Model name: model_name=Sim_LAMMPS_EAM_EichBeinkeSchmitz_2015_FeCr__SM_731771351835_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.855312466621399
cohesive_energy=4.013297947344727
mass=55.845
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=[1.28468931220656e-19, 2.13235290395694e-19, 2.82981243626982e-19, 3.44538472081896e-19, 3.9416749549667997e-19, 4.3340480126333994e-19, 4.644790170797699e-19, 4.8980141878014e-19, 5.11546160056788e-19, 5.310029931000839e-19, 5.4859168818813595e-19, 5.6435870844333e-19, 5.78328086515176e-19, 5.9057192035220395e-19, 6.0120877102533e-19, 6.10400458374588e-19, 6.182879739437699e-19, 6.249994918635959e-19, 6.30611916612498e-19, 6.351572917231559e-19, 6.386404237254719e-19, 6.410773343857859e-19, 6.424952607068759e-19, 6.429502788709319e-19, 6.424712280573659e-19, 6.40952364608334e-19, 6.38268718746384e-19, 6.342744923978219e-19, 6.28793446132908e-19, 6.216221035191239e-19, 6.1252814894454e-19, 6.01242416734644e-19, 5.87471708565414e-19, 5.705367015440339e-19, 5.49139632596964e-19, 5.217504230387339e-19, 4.86305469364752e-19, 4.40947848856212e-19, 3.8431410919757993e-19, 3.14641856091456e-19, 2.2907120424615e-19, 1.206233926792848e-19, -3.24435961855098e-20, -2.6284028116096796e-19, -6.3238712832297e-19, -1.2523461724960019e-18, -2.3323365914128198e-18, -4.32190351374768e-18, -8.31436746801228e-18, -1.71346382299764e-17, -3.8891075396052596e-17, -8.800355706403499e-17, -1.66046381994492e-16, -3.0192698232403196e-16]
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: 0.014035641532340897
Energy: 0.014281490265182122
Energy: 0.09087243818287138
Energy: 0.0923619124678004
Energy: 0.1084663072543106
Energy: 0.08984164807967826
Energy: 0.10439320482885818
Energy: 0.09117252307071498
Energy: 0.09262676981222479
Energy: 0.01682639014447498
Energy: 0.8662589102821899
Energy: 0.09000606958051219
Energy: 0.10424782320603686
Energy: 0.014897770397461997
Energy: 0.015276018507255143
Energy: 0.09564810443242891
Energy: 0.09007215783125845
Energy: 0.10348023771950898
Energy: 0.09016153212299638
Energy: 0.10626604216433674
Energy: 0.09043794351534597
Energy: 0.09024579958158907
Energy: 0.10334849529168447
Energy: 0.01763006638496867
Energy: 0.09257709776452058
Energy: 0.08985422022478975
Energy: 0.016099753097410487
Energy: 0.014569693158950087
Energy: 0.10351906416691879
Energy: 0.09105195109637086
Energy: 0.015643851078388588
Energy: 0.10563268856400852
Energy: 0.09002021222602602
Energy: 0.09027740968518995
Energy: 0.09300309752005148
Energy: 0.08976687086705377
Energy: 0.015035857758967593
Energy: 0.014898548952331144
Energy: 0.09007903449745305
Energy: 0.014321538104879461
Energy: 0.01616250806851766
Energy: 0.0939913740884442
Energy: 0.09080929883590291
Energy: 0.01528316223069662
Energy: 0.014205982715311462
Energy: 0.08981077162011251
Energy: 0.09266887227187946
Energy: 0.09145282579903832
Energy: 0.0898719171329723
Energy: 0.014112727750678348
Energy: 0.09005071619169559
Energy: 0.09268355185415462
Energy: 0.10696820934867496
Energy: 0.01482831004356636
Energy: 0.01431525483201343
Energy: 0.09072516449218683
Energy: 0.014679408586454354
Energy: 0.015799445006143217
Energy: 0.1046451739788358
Energy: 0.09003265421191538
Energy: 0.014248021554790909
Energy: 0.10431691973618416
Energy: 0.08981005047458168
Energy: 0.10429278404597986
Energy: 0.09031724737973999
Energy: 0.0897610247286715
Energy: 0.014616459111774305
Energy: 0.016105996481408903
Energy: 0.10353707172171465
Energy: 0.09150387373727853

minimum gb energy = 0.014035641532340897 eV
minimum distance =  2.47113778786976 Angstroms
sigma value = 3


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

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Energy: 1.3804954530478883
Energy: 1.359313359958308
Energy: 1.4030968681459268
Energy: 1.352004417844096
Energy: 1.3351301568017815
Energy: 1.3439493071965145
Energy: 1.4060958716238492
Energy: 1.3677339506086132
Energy: 1.4731384200909317
Energy: 1.4361603287885063
Energy: 1.34600019776956
Energy: 1.3535331907501922
Energy: 1.3127438377815623
Energy: 1.3992854870570715
Energy: 1.3176712311046652
Energy: 1.3672379717086194
Energy: 1.3665128283563188
Energy: 1.312215371755522
Energy: 1.3456948945628329
Energy: 1.3115053104802805
Energy: 1.2824763964691426
Energy: 1.348809092763734
Energy: 1.323692690336844
Energy: 1.3853365700551907
Energy: 1.3457834823249057
Energy: 1.3106501909868107
Energy: 1.2649778289839968
Energy: 1.34231227864393
Energy: 1.34285667943436
Energy: 1.5032904044661368
Energy: 1.2737036059988858
Energy: 1.3514064942229869
Energy: 1.3125916419761252
Energy: 1.294230869357633
Energy: 1.3594768887263156
Energy: 1.375804668347493
Energy: 1.3394378380957284
Energy: 1.2989818512760185
Energy: 1.3011822957449446
Energy: 1.4962563972414018
Energy: 1.3530111176169426
Energy: 1.521712000098857
Energy: 1.5130881593815169
Energy: 1.2797646195344956
Energy: 1.3545453062845534
Energy: 1.3717067615765441
Energy: 1.3059530093797884
Energy: 1.30561238565392
Energy: 1.2738784409937032
Energy: 1.3612672440003346
Energy: 1.297397521054447
Energy: 1.3094171817139155
Energy: 1.2791165099034802
Energy: 1.5199901909160496
Energy: 1.3528283532131327
Energy: 1.4497384514531972
Energy: 1.2674902850044178
Energy: 1.308347398397328
Energy: 1.293099186629321
Energy: 1.3514420860112053
Energy: 1.3048522085620493
Energy: 1.2649625885654894
Energy: 1.2894614794374992
Energy: 1.2812040141385792
Energy: 1.2821528906609614
Energy: 1.2703921940758336
Energy: 1.4405019580853424
Energy: 1.3321145991533603
Energy: 1.349178885965261
Energy: 1.3647232566126528
Energy: 1.3877585610672816
Energy: 1.2906709282628852
Energy: 1.2851638518771287
Energy: 1.3281568867199196
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Energy: 1.2811995468075572
Energy: 1.3914037378458073
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Energy: 1.2634926214221014
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Energy: 1.3621259104754526
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Energy: 1.2926550824139116
Energy: 1.2996273228504898
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Energy: 1.278155841545394
Energy: 1.3759884292503173
Energy: 1.3440028325647222
Energy: 1.261044896281722
Energy: 1.3392720180169826
Energy: 1.438417015350676
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Energy: 1.283721436283942
Energy: 1.2902707458441314
Energy: 1.2809942798511007
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Energy: 1.320083339226732
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Energy: 1.3428739375111682
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Energy: 1.2956592828278517
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Energy: 1.3464198955175335
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Energy: 1.378956144816409
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Energy: 1.277174376365126
Energy: 1.425731446477637
Energy: 1.5485306014940543
Energy: 1.3432883380865426
Energy: 1.4061741550973461
Energy: 1.2657896832917082
Energy: 1.327697348414394
Energy: 1.345764578768314
Energy: 1.3823884158673334
Energy: 1.2926511927749014
Energy: 1.3060233348269918
Energy: 1.442806848390677
Energy: 1.3293743022889004
Energy: 1.3211568034133523
Energy: 1.4403420771789108
Energy: 1.3680766436935392
Energy: 1.524121444288668
Energy: 1.2715488375008066
Energy: 1.3668379413622291
Energy: 1.3910472179746265
Energy: 1.3376301211021784
Energy: 1.327858420160697
Energy: 1.3239704329326991
Energy: 1.311531750283167
Energy: 1.3407586331726267
Energy: 1.3566484728206794
Energy: 1.3852797948305686
Energy: 1.446610058922728
Energy: 1.3123696218525738
Energy: 1.2676024356480275
Energy: 1.311547107982639
Energy: 1.3279323853159617
Energy: 1.3204451631924883
Energy: 1.3144895590052053
Energy: 1.2667358908445452
Energy: 1.3661626272596628
Energy: 1.3869006733481077
Energy: 1.4032222185920784
Energy: 1.3149752554001761
Energy: 1.326477465481762
Energy: 1.4149708764763693
Energy: 1.3640463862831373
Energy: 1.3635181385616322
Energy: 1.2808634536749819
Energy: 1.420395907247462
Energy: 1.2636694625939882
Energy: 1.3656546590692555
Energy: 1.6046255388538933
Energy: 1.3116325283422627
Energy: 1.3274258314260232
Energy: 1.319643160097513
Energy: 1.283219354821959
Energy: 1.352711470230718
Energy: 1.369087245380634
Energy: 1.2903169409365227
Energy: 1.3081238218663978
Energy: 1.2632406223203947
Energy: 1.5021968888594914
Energy: 1.2901279036069082
Energy: 1.5075117100824047
Energy: 1.4234808558218683
Energy: 1.2731877468579467
Energy: 1.3621200661714958
Energy: 1.4458653356090705
Energy: 1.2636178420493762
Energy: 1.3037997855968813
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Energy: 1.3880507323388096
Energy: 1.2905082249260018
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Energy: 1.2676395758240009
Energy: 1.517304333681239
Energy: 1.442466156824089
Energy: 1.2636896352597466
Energy: 1.4417783624736489
Energy: 1.3146627184881317
Energy: 1.327937112837482
Energy: 1.3516335393257748
Energy: 1.300679978976248
Energy: 1.2744746205409458
Energy: 1.3004968892277062
Energy: 1.2887648875938031
Energy: 1.3036691241554863
Energy: 1.2733416776236943
Energy: 1.3810391405928766
Energy: 1.4509046886017527
Energy: 1.2680681353451748
Energy: 1.3481806991134144
Energy: 1.2665009225205868
Energy: 1.286172622181648
Energy: 1.2846591180388323
Energy: 1.3208572736904685
Energy: 1.305187843416854
Energy: 1.2827450662025608
Energy: 1.380015496859387
Energy: 1.3451791569672438
Energy: 1.2677400600612265
Energy: 1.4427185590929013
Energy: 1.375681312562765
Energy: 1.2787464096708079
Energy: 1.2976602861792579
Energy: 1.2616424493799172
Energy: 1.2862033056827327
Energy: 1.2927170984325547
Energy: 1.2725397452013203
Energy: 1.267585058607151
Energy: 1.3433274070952972
Energy: 1.3503168329663644
Energy: 1.444748851102439
Energy: 1.2671891811551057
Energy: 1.268458601617198
Energy: 1.3255397988397188
Energy: 1.363459121461822
Energy: 1.2861099993621399
Energy: 1.3054754878730814
Energy: 1.304874688675104
Energy: 1.2959215936014286
Energy: 1.3088690752266818
Energy: 1.2640586866326873
Energy: 1.4453328057144992
Energy: 1.3536792817438612
Energy: 1.4495344421090424
Energy: 1.5712344606327333
Energy: 1.3243883190032717
Energy: 1.3004140255681538
Energy: 1.3144794245731044
Energy: 1.2844260803328666
Energy: 1.3040686481229755
Energy: 1.295307285255748
Energy: 1.4123021233882487
Energy: 1.3502637220511007
Energy: 1.3113491273902338
Energy: 1.4211956178415412
Energy: 1.4824886827059758
Energy: 1.4814994227492135
Energy: 1.527911258930393
Energy: 1.2595128705400238
Energy: 1.3106795564390132
Energy: 1.3505858896897247
Energy: 1.3290886410079625
Energy: 1.324353477740406
Energy: 1.3039618349579125
Energy: 1.4345458537119844
Energy: 1.3484913570423862
Energy: 1.2667798934029817
Energy: 1.337966642964127
Energy: 1.3272413772929188
Energy: 1.4900051916441173
Energy: 1.4757129525082218
Energy: 1.2660079455918793
Energy: 1.3506819590777923
Energy: 1.299247907929446
Energy: 1.4879605702564973
Energy: 1.3452519118250699
Energy: 1.3235157775548103
Energy: 1.3419364466387775
Energy: 1.3574899838517263
Energy: 1.341530127156501
Energy: 1.3446991170249776
Energy: 1.4641288668541914
Energy: 1.3059882597714887
Energy: 1.3024306273497441

minimum gb energy = 1.2595128705400238 eV
minimum distance =  2.21778256380412 Angstroms
sigma value = 75


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

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Energy: 1.4132443145298044
Energy: 1.4087510178295943
Energy: 1.4461038260325
Energy: 1.3946807062244702
Energy: 1.4314659848468179
Energy: 1.4580334466246299
Energy: 1.4534406549406398
Energy: 1.398671612503026
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Energy: 1.4861125587376853
Energy: 1.3813634947573994
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Energy: 1.4139019957905006
Energy: 1.4410527893800769
Energy: 1.3800103534807553
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Energy: 1.4185478248844143
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Energy: 1.3938128918909753
Energy: 1.4981593336545151
Energy: 1.4111669651830188
Energy: 1.38673226465034
Energy: 1.4046596877748516
Energy: 1.4523695549875641
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Energy: 1.4644314030953218
Energy: 1.3513353006500564
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Energy: 1.3688134754269734
Energy: 1.4722852525323638
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Energy: 1.4837348870766913
Energy: 1.4258304770245207
Energy: 1.4728769921858036
Energy: 1.4979236641132714
Energy: 1.4387238802516955
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Energy: 1.3576348164185494
Energy: 1.381660178736803
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Energy: 1.4531500205818417
Energy: 1.4108737935410405
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Energy: 1.355598379986781
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Energy: 1.517927161220311
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Energy: 1.423387242683247
Energy: 1.491782554571234
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Energy: 1.3607956384376225
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Energy: 1.3658823759821337
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Energy: 1.363178143418386
Energy: 1.370645530550806
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Energy: 1.3907090547514795
Energy: 1.3643876862735624
Energy: 1.3668302189812902
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Energy: 1.351417761603168
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Energy: 1.434347971626937
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Energy: 1.3761446929566417
Energy: 1.3604171165720664
Energy: 1.3646353391369443
Energy: 1.3706046633240148
Energy: 1.4141977213725876
Energy: 1.4398679166514559
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Energy: 1.3568285203340804
Energy: 1.3732204798414414
Energy: 1.3701264372414228
Energy: 1.4071028518528013
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Energy: 1.362404256969167
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Energy: 1.3948406172372265
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Energy: 1.3983075717751297
Energy: 1.471994112061526
Energy: 1.49700381682254
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Energy: 1.4385614517920045
Energy: 1.390938106922624
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Energy: 1.3855178740057172
Energy: 1.373441773640502
Energy: 1.5023763178337555
Energy: 1.5317083407195906
Energy: 1.4909800983247732
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minimum gb energy = 1.325700185194294 eV
minimum distance =  2.20855924622273 Angstroms
sigma value = 105


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

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Energy: 1.4045789355297122
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Energy: 1.3789043036286432
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Energy: 1.4391721656460341
Energy: 1.376333671943908
Energy: 1.3763015420061087
Energy: 1.3966834381172444
Energy: 1.4548537494341094
Energy: 1.4123671944593288
Energy: 1.4109934267604796
Energy: 1.472218149759662
Energy: 1.4371939418047788
Energy: 1.4772823202339986
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Energy: 1.3829062107605592
Energy: 1.3402587778521977
Energy: 1.3514162132871177
Energy: 1.398048855671284
Energy: 1.432443841932679
Energy: 1.390968461523953
Energy: 1.4394318946132705
Energy: 1.4565235056803985
Energy: 1.4489737998604169
Energy: 1.3476595180858235
Energy: 1.384888230324945
Energy: 1.3402864132297736
Energy: 1.3527160301525847
Energy: 1.3725160755953514
Energy: 1.3695800862130185
Energy: 1.3830538688751566
Energy: 1.3470755169988502
Energy: 1.4051676026857034
Energy: 1.4238029948308002
Energy: 1.3541638444357011
Energy: 1.3752501164999145
Energy: 1.353069295217762
Energy: 1.3587117513063278
Energy: 1.3377775108138636
Energy: 1.3667917760010806
Energy: 1.3868343716841254
Energy: 1.372794552232923
Energy: 1.4506861095505956
Energy: 1.3719487951943738
Energy: 1.422845945160961
Energy: 1.3389697608387008
Energy: 1.4966050806076767
Energy: 1.3543710205938297
Energy: 1.3546783278320018
Energy: 1.3481432904388437
Energy: 1.4088306902617858
Energy: 1.4853713819253376
Energy: 1.4120637238622675
Energy: 1.4137336139957937
Energy: 1.4215869700222796
Energy: 1.5563606471894575
Energy: 1.556212969021444
Energy: 1.4253930712155845
Energy: 1.4213054230297602
Energy: 1.3405670145627402
Energy: 1.508631617385129
Energy: 1.3449582481330895
Energy: 1.3594608197608695
Energy: 1.3729197835273814
Energy: 1.4773318939080204
Energy: 1.4206057616100551
Energy: 1.424886186447289
Energy: 1.5121789667145078
Energy: 1.462646960466108
Energy: 1.3040644931902294

minimum gb energy = 1.2756056064426797 eV
minimum distance =  2.25838894704763 Angstroms
sigma value = 165


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

Energy: 1.5326740960927425
Energy: 1.2569978485536082
Energy: 1.318571450036915
Energy: 1.302620813538269
Energy: 1.328643942974065
Energy: 1.2929572686951147
Energy: 1.3332465614734983
Energy: 1.317933908727892
Energy: 1.3075757968977162
Energy: 1.25916180225049
Energy: 1.3391081876323965
Energy: 1.5335005112293274
Energy: 1.529303527780238
Energy: 1.6002364571610785
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Energy: 1.2912528815174547
Energy: 1.298849869516191
Energy: 1.2920297824189237
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Energy: 1.3285639663602458
Energy: 1.3064086838042435
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Energy: 1.3844533932865843
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Energy: 1.311069714531094
Energy: 1.3764431525648264
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Energy: 1.6039895650690783
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Energy: 1.6045295203346603
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Energy: 1.3094771231744482
Energy: 1.2938479458780974
Energy: 1.291671957933433
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Energy: 1.3178199951546463
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Energy: 1.5769026531059647
Energy: 1.3931595952520306
Energy: 1.34443884666722
Energy: 1.3279465572308549
Energy: 1.3063359562479824
Energy: 1.3523152746179556
Energy: 1.3288394603096048
Energy: 1.3004514938796
Energy: 1.3132044394147389
Energy: 1.2982649836127382
Energy: 1.3451087967353588
Energy: 1.3580393570831288
Energy: 1.3074070278135395
Energy: 1.3810090409021092
Energy: 1.353958547484166
Energy: 1.3433526060066885
Energy: 1.3114331457598873
Energy: 1.3008243671569053
Energy: 1.3136627957692792
Energy: 1.3199043532505406
Energy: 1.3657762635696309
Energy: 1.3501946411941554
Energy: 1.3151565196362198
Energy: 1.338178881651407
Energy: 1.3382587701709499
Energy: 1.3036375854455422
Energy: 1.292176715052613
Energy: 1.303909429625702
Energy: 1.3274654198551474
Energy: 1.3205446823299687
Energy: 1.3612067703176312
Energy: 1.28995794383571
Energy: 1.3714324823919894
Energy: 1.3593462332520108
Energy: 1.6183920661840796
Energy: 1.2925707711406556
Energy: 1.2942533400495406
Energy: 1.3098165510598403
Energy: 1.3392710234103138
Energy: 1.3249714418277059
Energy: 1.3059603464186764
Energy: 1.3169196882524756
Energy: 1.3275275448277961
Energy: 1.3601467331873776
Energy: 1.329709182124202
Energy: 1.4106872705766202
Energy: 1.306968315201571
Energy: 1.5486710175393956

minimum gb energy = 1.2569978485536082 eV
minimum distance =  2.21822524234037 Angstroms
sigma value = 41


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

Energy: 2.818534626754751
Energy: 1.3172809083080745
Energy: 1.4183361299129267
Energy: 1.3240864768173093
Energy: 1.2426928363711631
Energy: 1.3129902839772698
Energy: 1.3353231805758945
Energy: 1.4220955432715434
Energy: 1.4189987701696294
Energy: 1.2601067331323983
Energy: 1.2109792681056277
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Energy: 1.2740481880648855
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Energy: 1.320075786170052
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Energy: 1.2287107447887122
Energy: 1.3385028252646904
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Energy: 1.3429386862423422
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Energy: 1.3738964065809904
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Energy: 1.2613871797166896
Energy: 1.3308208049820243
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Energy: 1.3081101319242854
Energy: 1.2286494313813672
Energy: 1.3372186143207332
Energy: 1.3643126648037254
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Energy: 1.458783753457108
Energy: 1.3564273263142077
Energy: 1.3305833843891883
Energy: 1.2420368327171134
Energy: 1.260357629895696
Energy: 1.4222554666788385
Energy: 1.3832640644530723
Energy: 1.331989136837807
Energy: 1.2610373795324337
Energy: 1.2113035661272982
Energy: 1.2730220087182516
Energy: 1.5144592101904586
Energy: 1.3402892895419447
Energy: 1.2573204144879977
Energy: 1.43081409016912
Energy: 1.3556005522165995
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Energy: 1.3345295414878675
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Energy: 1.2702846689635998
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Energy: 1.262980478265062
Energy: 1.2423182809397189
Energy: 1.3047116354201453
Energy: 1.3510979076867318
Energy: 1.402849209330399
Energy: 1.3281525818843876
Energy: 1.3599453045264678
Energy: 1.3531459165640187
Energy: 1.3312471121526237
Energy: 1.2898959676715065
Energy: 1.2781229269874614
Energy: 1.2632003315168616
Energy: 1.1986622935725848
Energy: 1.1919319454279487
Energy: 1.1634277796493804
Energy: 1.2459510445222326
Energy: 1.3167017491686124
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Energy: 1.3313315503162162
Energy: 1.230305502813156
Energy: 1.2304161535528257
Energy: 1.1774681027223193
Energy: 1.1856592290692525
Energy: 1.1640881576585207
Energy: 1.3360945312188406
Energy: 1.4244295569832315
Energy: 1.2299981922442176
Energy: 1.3415293478964583
Energy: 1.3726401659827385
Energy: 1.361828069692146
Energy: 1.3778727582337351
Energy: 1.1653745052489661
Energy: 1.18079178668989
Energy: 1.3285228358399743
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Energy: 1.461135582765337
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Energy: 1.3596983369007531
Energy: 1.2562073429120075
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Energy: 1.2647650005066988
Energy: 1.452839693217672
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Energy: 1.1696695107791277
Energy: 1.2287729664396787
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Energy: 1.2769030819473468
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Energy: 1.3348397675738588
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Energy: 1.3046176609593199
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Energy: 1.3742582310130975
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Energy: 1.3048320200696077
Energy: 1.3031689585734119
Energy: 1.3127793350668593
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Energy: 1.2778910005539934
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Energy: 1.286733158092841
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Energy: 1.3111931632994072
Energy: 1.4014315163539053
Energy: 1.434361151796128
Energy: 1.3044887016033704
Energy: 1.227753125273135
Energy: 1.2005529605525056
Energy: 1.1671132892857803
Energy: 1.1650017141822937
Energy: 1.2795695498372117
Energy: 1.340363445984576
Energy: 1.3174953453073976
Energy: 1.3625606177561422
Energy: 1.3855104748272067
Energy: 1.2280447428681853
Energy: 1.2283407825711108
Energy: 1.162911189134483
Energy: 1.3199333995478362
Energy: 1.2924230376266335
Energy: 1.2679607753907602
Energy: 1.261990197881948
Energy: 1.4427539519740178
Energy: 1.452857145286815
Energy: 1.3115512720153066
Energy: 1.2577747521324765
Energy: 1.3708985845808248
Energy: 1.2333257276287632
Energy: 1.360942312061988
Energy: 1.3367919391250633
Energy: 1.2648242999091233
Energy: 1.256563036202417
Energy: 1.391107596594474
Energy: 1.4129034243819474
Energy: 1.3331142033070402
Energy: 1.1662678532324116
Energy: 1.2283306617767131
Energy: 1.3856590543391762
Energy: 1.3087845511675333
Energy: 1.2600139989023649
Energy: 1.328069702870403
Energy: 1.2669248676812332
Energy: 1.307826185540711
Energy: 1.2323378190235226
Energy: 1.1653413237527934
Energy: 1.16357132565256
Energy: 1.2302988194356332
Energy: 1.3359483818039148
Energy: 1.2727493879146785
Energy: 1.2607997218507188
Energy: 1.2571853975570264
Energy: 1.3301295724838549
Energy: 1.3332476050828381
Energy: 1.4632567808535974
Energy: 1.3072866498325704
Energy: 1.2434050330220234
Energy: 1.2624355272303787
Energy: 1.2799507427011874
Energy: 1.2711445101399188
Energy: 1.2495475804226863
Energy: 1.255377534305943
Energy: 1.2603510336316621
Energy: 1.3395750409267486
Energy: 1.416660665790265
Energy: 1.3901842914166038
Energy: 1.341139319296203
Energy: 1.2270261807827882
Energy: 1.2627347630005685
Energy: 1.2848879329371514
Energy: 1.2541240745165323
Energy: 1.3063532644543248
Energy: 1.3366787059373497
Energy: 1.2590494687600613
Energy: 1.4331644084810504
Energy: 1.3743663970166804
Energy: 1.3040811786844297
Energy: 1.2307163352796915
Energy: 1.2525105470788214
Energy: 1.2108572435361005
Energy: 1.3652487555875157
Energy: 1.3399145089875957
Energy: 1.3282297072636446
Energy: 1.3724956949217793
Energy: 1.3474659442036103
Energy: 1.303136728161979
Energy: 1.3737263938815796
Energy: 1.4296224800434802
Energy: 1.3119999377373381

minimum gb energy = 1.1522545345027888 eV
minimum distance =  2.23700697009795 Angstroms
sigma value = 185


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

Energy: 2.528716483533696
Energy: 1.3149117453913917
Energy: 1.3881089429602964
Energy: 1.329247465848278
Energy: 1.3571343554363262
Energy: 1.432814609028551
Energy: 1.4862806861832019
Energy: 1.3946420185636872
Energy: 1.383814337312912
Energy: 1.2266344750959355
Energy: 1.4107205185819496
Energy: 1.5459029737969021
Energy: 1.314859244467276
Energy: 1.2306931514661201
Energy: 1.2308839289939806
Energy: 1.3102912447008146
Energy: 1.450085993140021
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Energy: 1.4751441131280554
Energy: 1.3827433897158872
Energy: 1.3779365824540601
Energy: 1.3439481028032754
Energy: 1.3458605667793866
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Energy: 1.5054774298496842
Energy: 1.3878773613278945
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Energy: 1.230334920240944
Energy: 1.235823756417269
Energy: 1.2498989357422743
Energy: 1.2511858009145294
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Energy: 1.3414126635246548
Energy: 1.3420204105109539
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Energy: 1.377824128054572
Energy: 1.3453458670505773
Energy: 1.2509052845796755
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Energy: 1.183704456045292
Energy: 1.2342834256432746
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Energy: 1.466701179911546
Energy: 1.3943401833528404
Energy: 1.3867209202725528
Energy: 1.489396741109639
Energy: 1.418405951233917
Energy: 1.3441538477989714
Energy: 1.3402331342513731
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Energy: 1.4444640662318515
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Energy: 1.4929188358830716
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Energy: 1.4936907223320015
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Energy: 1.3530735390605226
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Energy: 1.4846061439333178
Energy: 1.4906744804268401
Energy: 1.2791941583800293
Energy: 1.2390973287124636
Energy: 1.2630332076197284
Energy: 1.3414426684890708
Energy: 1.357111260474417
Energy: 1.1891948071288136
Energy: 1.226825281468441
Energy: 1.4059100016379085
Energy: 1.4841714336681227
Energy: 1.498992928234463
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Energy: 1.3166528196366278
Energy: 1.351719007938106
Energy: 1.3520231118800794
Energy: 1.2998105084130616
Energy: 1.259505078138112
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Energy: 1.2338660301124516
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Energy: 1.4115119072467117
Energy: 1.485233203809424
Energy: 1.34539183869855
Energy: 1.3540806026047048
Energy: 1.3559342287679355
Energy: 1.4796339864537624
Energy: 1.480468995865802
Energy: 1.4079039160936149
Energy: 1.3548237448377614
Energy: 1.411137694298324
Energy: 1.1381503716770514
Energy: 1.1760808962817855
Energy: 1.232000286180132
Energy: 1.4454134985072882
Energy: 1.1841162286391325
Energy: 1.2341355325533576
Energy: 1.4805202090553495
Energy: 1.4764599718068687
Energy: 1.3788331961939495
Energy: 1.3892972944914643
Energy: 1.4659395724440576
Energy: 1.4759749903461414
Energy: 1.179264256419941
Energy: 1.4032365543033558
Energy: 1.4109468622693924
Energy: 1.4888919056832577
Energy: 1.4241294260782036
Energy: 1.2293372897999846
Energy: 1.2263251904322805
Energy: 1.264072767534785
Energy: 1.2549880297361133
Energy: 1.358749343281299
Energy: 1.3317862786895787
Energy: 1.3684260478576442
Energy: 1.4257240093726566
Energy: 1.468266480054743
Energy: 1.483789658208936
Energy: 1.381071481973027
Energy: 1.2285089181250413
Energy: 1.2555275241390902
Energy: 1.2553089062335288
Energy: 1.2549337906739533
Energy: 1.2552508837482903
Energy: 1.3156233876083667
Energy: 1.233136896096932
Energy: 1.2346904539708412
Energy: 1.3390784818287433
Energy: 1.5254919805540843
Energy: 1.3790802525357624
Energy: 1.3836073320876787
Energy: 1.3347807428851306
Energy: 1.3281133616978593
Energy: 1.2380823562774355
Energy: 1.3076726516308061
Energy: 1.419212033366521
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Energy: 1.2626919457696422
Energy: 1.3095978243331632
Energy: 1.4067314106659177
Energy: 1.5084503189321883
Energy: 1.471145326992972
Energy: 1.3305038898515675
Energy: 1.3069259733564387
Energy: 1.4796640999240394
Energy: 1.4502515926755577
Energy: 1.5021834159601914
Energy: 1.4759054112982106
Energy: 1.383028151881374
Energy: 1.4096892016660552
Energy: 1.3332058989014919
Energy: 1.3223548898668949
Energy: 1.3901609051404684
Energy: 1.3107778766388107
Energy: 1.31785943302745
Energy: 1.5235873830676607
Energy: 1.425610663266434
Energy: 1.387822820948246
Energy: 1.2347252708571415
Energy: 1.378374879793369
Energy: 1.4777243695199371
Energy: 1.3446511021126832
Energy: 1.4755856027102265
Energy: 1.2636325561550814
Energy: 1.5087203698145313
Energy: 1.4721633383209656
Energy: 1.4847868147957097
Energy: 1.2314046400394087
Energy: 1.2716162743706723
Energy: 1.249457594111079
Energy: 1.2506285652628994
Energy: 1.333963019394882
Energy: 1.3419400834268354
Energy: 1.3815915528234797
Energy: 1.3578672900804158
Energy: 1.3995396365798691
Energy: 1.4690518830216341
Energy: 1.3973733949959064
Energy: 1.3911999582473598
Energy: 1.2501977100892638
Energy: 1.2508830584475397
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Energy: 1.2355245755349364
Energy: 1.181052113163749
Energy: 1.2328766791406391
Energy: 1.2341787537136837
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Energy: 1.4126922714217707
Energy: 1.4854218658112244
Energy: 1.3380356846088495
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Energy: 1.3398221676879445
Energy: 1.1818543263772134
Energy: 1.4908948132898143
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Energy: 1.4111282989578169
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Energy: 1.227758910026297
Energy: 1.240055450964305
Energy: 1.3758209849390142
Energy: 1.499743906739311
Energy: 1.496077070272929
Energy: 1.4918621185824439
Energy: 1.480505149585947
Energy: 1.4303322905094844
Energy: 1.393673590707148
Energy: 1.5005306100547031
Energy: 1.5206915549360491
Energy: 1.4452464566924565
Energy: 1.2302833259400787
Energy: 1.185073637796356
Energy: 1.4168870587881743
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Energy: 1.2515959144626876
Energy: 1.3421175109267998
Energy: 1.3510304677306795
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Energy: 1.3378170314608269
Energy: 1.5150991887746232
Energy: 1.4846624364306944
Energy: 1.493892907140452
Energy: 1.4624374184641409
Energy: 1.2398375528267345
Energy: 1.2636577400958233
Energy: 1.3211523704165082
Energy: 1.3716238995726344
Energy: 1.3452556571460936
Energy: 1.2318046162495055
Energy: 1.435465237464186
Energy: 1.4842419106699813
Energy: 1.1770124657330003
Energy: 1.4681422251282716
Energy: 1.3904797544554752
Energy: 1.494119256494424
Energy: 1.3469511771288145
Energy: 1.3517372356993373
Energy: 1.2755019174217361
Energy: 1.2607510327406877
Energy: 1.2333234454316697
Energy: 1.175891125905077
Energy: 1.1772419963916547
Energy: 1.138923236149027
Energy: 1.4115473377760899
Energy: 1.4222942293228207
Energy: 1.4637515165856538
Energy: 1.3550725942640904
Energy: 1.354201657745606
Energy: 1.4097482560334909
Energy: 1.4803852026342574
Energy: 1.2345820922591164
Energy: 1.4827536091053937
Energy: 1.4129657816181582
Energy: 1.410465696834495
Energy: 1.1818380371128974
Energy: 1.1914731073821732
Energy: 1.2320495373293636
Energy: 1.177048679914042
Energy: 1.4646138442481098
Energy: 1.4798205479525866
Energy: 1.5007303823144553
Energy: 1.2259692725496416
Energy: 1.2442133792815788
Energy: 1.3819458347111475
Energy: 1.3555434906837758
Energy: 1.3307229590286376
Energy: 1.4025630778591487
Energy: 1.262839238790284
Energy: 1.2358825991960194
Energy: 1.230958319773564
Energy: 1.2266666884688093
Energy: 1.226870881740632
Energy: 1.2626273229065672
Energy: 1.2550142789938654
Energy: 1.2558210060371302
Energy: 1.3356360145914903
Energy: 1.3686752855408304
Energy: 1.3976636816896069
Energy: 1.4671961941916571
Energy: 1.4797842498076208
Energy: 1.3816978872679642
Energy: 1.3781991001126863
Energy: 1.3825063073669541
Energy: 1.2557158661796322
Energy: 1.33930012739045
Energy: 1.2551927082569287
Energy: 1.3644969340302096
Energy: 1.233486775874658
Energy: 1.3694923263400085
Energy: 1.4372427176176454
Energy: 1.488270951346995
Energy: 1.410627089105434
Energy: 1.5759726819230693
Energy: 1.4719584822041734
Energy: 1.3374880772756508
Energy: 1.3075091642409016
Energy: 1.35059613598218
Energy: 1.2345274090485325
Energy: 1.2333058225258156
Energy: 1.3486033761865692
Energy: 1.2308266641814485

minimum gb energy = 1.1321843168696109 eV
minimum distance =  2.21066883923717 Angstroms
sigma value = 33


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

Energy: 1.5937890010580533
Energy: 1.4892857635784447
Energy: 1.492917880289587
Energy: 1.2530543266348935
Energy: 1.3658100786774254
Energy: 1.4257909773965847
Energy: 1.42711057638439
Energy: 1.451331793825433
Energy: 1.378814078087406
Energy: 1.4798428868479796
Energy: 1.2185359870061814
Energy: 1.4251519390445306
Energy: 1.491697826024868
Energy: 1.3826678631499905
Energy: 1.4018121090728757
Energy: 1.4908309593601994
Energy: 1.4355652019498453
Energy: 1.3713500035655366
Energy: 1.3697651458303686
Energy: 1.255915044711862
Energy: 1.2540523703445736
Energy: 1.3811202660333475
Energy: 1.4528198570081785
Energy: 1.2537143419552947
Energy: 1.3766054026002699
Energy: 1.2845638730517628
Energy: 1.2572025986590123
Energy: 1.2571014895453663
Energy: 1.2561282096339348
Energy: 1.2466948567742928
Energy: 1.2511302042229815
Energy: 1.2560250759404663
Energy: 1.2942018716752992
Energy: 1.287921213678137
Energy: 1.2598921753689445
Energy: 1.3529663006036898
Energy: 1.3722767332531107
Energy: 1.38322957434073
Energy: 1.2553449305926487
Energy: 1.2565639296015652
Energy: 1.2544680694415102
Energy: 1.2554716496333174
Energy: 1.3872535583231524
Energy: 1.3811197071656907
Energy: 1.344794033871029
Energy: 1.396581549423589
Energy: 1.484965524190172
Energy: 1.5113560271923354
Energy: 1.2551145139449231
Energy: 1.2561571561939082
Energy: 1.3591653466083211
Energy: 1.4522229235035455
Energy: 1.4375382717890643
Energy: 1.4533888676434101
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Energy: 1.3984571750930597
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Energy: 1.4394939033013252
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Energy: 1.3358321869099923
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Energy: 1.2249371853867999
Energy: 1.3821836414775628
Energy: 1.451990059844106
Energy: 1.4435116244247053
Energy: 1.4433441785873917
Energy: 1.3874854761535167
Energy: 1.2347780071153514
Energy: 1.3026463983092673
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Energy: 1.2487289172716418
Energy: 1.2569125927552725
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Energy: 1.4528174935628277
Energy: 1.436624772979813
Energy: 1.4523838232595403
Energy: 1.2364268873177338
Energy: 1.2587102387388776
Energy: 1.2570663299492346
Energy: 1.25149704188504
Energy: 1.252422520877145
Energy: 1.2949911755773438
Energy: 1.2631082906440732
Energy: 1.3131202758045386
Energy: 1.3583318069215788
Energy: 1.49231104475397
Energy: 1.2091575051265329
Energy: 1.2490709643250455
Energy: 1.3999445433858455
Energy: 1.2455234302927567
Energy: 1.3237041997845684
Energy: 1.357778286201071
Energy: 1.3587434253204886
Energy: 1.4524994271720635
Energy: 1.4534114432542722
Energy: 1.417035506640643
Energy: 1.4347858305793337
Energy: 1.4486942162396281
Energy: 1.4224527426850135
Energy: 1.4235748890470195
Energy: 1.374647476033065
Energy: 1.5393287230994976
Energy: 1.4363756896881275
Energy: 1.4431772042295794
Energy: 1.387502813613502
Energy: 1.2634003910311433
Energy: 1.2383462460540997
Energy: 1.4363483029238158
Energy: 1.4733031876622018
Energy: 1.3824486044587359
Energy: 1.3834283366463753
Energy: 1.4753375288074722
Energy: 1.3898274030382505
Energy: 1.2633753948004323
Energy: 1.2738692185518745
Energy: 1.269692760022574
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Energy: 1.260866647961332
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Energy: 1.381358380829094
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Energy: 1.241001725984821
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Energy: 1.2455590231330638
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Energy: 1.3767607504629134
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Energy: 1.3883638089103594
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Energy: 1.3660002061279233
Energy: 1.4244534885791527
Energy: 1.45362624376829
Energy: 1.3828318541514169
Energy: 1.2791033611414981

minimum gb energy = 1.2041968499593572 eV
minimum distance =  2.22645347977907 Angstroms
sigma value = 219


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

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Energy: 1.2398886412193633
Energy: 1.2657544655156392
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Energy: 1.1821111752698772
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Energy: 1.216394817078686
Energy: 1.2030970065224584
Energy: 1.2037277817090435
Energy: 1.2483251096486936
Energy: 1.236421284549776

minimum gb energy = 1.181632341817907 eV
minimum distance =  2.2562207859963 Angstroms
sigma value = 15


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

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Energy: 1.414847780595325
Energy: 1.416583241303072
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Energy: 1.5068335119281648
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minimum gb energy = 1.3527486781124407 eV
minimum distance =  2.21763986898831 Angstroms
sigma value = 293


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

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Energy: 1.3666757372465508
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Energy: 1.3966391885737355
Energy: 1.3948771490541625
Energy: 1.4799644118331081
Energy: 1.487210939519809
Energy: 1.4423153515654072
Energy: 1.4170199543178177
Energy: 1.4189856533904432
Energy: 1.4088977558237565
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Energy: 1.4740782722985384
Energy: 1.3892895406389314
Energy: 1.4028184231106284
Energy: 1.452658188502193
Energy: 1.5214909199171471
Energy: 1.456251794497646
Energy: 1.4158875004869302
Energy: 1.4079903543308254
Energy: 1.412443251448981
Energy: 1.4452727674108974
Energy: 1.4672184396458032
Energy: 1.6089020204638658
Energy: 1.493672788824228
Energy: 1.4737833281646504
Energy: 1.4991920151180498
Energy: 1.3743690652396072
Energy: 1.4323167766746998
Energy: 1.4165088455065762
Energy: 1.417934086769997
Energy: 1.4830742665196242
Energy: 1.368880903780714
Energy: 1.493100505445094
Energy: 1.4268666722957692
Energy: 1.4657596579914436
Energy: 1.5031260569296985
Energy: 1.490535664408256
Energy: 1.3941648036247432
Energy: 1.5594797855437674
Energy: 1.3973687373178343
Energy: 1.3499046997994557
Energy: 1.3950228800259041
Energy: 1.3721328370871027
Energy: 1.4083101919048728
Energy: 1.3960477113717695
Energy: 1.485146944055521
Energy: 1.4729568676541382
Energy: 1.580680416958873
Energy: 1.4178326551101712
Energy: 1.4163829926817093
Energy: 1.3332831439312627
Energy: 1.3484791384775043
Energy: 1.370275231575976
Energy: 1.4279942937311634
Energy: 1.4567505298409111
Energy: 1.4893126997278656
Energy: 1.4351371503924362
Energy: 1.3915257625796449
Energy: 1.4217760946988651
Energy: 1.3369271414816049
Energy: 1.3367420173506104
Energy: 1.3600667013279983
Energy: 1.383899278952695
Energy: 1.6905378143323175
Energy: 1.363259233533544
Energy: 1.4277530754265568
Energy: 1.4582422362705123

minimum gb energy = 1.3329461716182434 eV
minimum distance =  2.23488334564981 Angstroms
sigma value = 293


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

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Energy: 1.4357763873110474
Energy: 1.3024140197878211
Energy: 1.4875632250286284
Energy: 1.246318824382533
Energy: 1.3820717105610487
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Energy: 1.268878389210092
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Energy: 1.2405311070443497
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Energy: 1.3003564557036464
Energy: 1.3094795900591587
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Energy: 1.2450709998267233
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Energy: 1.246819711582746
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Energy: 1.2380221162859795
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Energy: 1.2745295184358136
Energy: 1.4342021075793894
Energy: 1.3015438911542754
Energy: 1.4258015638964647
Energy: 1.2298599187441253
Energy: 1.3649586695047973
Energy: 1.2626824028286574
Energy: 1.2648138442166206
Energy: 1.2474582251585924
Energy: 1.266753618085183
Energy: 1.4337475886425712
Energy: 1.275224992489456
Energy: 1.2494404321658878
Energy: 1.2626257475484446
Energy: 1.325683203667161
Energy: 1.2699537450794929
Energy: 1.308323170946712
Energy: 1.3009272802917449
Energy: 1.309195015542209
Energy: 1.2673303148265382
Energy: 1.24757791896516
Energy: 1.4061995750834244
Energy: 1.4527047036302811
Energy: 1.2980735087138036
Energy: 1.4157887374798985
Energy: 1.4103389092426541
Energy: 1.300275083377036
Energy: 1.249942691887667
Energy: 1.2454533435108193
Energy: 1.2458762510306396
Energy: 1.3014310547900836
Energy: 1.416651788309723
Energy: 1.325002566535686
Energy: 1.3020790775687143
Energy: 1.3006782905431704
Energy: 1.4874831138736597
Energy: 1.2419925097888138
Energy: 1.2735138045604024
Energy: 1.299349396398201
Energy: 1.238715345775674
Energy: 1.2409996330307678
Energy: 1.2550224379665804
Energy: 1.2747283524424202
Energy: 1.4334248253848523
Energy: 1.2636913815452115
Energy: 1.3015344753214388
Energy: 1.2812719690211076
Energy: 1.2389580207624113
Energy: 1.2459943015392572
Energy: 1.2421159037542384
Energy: 1.2639504003011488
Energy: 1.301341674959851
Energy: 1.2754661232153843
Energy: 1.3232076083495048
Energy: 1.4527901874736222
Energy: 1.257386372035391
Energy: 1.4871657758929944
Energy: 1.3197308287556702
Energy: 1.313847370885257
Energy: 1.2573005697888797
Energy: 1.2657377408395805
Energy: 1.2724102789722576
Energy: 1.2717650027096337
Energy: 1.4146443657878947
Energy: 1.275317129083143
Energy: 1.299534502718691
Energy: 1.4311260695649937
Energy: 1.4073820680096245
Energy: 1.3023457754104906
Energy: 1.2460027833438234
Energy: 1.243781986913089
Energy: 1.2989875965545303
Energy: 1.241709631603782
Energy: 1.2733281133462973

minimum gb energy = 1.1258313960156099 eV
minimum distance =  2.28780388735325 Angstroms
sigma value = 15


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

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Energy: 1.3571617370403197
Energy: 1.386625329253668
Energy: 1.3667049141588892
Energy: 1.3568028118679003
Energy: 1.3472653669718175
Energy: 1.467719526594429
Energy: 1.394326880478143
Energy: 1.376695732009502
Energy: 1.3817086841476993
Energy: 1.3927967650714053
Energy: 1.5703268403501571
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Energy: 1.3895031998315714
Energy: 1.3542682089334948
Energy: 1.351974906409778
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Energy: 1.456069174089342
Energy: 1.4555319958908521
Energy: 1.3551480408339938
Energy: 1.356601288554758
Energy: 1.3526810342823643
Energy: 1.3800956801334479
Energy: 1.4029422548381996
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Energy: 1.3748611636968302
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Energy: 1.3569912043449939
Energy: 1.3948994580733327
Energy: 1.3657989530995798
Energy: 1.3576940515288936
Energy: 1.3750157082974277
Energy: 1.3357825651536888
Energy: 1.313679003942801
Energy: 1.3208157054960745
Energy: 1.44913061719059
Energy: 1.3474609374212017
Energy: 1.444341164129761
Energy: 1.5711181472971114
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Energy: 1.3875784269683138
Energy: 1.3688377710901811
Energy: 1.3315693885843116
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Energy: 1.37671327329924
Energy: 1.4581728170561492
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Energy: 1.5716606908518425
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Energy: 1.3787418534735882
Energy: 1.3753989311993564
Energy: 1.347409293893162
Energy: 1.3781939347969068
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Energy: 1.5391980465030266
Energy: 1.5172758434361224
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Energy: 1.4493031473966786
Energy: 1.484222190341218
Energy: 1.343076274717999
Energy: 1.3346581458842501
Energy: 1.3944322533873785
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Energy: 1.4622067499335876
Energy: 1.4199786902953144
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Energy: 1.3952572765724456
Energy: 1.3858918906966635
Energy: 1.4151903634127303
Energy: 1.4080393962426814
Energy: 1.4113248262507514
Energy: 1.4723738932293549
Energy: 1.4103401648437648
Energy: 1.4235566069153276
Energy: 1.491099260085559
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Energy: 1.386375050720064
Energy: 1.3898845721039792
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Energy: 1.402966835301404
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Energy: 1.3895975729413677
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Energy: 1.3995789650113377
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Energy: 1.3585434364135742
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Energy: 1.5149169528891337
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Energy: 1.4208199959594718
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Energy: 1.4206489830098008
Energy: 1.4264882306123368
Energy: 1.3969859434049914
Energy: 1.3964765975155957
Energy: 1.505746653186234
Energy: 1.4627697013021594
Energy: 1.4226857503271264
Energy: 1.5186465139078638
Energy: 1.4221164699028301
Energy: 1.4144051013463383
Energy: 1.446988011498997
Energy: 1.4703718412577076
Energy: 1.5319236334771855
Energy: 1.4931021083817728
Energy: 1.4660931525421785
Energy: 1.3745057517509067
Energy: 1.358543448210441
Energy: 1.533303204315442
Energy: 1.3421854560781281
Energy: 1.3664336858179766
Energy: 1.5627196758699278
Energy: 1.5187942690707925
Energy: 1.3705157802329102
Energy: 1.3723191360732943
Energy: 1.3326446350844279
Energy: 1.3371738203711347
Energy: 1.5058051661552676
Energy: 1.4376522277172674
Energy: 1.3777600099332679
Energy: 1.5172668415518658
Energy: 1.3765874434851404
Energy: 1.3418152891460278
Energy: 1.3280109145359182
Energy: 1.3273134192677467
Energy: 1.3410132578083007
Energy: 1.3868065518568016
Energy: 1.5215279727680122
Energy: 1.5027645055718195
Energy: 1.4232874901897241
Energy: 1.461991687671616
Energy: 1.3876756919189424
Energy: 1.3159443463471097
Energy: 1.3124477991777457
Energy: 1.376365068805319
Energy: 1.3742222807289883
Energy: 1.3519756126431992
Energy: 1.5705939168882583
Energy: 1.4466929504234545
Energy: 1.4223566970215453
Energy: 1.4495676715251662
Energy: 1.3783587928871015
Energy: 1.3955005251406374
Energy: 1.5718091490773891
Energy: 1.334009359564076
Energy: 1.5822642142905667
Energy: 1.3663486705984365
Energy: 1.3962589428222385
Energy: 1.3781771769920848
Energy: 1.4494708850074545
Energy: 1.3540824135300702
Energy: 1.5776979930317054
Energy: 1.5663257382212643
Energy: 1.3935878062037794
Energy: 1.376648169816337
Energy: 1.3409811512779324
Energy: 1.3312747144085613
Energy: 1.3566878860076728
Energy: 1.4434640086718173
Energy: 1.3963937487786715
Energy: 1.4944261673050798
Energy: 1.4136881743947223
Energy: 1.3968383544715661
Energy: 1.3583429903960829
Energy: 1.3877224146649851
Energy: 1.3523913037916537
Energy: 1.3566854794040588
Energy: 1.3336305396504955
Energy: 1.458392256470159
Energy: 1.4867802546185458
Energy: 1.4243533655818135
Energy: 1.3731169764028872
Energy: 1.4072176444118543
Energy: 1.3543070126786536
Energy: 1.3508195141158421
Energy: 1.394316842408203
Energy: 1.4025326731253018
Energy: 1.5472083643555419
Energy: 1.5416124801195734
Energy: 1.482234080569507
Energy: 1.4601689253768932
Energy: 1.3744188878723136
Energy: 1.39611951521713
Energy: 1.3868741948968055
Energy: 1.4030998922115185
Energy: 1.4307667071080619
Energy: 1.4134200234269338
Energy: 1.4630520452242188
Energy: 1.3411628752867135
Energy: 1.3593799448114212
Energy: 1.4298070032233
Energy: 1.3933189270920365
Energy: 1.4786750315108148
Energy: 1.4617249479084666
Energy: 1.433269243887444
Energy: 1.4012001436082724
Energy: 1.3948855884817322
Energy: 1.455453478569326
Energy: 1.4801980187296326
Energy: 1.423951123006464
Energy: 1.4884009279499093
Energy: 1.3571449503960522
Energy: 1.3663035649215816
Energy: 1.4562732077904204
Energy: 1.3773138499586466
Energy: 1.4323490101699132
Energy: 1.4338023036382475
Energy: 1.4723776217412021
Energy: 1.4983653938231427
Energy: 1.3982585286824938
Energy: 1.4842302284904225
Energy: 1.389825332642367
Energy: 1.3701689395829382
Energy: 1.4918557899076146
Energy: 1.4168827482779034
Energy: 1.427992802610726
Energy: 1.3812091592636448
Energy: 1.3979947371316024
Energy: 1.3731767019710661
Energy: 1.457909129364431
Energy: 1.4109225092295439
Energy: 1.4582593595983075
Energy: 1.4179646254246538
Energy: 1.342008223110436
Energy: 1.3680429539431462
Energy: 1.3512216071987628
Energy: 1.352582221086234
Energy: 1.3564369932919025
Energy: 1.4091577829612596
Energy: 1.4512781408129503
Energy: 1.4435121140868066
Energy: 1.4266768980027926
Energy: 1.4486845179736927
Energy: 1.3800851393743991
Energy: 1.3332583776214697
Energy: 1.3452462001851226
Energy: 1.3782992484649477
Energy: 1.3947095053809184
Energy: 1.571616731261896
Energy: 1.4873550868619574
Energy: 1.4212321333902305
Energy: 1.39688201469775
Energy: 1.3850190944505083
Energy: 1.3950659660961902
Energy: 1.3804087093721622
Energy: 1.3636889228015823
Energy: 1.3700538030071163
Energy: 1.565847235213557
Energy: 1.3947124206726957
Energy: 1.3797095111761466
Energy: 1.3708557516192186

minimum gb energy = 1.300513245674637 eV
minimum distance =  2.24545208197221 Angstroms
sigma value = 437


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

Energy: 1.6118191236775108
Energy: 1.3800328534605635
Energy: 1.3651636691674691
Energy: 1.4054778116117477
Energy: 1.4161040495916029
Energy: 1.4412759978175642
Energy: 1.4412352972916034
Energy: 1.3652009034274648
Energy: 1.3658298704782839
Energy: 1.363148983881216
Energy: 1.569117089343203
Energy: 1.3570795446814354
Energy: 1.4447472705967785
Energy: 1.611011918202816
Energy: 1.3648524156009947
Energy: 1.3302029467653242
Energy: 1.3360423120715645
Energy: 1.354718670108845
Energy: 1.4544148567394248
Energy: 1.6149433716441592
Energy: 1.5174194691549727
Energy: 1.3857584829191505
Energy: 1.516633548494709
Energy: 1.4086571487017914
Energy: 1.3466834396857796
Energy: 1.3570988855644248
Energy: 1.3622924214176806
Energy: 1.3642130418628522
Energy: 1.4060825097658358
Energy: 1.56493051740198
Energy: 1.4678685412054995
Energy: 1.3997067377430972
Energy: 1.4534879219663872
Energy: 1.3512037898056202
Energy: 1.3559137055291963
Energy: 1.3606205879320161
Energy: 1.4551067361387255
Energy: 1.3315947317886851
Energy: 1.6131138902248956
Energy: 1.5855899517995495
Energy: 1.3659798522776752
Energy: 1.4124988852845923
Energy: 1.3662964967464173
Energy: 1.3348021595889308
Energy: 1.4446011022098093
Energy: 1.4691119047046515
Energy: 1.44381065587977
Energy: 1.526340624553921
Energy: 1.5107763396351879
Energy: 1.4052004491145194
Energy: 1.3897398369592855
Energy: 1.493123578623285
Energy: 1.3860031312793966
Energy: 1.5180882348481597
Energy: 1.4535570223043401
Energy: 1.3505389394956668
Energy: 1.3630084842765384
Energy: 1.3809289691337463
Energy: 1.4886893821265796
Energy: 1.3269799677908602
Energy: 1.302606776348567
Energy: 1.3977553508379679
Energy: 1.3635310127712381
Energy: 1.4079889861023631
Energy: 1.4574235113690235
Energy: 1.3512521948164267
Energy: 1.443684538920571
Energy: 1.4693569440613985
Energy: 1.4632558662667916
Energy: 1.3588738026374454
Energy: 1.4492354900712952
Energy: 1.3303099646353747
Energy: 1.3574696045350663
Energy: 1.4038776856431245
Energy: 1.4396631632541457
Energy: 1.4423836197852982
Energy: 1.3636641631168192
Energy: 1.3576632704566167
Energy: 1.3560702732522476
Energy: 1.3203172541006323
Energy: 1.4885746058465728
Energy: 1.3548592869553102
Energy: 1.4530257613991109
Energy: 1.4562636277787908
Energy: 1.3639573191190835
Energy: 1.3457816358148234
Energy: 1.335935620375405
Energy: 1.3362838994645863
Energy: 1.4107644418771248
Energy: 1.4605166637387983
Energy: 1.4509808299304583
Energy: 1.3873891058613317
Energy: 1.4561414965515171
Energy: 1.3875311806940405
Energy: 1.3396861769232864
Energy: 1.3364590033961161
Energy: 1.3613667822229307
Energy: 1.3476856172372105
Energy: 1.3500257546245895
Energy: 1.528662796404907
Energy: 1.3616005102523214
Energy: 1.3599369536546424
Energy: 1.4129415937066034
Energy: 1.3567062282597702
Energy: 1.3568561410674596
Energy: 1.3478011235698275
Energy: 1.437235670201225
Energy: 1.4994432930398869
Energy: 1.5770417039567532
Energy: 1.359345159921159
Energy: 1.3644237769427687
Energy: 1.573324671590352
Energy: 1.3402408626057387
Energy: 1.4760240681717032
Energy: 1.4448947185243983
Energy: 1.3700181459876344
Energy: 1.349078934536068
Energy: 1.4258891452473708
Energy: 1.4888716505954802
Energy: 1.4012201175029173
Energy: 1.3877791637434989
Energy: 1.614270341661518
Energy: 1.3335525439198368
Energy: 1.4936781991613146
Energy: 1.441086183003349
Energy: 1.346202332466251
Energy: 1.3684434046696112
Energy: 1.4617106474670036
Energy: 1.455332401387793
Energy: 1.35759487864226
Energy: 1.5792539447034375
Energy: 1.3480722311394628
Energy: 1.3653451640009664
Energy: 1.404498613463543
Energy: 1.5423162458313529
Energy: 1.5274385826059713
Energy: 1.468860674921219
Energy: 1.390599343555762
Energy: 1.3537681631448386
Energy: 1.316747823860876

minimum gb energy = 1.302606776348567 eV
minimum distance =  2.24490589021656 Angstroms
sigma value = 33