Energy: 1.5910493682187066
Energy: 1.3970087838103018
Energy: 1.4527959200140328
Energy: 1.358369610883161
Energy: 1.5971730280567566
Energy: 1.417343905664945
Energy: 1.4669644607244634
Energy: 1.4614343904782148
Energy: 1.3617406896612796
Energy: 1.4765958241261545
Energy: 1.5153661049788956
Energy: 1.3619403371918688
Energy: 1.5950084306717172
Energy: 1.438198666152371
Energy: 1.326857927808193
Energy: 1.3670845960700355
Energy: 1.446720583983758
Energy: 1.4163746057353355
Energy: 1.5113726806390326
Energy: 1.42378684432802
Energy: 1.4163467748860774
Energy: 1.4126650459345795
Energy: 1.4013029026711088
Energy: 1.521855511123826
Energy: 1.5969175415362236
Energy: 1.468613999509621
Energy: 1.5244821986337411
Energy: 1.5111719254886082
Energy: 1.5784021588397534
Energy: 1.5939447875869752
Energy: 1.509742632225873
Energy: 1.4985371441660027
Energy: 1.439811470625078
Energy: 1.6032999678596564
Energy: 1.5315153471956335
Energy: 1.6260547299199237
Energy: 1.5756825317041512
Energy: 1.5943352291902184
Energy: 1.5858640649588571
Energy: 1.6769817744006787
Energy: 1.6299547801272165
Energy: 1.4581051842698594
Energy: 1.5329819054646723
Energy: 1.4331443832057276
Energy: 1.5340308309232487
Energy: 1.5695154770959638
Energy: 1.589663039943333
Energy: 1.6676056044740724
Energy: 1.6140817108572945
Energy: 1.7259681427864595
Energy: 1.5137529278642343
Energy: 1.5815170558090588
Energy: 1.5326941362135695
Energy: 1.6596685452531152
Energy: 1.5703738614865366
Energy: 1.610953145108379
Energy: 1.6871357461015026
Energy: 1.3264130485682697
Energy: 1.3272411950490202
Energy: 1.4190962813346015
Energy: 1.6600275100324946
Energy: 1.6263687546685401
Energy: 1.6253031280378878
Energy: 1.6373473355526003
Energy: 1.513817465438773
Energy: 1.5189005853494768
Energy: 1.5635216133093361
Energy: 1.3000785218246176
Energy: 1.5628992019416652
Energy: 1.7069251732989843
Energy: 1.648951844570629
Energy: 1.6094483567266322
Energy: 1.5827063726027368
Energy: 1.3535841415502632

minimum gb energy = 1.2949225681218135 eV
minimum distance =  2.22179053083281 Angstroms
sigma value = 365


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

Energy: 1.4356951605799841
Energy: 1.3877795536499866
Energy: 1.387696017481343
Energy: 1.3918373994254827
Energy: 1.3946444283610264
Energy: 1.3880853258604247
Energy: 1.3879209008121753
Energy: 1.448840702460176
Energy: 1.6803055369435742
Energy: 1.382069286560316
Energy: 1.357885979549092
Energy: 1.3585232878718203
Energy: 1.382260501925886
Energy: 1.6858081336401114
Energy: 1.3830686639644425
Energy: 1.7118095020302009
Energy: 1.3789063857711619
Energy: 1.359225873939035
Energy: 1.3709220955303791
Energy: 1.3771649727260267
Energy: 1.3882951654813782
Energy: 1.3839767338160236
Energy: 1.7135294824190022
Energy: 1.3793645802562016
Energy: 1.3612088719929978
Energy: 1.3617059938737708
Energy: 1.3771775196695377
Energy: 1.393371770929057
Energy: 1.4487516063948556
Energy: 1.6836590324556404
Energy: 1.402612501666836
Energy: 1.687476185646986
Energy: 1.370809294380893
Energy: 1.4016159241977424
Energy: 1.6844984583632563
Energy: 1.3869214717954241
Energy: 1.7445436749800147
Energy: 1.365649380531663
Energy: 1.3931568167373438
Energy: 1.3965969532324007
Energy: 1.366039734873905
Energy: 1.3886383954664805
Energy: 1.3825698649653921
Energy: 1.711290160724812
Energy: 1.3811006363853924
Energy: 1.3571069076482278
Energy: 1.3570535183216876
Energy: 1.3800188221163416
Energy: 1.6820735304765146
Energy: 1.382625150014293
Energy: 1.7110779208665885
Energy: 1.3799610621188798
Energy: 1.3569527518655125
Energy: 1.372402286233343
Energy: 1.3784068486044097
Energy: 1.6773945210948273
Energy: 1.3869665481513884
Energy: 1.7479191094498558
Energy: 1.3789711431834784
Energy: 1.395615220503465
Energy: 1.4009316059889743
Energy: 1.3783004102465548
Energy: 1.3898390372905194
Energy: 1.4483033976067867
Energy: 1.678681684630556
Energy: 1.402612809358892
Energy: 1.6888588359316201
Energy: 1.7531989414730067
Energy: 1.4035676349402733
Energy: 1.6836333326310335
Energy: 1.3861978568946665
Energy: 1.7166240623227693
Energy: 1.3800281166557802
Energy: 1.398340941752516
Energy: 1.362792452828539
Energy: 1.3776026317558616
Energy: 1.3913235305092861
Energy: 1.3825602466877762
Energy: 1.7112423065472389
Energy: 1.3791888116919484
Energy: 1.3577567864161295
Energy: 1.3713867154474855
Energy: 1.3777492506984355
Energy: 1.7122291114520791
Energy: 1.3832819468065212
Energy: 1.6759498009508396
Energy: 1.3819347702373106
Energy: 1.3560555079086956
Energy: 1.3582348127196662
Energy: 1.3811822850839426
Energy: 1.6838074673165064
Energy: 1.3844730933994815
Energy: 1.7382799697504632
Energy: 1.364433387164259
Energy: 1.3924093916320164
Energy: 1.395362094240544
Energy: 1.3623386165619338
Energy: 1.3881855255748297
Energy: 1.4486659808367202
Energy: 1.683695207337769
Energy: 1.4022650381398314
Energy: 1.3584546293315087
Energy: 1.3591105847361782
Energy: 1.3791556213159044
Energy: 1.686449475588533
Energy: 1.3836027524667476
Energy: 1.7131975413253042
Energy: 1.3786621345656878
Energy: 1.3620540603871614
Energy: 1.3709716722018763
Energy: 1.3768247486002487
Energy: 1.3888596552077066
Energy: 1.3829067607267176
Energy: 1.711611185924997
Energy: 1.378849078990755
Energy: 1.360793107698481
Energy: 1.370495794812059
Energy: 1.376697574044661
Energy: 1.388393471124644
Energy: 1.4486733482184417
Energy: 1.6847642173514854
Energy: 1.3791034951882484
Energy: 1.3590626024679313
Energy: 1.3594237232662432
Energy: 1.3783066533495076
Energy: 1.6849553821893422
Energy: 1.3862132061330015
Energy: 1.709604897743188
Energy: 1.3616791091544798
Energy: 1.3919117660854703
Energy: 1.3948229389857845
Energy: 1.362377942082582
Energy: 1.3879833541506261
Energy: 1.3843586029681079
Energy: 1.680121839157013
Energy: 1.382237464753762
Energy: 1.3572190537137399
Energy: 1.3584270661664208
Energy: 1.3818801352397263
Energy: 1.6846322448985325

minimum gb energy = 1.3560555079086956 eV
minimum distance =  2.30813993265491 Angstroms
sigma value = 23