Model name: model_name=EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Pd
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.9211406409740452
cohesive_energy=5.199020453881133
mass=106.42
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=[3.8173941134674194e-19, 2.822234140791e-19, 3.22497328127958e-19, 3.23641282244634e-19, 3.093001991937e-19, 3.07971994764114e-19, 3.32881034892912e-19, 3.7898366753626196e-19, 4.2868318672294197e-19, 4.743516294984779e-19, 5.156749692426059e-19, 5.535199835143199e-19, 5.893542661103639e-19, 6.25278270597912e-19, 6.62448768506712e-19, 6.997650644892059e-19, 7.34545114860078e-19, 7.64412891671106e-19, 7.8831256052048395e-19, 8.06306606296938e-19, 8.190006517681198e-19, 8.271669460716179e-19, 8.315745339917519e-19, 8.329091471278741e-19, 8.316145884076019e-19, 8.27666825181426e-19, 8.208463592504879e-19, 8.10683752861026e-19, 7.96448413467936e-19, 7.7724792868608e-19, 7.521754665406139e-19, 7.206718673862719e-19, 6.82995081661128e-19, 6.40183319824014e-19, 5.927092239819599e-19, 5.37740145846054e-19, 4.68042257913786e-19, 3.7482441699439795e-19, 2.5073263233782997e-19, 8.9216404775973e-20, -1.186801126399062e-19, -3.86818311276522e-19, -7.3279874232901785e-19, -1.1856427526926798e-18, -1.80828063619776e-18, -2.6995234323929397e-18, -4.02508427053284e-18, -6.086444727837239e-18, -9.467405926203059e-18, -1.5363656265818158e-17, -2.6564889680036998e-17, -5.0160946057271994e-17, -1.076439995495874e-16, -2.8335935731260594e-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: 0.020871803739967432
Energy: 0.021033702144018483
Energy: 1.73492801087472
Energy: 1.2519377235888343
Energy: 1.251088062087073
Energy: 0.798852131643064
Energy: 0.02101643073445543
Energy: 0.021489853687425734
Energy: 1.2510809088235486
Energy: 0.48567027660768136
Energy: 1.3549968958875287
Energy: 0.9815533873644499
Energy: 0.02161402367286048
Energy: 0.2840338660581097
Energy: 0.021482098632387113
Energy: 1.2508187046211843
Energy: 1.3544897442156705
Energy: 1.3566532293270979
Energy: 0.9828001102516425
Energy: 0.28312233570436934
Energy: 0.2838491254027734
Energy: 0.020987213217126974
Energy: 1.00924096890959
Energy: 1.7280479057123945
Energy: 1.251969260519947
Energy: 1.251087975385795
Energy: 0.28351161524862717
Energy: 0.021179337807795205
Energy: 0.7994726397443326
Energy: 1.2524347118443804
Energy: 0.4854251610680871
Energy: 1.3543742085056716
Energy: 0.9813880276294041
Energy: 0.02216252534747476
Energy: 0.28369263516035226
Energy: 0.021425512155887227
Energy: 1.251318828407236
Energy: 1.3548115210880554
Energy: 1.25314943642571
Energy: 0.9816009994542046
Energy: 0.2831038761564888
Energy: 0.2836724154190676

minimum gb energy = 0.020871803739967432 eV
minimum distance =  2.74825415001681 Angstroms
sigma value = 5


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

Energy: 2.1990560210413803
Energy: 2.3721883464494855
Energy: 2.2183603154033276
Energy: 2.431791479666833
Energy: 2.3899564728011904
Energy: 2.371315035535859
Energy: 2.3913981244228775
Energy: 2.1024336453222108
Energy: 2.2156502568703194
Energy: 2.279656665195289
Energy: 2.3561005269697857
Energy: 2.4187921382627193
Energy: 2.306901819481304
Energy: 2.234371874732059
Energy: 2.156723525423924
Energy: 2.3779068123592135
Energy: 2.2809832631931535
Energy: 2.383305761527628
Energy: 2.3837054549955567
Energy: 2.3135012240564543
Energy: 2.3463220645016487
Energy: 2.131403082342414
Energy: 2.401658501890267
Energy: 2.2034139583651977
Energy: 2.3081396249415205
Energy: 2.333338202341351
Energy: 2.23221711401342
Energy: 2.370142442413608
Energy: 2.2220581449890364
Energy: 2.514486209358498
Energy: 2.2031244298731436
Energy: 2.279899935152655
Energy: 2.2503309810435796
Energy: 2.2762697104373326
Energy: 2.4375079158288226
Energy: 2.230911733142275
Energy: 2.385743783693815
Energy: 2.113976189168179
Energy: 2.329021905635536
Energy: 2.206493197221366
Energy: 2.191419978660403
Energy: 2.4405217116065927
Energy: 2.184995194726736
Energy: 2.3690039076218237
Energy: 2.1758760369167978
Energy: 2.304815151877454
Energy: 2.2775026985180293
Energy: 2.3004376729609213
Energy: 2.377794940283773
Energy: 2.039313272102755
Energy: 2.360907246786906
Energy: 2.1134303446076763
Energy: 2.3212494529376158
Energy: 2.3259829026873695
Energy: 2.2835779789556647
Energy: 2.3480462094422023
Energy: 2.1296849546384036
Energy: 2.27723474008384
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Energy: 2.341960468940446
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Energy: 2.2930641216738907
Energy: 2.3105358837306342
Energy: 2.213664496022139
Energy: 2.340155541705705
Energy: 2.2511345426853633
Energy: 2.3923290088163256
Energy: 2.309378286534423
Energy: 2.2800922894779077
Energy: 2.3385030545625565
Energy: 2.053499428719162
Energy: 2.290760434348889
Energy: 2.312658994061674
Energy: 2.3611006402524994
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Energy: 2.3235645438968686
Energy: 2.2018273939934714
Energy: 2.0434962736056552
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Energy: 2.115327385472726
Energy: 2.4180962236299113
Energy: 2.4516314792096976
Energy: 2.2294038152443445
Energy: 2.3217155284500075
Energy: 2.057706216391113
Energy: 2.3343640941733432
Energy: 2.2125666528740915
Energy: 2.4016824335541584
Energy: 2.3685308188121015
Energy: 2.271480343347889
Energy: 2.3307498870302576
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Energy: 2.3866998395171377
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Energy: 2.315385930493379
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Energy: 2.1981183741505466
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Energy: 2.253315294290311
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Energy: 2.273988417516575
Energy: 2.4267976893679126
Energy: 2.2034270871863817
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Energy: 2.258364845095267
Energy: 2.2604961034037476
Energy: 2.281365397657263
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Energy: 2.3055291254164567
Energy: 2.279360864580747
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Energy: 2.3659015605818032
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Energy: 2.2784849015890063
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Energy: 2.4290436147625427
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Energy: 2.285351176238909
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Energy: 2.337655107122438
Energy: 2.385564641112178
Energy: 2.3820073641174355
Energy: 2.311149129634244
Energy: 2.2332847155241122
Energy: 2.1539603874603537
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Energy: 2.2878419152515836
Energy: 2.0042393371366902
Energy: 2.2129250832696745
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Energy: 2.4001659803806525
Energy: 2.4235542010044777
Energy: 2.2804468664868245
Energy: 2.2640351050336265
Energy: 2.0181785976938746
Energy: 2.35773254244672
Energy: 2.3021699828352373
Energy: 2.364916965823002
Energy: 2.3956153242099636
Energy: 2.352262743371251
Energy: 2.317551991683477
Energy: 2.133388576576435
Energy: 2.364746760321554
Energy: 2.2419915537673636
Energy: 2.328074723914711
Energy: 2.327671596567422
Energy: 2.235751061113332
Energy: 2.3590627452844144
Energy: 2.2457691321041002
Energy: 2.499292025857616
Energy: 2.2173439674623574
Energy: 2.2863382391374496
Energy: 2.3138737603688626
Energy: 2.2802569136017787
Energy: 2.433117268209563
Energy: 2.271566049903679
Energy: 2.373360852309188
Energy: 2.1872224943444936
Energy: 2.3007279747373475
Energy: 2.311182092389235
Energy: 2.303051381582373
Energy: 2.422800553438751
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Energy: 2.370185864178439
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Energy: 2.2866368992960964
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Energy: 2.39078973589472
Energy: 2.055498379937473
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Energy: 2.2988421940807546
Energy: 2.3141201864537893
Energy: 2.260028899472173
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Energy: 2.1634350441798564
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Energy: 2.2072512576804466
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Energy: 2.326739296094812
Energy: 2.2225862466501702
Energy: 2.2946929572334014
Energy: 2.267432467057518
Energy: 2.4381962450443404
Energy: 2.279691341549292
Energy: 2.2732509883483907
Energy: 2.323119531916487
Energy: 2.313784584413463
Energy: 2.276390084332228
Energy: 2.0507620815016128
Energy: 2.3036860478715897
Energy: 2.1490463896394076
Energy: 2.223137251423704
Energy: 2.2798777108039703
Energy: 2.130706701481637
Energy: 2.3342238829883746
Energy: 2.229867878431105
Energy: 2.30562953261226
Energy: 2.1666376081274175
Energy: 2.2485344913630985
Energy: 2.2894748948887025
Energy: 2.280222692147329
Energy: 2.275733576335549
Energy: 2.221988498283077
Energy: 2.3626199902022424
Energy: 2.1882386039844026
Energy: 2.217177297748455
Energy: 2.2915853613502235
Energy: 2.2038491019316147
Energy: 2.402732196995826
Energy: 2.175214640394312
Energy: 2.4076915415987408
Energy: 2.247600035303462
Energy: 2.283440919435431
Energy: 2.2467110264900176
Energy: 2.260435078264636
Energy: 2.344544188160417
Energy: 2.0937835929208917
Energy: 2.3429536418791987
Energy: 2.251946233472835
Energy: 2.341228377474894
Energy: 2.341289012933058
Energy: 2.321168146172959
Energy: 2.2606276694302525
Energy: 2.076281341596594
Energy: 2.2954832058958266
Energy: 2.265922378215151
Energy: 2.395424880821828
Energy: 2.426819929623837
Energy: 2.285380548348291
Energy: 2.340113613461001
Energy: 2.0860446433455553
Energy: 2.285000332050666
Energy: 2.3437859215971577
Energy: 2.3789944042619595
Energy: 2.3313637792272974
Energy: 2.2871893308335975
Energy: 2.234839984362464
Energy: 2.2319598931320517
Energy: 2.3032884160605103
Energy: 2.252531801963419
Energy: 2.3568422368642707
Energy: 2.3467487992404097
Energy: 2.2959905475092595
Energy: 2.313933585060564

minimum gb energy = 2.0042393371366902 eV
minimum distance =  2.42906702709577 Angstroms
sigma value = 401


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

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Energy: 2.1959453569290037
Energy: 2.1800788028281137
Energy: 2.4213640703582504
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Energy: 2.278383695893347
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Energy: 1.9278582309674743
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Energy: 2.4006521508665544
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Energy: 1.9306362975635716
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Energy: 2.3692163529548127
Energy: 2.363121983247442
Energy: 2.184611389234505
Energy: 1.930060739165694
Energy: 1.925164651449922
Energy: 1.9265406329021444
Energy: 2.142596887984347
Energy: 2.2614638170431336
Energy: 2.362871568218209
Energy: 2.3346587879479843
Energy: 2.0972096115523975
Energy: 2.0834190853627357
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Energy: 2.3098614998403817
Energy: 2.2719582374988314
Energy: 2.217196795043344
Energy: 2.2490094899091786
Energy: 2.2631545601415937
Energy: 2.365325223127636
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Energy: 2.2506382714994686
Energy: 2.0677408275141347
Energy: 2.2028259944853787
Energy: 2.3804819459095756
Energy: 2.2458561256461835
Energy: 2.36867417236381
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Energy: 2.093181547052877
Energy: 2.0670386045084475
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Energy: 2.308106292680791
Energy: 2.2291885281396606
Energy: 2.3536790597934254
Energy: 2.2069932677888695
Energy: 2.2588898834884894
Energy: 2.032682122899753
Energy: 2.1702796678881606
Energy: 2.30649921032099
Energy: 2.272797295719307
Energy: 2.1664812225774135
Energy: 2.2289838245275013
Energy: 2.2715584275686433
Energy: 2.194002616928671
Energy: 2.1696434926368613
Energy: 2.3764637846457886
Energy: 1.9792169063458211
Energy: 2.1137574877239773
Energy: 2.183720405822578
Energy: 2.3228642948689746
Energy: 2.398536310550057
Energy: 2.1478764787299984
Energy: 2.227419919716081
Energy: 2.006984591754424
Energy: 2.122702672927064
Energy: 2.3023210987121696
Energy: 2.4624141390225853
Energy: 2.4045428190465916
Energy: 2.2391835779080598
Energy: 2.017493954808762
Energy: 1.9776797001730904
Energy: 2.000432167378888
Energy: 2.197796524392402
Energy: 2.5406277722088233
Energy: 2.4745613338386847
Energy: 2.164550966605609
Energy: 2.0275497053615386
Energy: 1.985189014286006
Energy: 2.035343503492964
Energy: 2.2096684179397563
Energy: 2.4451047331063602
Energy: 2.3780493724753358
Energy: 2.289827995399778
Energy: 1.9964548389103156
Energy: 2.008902683671238
Energy: 2.1485529249454367
Energy: 2.1456876937258853
Energy: 2.320164657166418
Energy: 2.420977740690406
Energy: 2.3591968088729387
Energy: 2.219407948375565
Energy: 2.085099502269941
Energy: 2.351836417179574
Energy: 2.179160221845061
Energy: 2.278207920463805
Energy: 2.2561768333046364
Energy: 2.325874437201382
Energy: 2.276053421862088
Energy: 2.089495322986913
Energy: 2.3478866206459337
Energy: 2.057625279597219
Energy: 2.253566212807291
Energy: 2.119490619246401
Energy: 2.1918498676154194
Energy: 2.421670793133395
Energy: 2.236878148554588
Energy: 2.264607642637857
Energy: 2.11567292038002
Energy: 2.1002668593240124
Energy: 2.270774886989116
Energy: 2.2017451612674135
Energy: 2.357170966992272
Energy: 2.22025107660162
Energy: 2.355230871963017
Energy: 2.19523379685494
Energy: 2.260143984678335
Energy: 2.0303211260018292
Energy: 2.1726208772531335
Energy: 2.320083954519141
Energy: 2.3269968617927157
Energy: 2.3416935881845853
Energy: 2.2196772378176717
Energy: 2.2635804450642896
Energy: 2.1731144730042296
Energy: 2.1670318373520834
Energy: 2.276441817388874
Energy: 1.9883548927681725
Energy: 2.181402939582707
Energy: 2.171658863787607
Energy: 2.342023718457372
Energy: 2.3576001707078165
Energy: 2.29471151451827
Energy: 2.2549417993996252
Energy: 2.0907984842291567
Energy: 2.1663334904812293
Energy: 2.2532896654118355
Energy: 2.466094686050208
Energy: 2.308402819912148
Energy: 2.266437776051308
Energy: 2.0974142150794535
Energy: 1.9918001318568366
Energy: 2.1022214939563817
Energy: 2.139193473338829
Energy: 2.4940961281664196
Energy: 2.519736776780002
Energy: 2.003936111860912
Energy: 2.202889238032928

minimum gb energy = 1.9245547791579536 eV
minimum distance =  2.44954472434876 Angstroms
sigma value = 311


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

Energy: 2.230845991851243
Energy: 2.3476236042488243
Energy: 2.286281391796664
Energy: 2.335547129232016
Energy: 2.291385548785521
Energy: 2.3307904322691355
Energy: 2.3304853794017615
Energy: 2.035511532620237
Energy: 2.407075429742081
Energy: 2.337165617177398
Energy: 2.271660082712546
Energy: 2.273673493265656
Energy: 2.054905273353399
Energy: 2.322888468112496
Energy: 2.2413783274176975
Energy: 2.355257053070158
Energy: 2.3261385480939536
Energy: 2.3182773745815015
Energy: 2.278180510801563
Energy: 2.056122878178025
Energy: 2.312568265707379
Energy: 2.2519043571786743
Energy: 2.3636698617691483
Energy: 2.2314346383741754
Energy: 2.320115623294111
Energy: 2.192158791250213
Energy: 2.261569851300531
Energy: 2.361930240247042
Energy: 2.0873735462285437
Energy: 2.263383993097445
Energy: 2.1795885270938764
Energy: 2.1582545876026127
Energy: 2.3192343327924103
Energy: 2.309290041534882
Energy: 2.441709790211061
Energy: 2.124263087906354
Energy: 2.330265545037358
Energy: 2.032390559668156
Energy: 2.2988012816978043
Energy: 2.3495304459883632
Energy: 2.3047462409150197
Energy: 2.3501616922816315
Energy: 2.2713931273488623
Energy: 2.3606596281403425
Energy: 2.24376682900732
Energy: 2.2080072826117596
Energy: 2.3601369603000015
Energy: 2.239071326741979
Energy: 2.3285325353583697
Energy: 2.0976785216371145
Energy: 2.3381940037264695
Energy: 2.3211510812250067
Energy: 2.3053054869046035
Energy: 2.363810873376464
Energy: 2.232358914271925
Energy: 2.3376431510734226
Energy: 2.2403511216672145
Energy: 2.4142561685625665
Energy: 2.335184833153792
Energy: 2.360116910192835
Energy: 2.3493349722935912
Energy: 2.241143775179177
Energy: 2.2814617906571377
Energy: 2.208980275971144
Energy: 2.3347805194626243
Energy: 2.2123343009948644
Energy: 2.353978407688097
Energy: 2.1482616769133327
Energy: 2.2205142874341934
Energy: 2.188396027727778
Energy: 2.2613986781173194
Energy: 2.362291758364325
Energy: 2.2140522175177764
Energy: 2.201504133156091
Energy: 2.2541795021267035
Energy: 2.2257220618076765
Energy: 2.3078746819994307
Energy: 2.074397423746832
Energy: 2.3394880634194117
Energy: 2.032968398916268
Energy: 2.2937577939310394
Energy: 2.33335160841475
Energy: 2.157754402315856
Energy: 2.3963907598182552
Energy: 2.2542677316395783
Energy: 2.2725340591521346
Energy: 2.227263193995465
Energy: 2.3203345091012353
Energy: 2.323687385566901
Energy: 2.291515704750136
Energy: 2.354463928371762
Energy: 2.2529032911808797
Energy: 2.284692427376162
Energy: 2.0463671450032206
Energy: 2.2147019230111447
Energy: 2.227018316244178
Energy: 2.096944712301207
Energy: 2.3957466031857577
Energy: 2.1340057928206986
Energy: 2.284403331442866
Energy: 2.1907842884868827
Energy: 2.3150652615660423
Energy: 2.311210770790886
Energy: 2.358292766129479
Energy: 2.4325826927538974
Energy: 2.1968429374092104
Energy: 2.2846347796356024
Energy: 2.0809906767366404
Energy: 2.289718241290764
Energy: 2.263749360565073
Energy: 2.404449076921416
Energy: 2.1719413190481363
Energy: 2.3018853370807846
Energy: 2.371915752945362
Energy: 2.2707405402882834
Energy: 2.227719208005357
Energy: 2.2147725289704496
Energy: 2.272081613928502
Energy: 2.326638881244739
Energy: 2.0986913445538082
Energy: 2.4042333762287553
Energy: 2.237369351018767
Energy: 2.3626324732052995
Energy: 2.1963391330435473
Energy: 2.347553371040355
Energy: 2.327635234052613
Energy: 2.140283245631009
Energy: 2.3164616243622214
Energy: 2.354284185168562
Energy: 2.282809993957157
Energy: 2.310134549601517
Energy: 2.2546146610388944
Energy: 2.3257889413363326
Energy: 2.1314185836812682
Energy: 2.360863165581441
Energy: 2.279793569607852
Energy: 2.3353562586424563
Energy: 2.2290510370035754
Energy: 2.1005908886269093
Energy: 2.360549833270518
Energy: 2.0787658665925077
Energy: 2.4099174295610704
Energy: 2.262888777956437
Energy: 2.341043923858773
Energy: 2.323896561997218
Energy: 2.2912683264131495
Energy: 2.3359436825972875
Energy: 2.211498172577718
Energy: 2.2457991952130616
Energy: 2.101989411334212
Energy: 2.3323238095430425
Energy: 2.1940902970915244
Energy: 2.2423369396788155
Energy: 2.342664221191911
Energy: 2.276353817728961
Energy: 2.2685037215245254
Energy: 2.175668591430753
Energy: 2.1773413476491807
Energy: 2.295610792675063
Energy: 2.334879658959007
Energy: 2.4109729515925515
Energy: 2.262696823333044
Energy: 2.3400995701653047
Energy: 2.1536561978001503
Energy: 2.40166904080523
Energy: 2.227400034618808
Energy: 2.319296094842648
Energy: 2.388854592416647
Energy: 2.251807202483785
Energy: 2.3223421963137745
Energy: 2.225631549248317
Energy: 2.3022533277897548
Energy: 2.3598694946714636
Energy: 2.276490853889228
Energy: 2.3815841757443064
Energy: 2.101656568942213
Energy: 2.3526381379910277
Energy: 2.159824287895519
Energy: 2.356066902043467
Energy: 2.2964835311196405
Energy: 2.1819816604547952
Energy: 2.3410481587748273
Energy: 2.087190093563516
Energy: 2.3760184456132034
Energy: 2.2327626249259485
Energy: 2.3826805021975397
Energy: 2.3545678659773714
Energy: 2.2137448447736072
Energy: 2.316765574945517
Energy: 2.1222091479054708
Energy: 2.3433324914626605
Energy: 2.1116557547785897
Energy: 2.375390883534282
Energy: 2.179416185419534
Energy: 2.172862639509144
Energy: 2.212238054573463
Energy: 2.153968567196481
Energy: 2.357090530601404
Energy: 2.188443371459711
Energy: 2.186743950051539
Energy: 2.294841150928843
Energy: 2.2792478446176885
Energy: 2.1783092141047278
Energy: 2.2359985542105307
Energy: 2.319548935470161
Energy: 2.1461137663914176
Energy: 2.3419717697985867
Energy: 2.2070486391312545
Energy: 2.295943283727122
Energy: 2.238107214193251
Energy: 2.330846940260915
Energy: 2.2871358634118075
Energy: 2.3385863852052964
Energy: 2.348524282864872
Energy: 2.340761605397975
Energy: 2.309587316947537
Energy: 2.3525101904407575
Energy: 2.172242435135128
Energy: 2.2917600136601535
Energy: 2.047737269892432
Energy: 2.046704170775586
Energy: 2.197428031456554
Energy: 2.172563601696775
Energy: 2.417783987171676
Energy: 2.096567281340764
Energy: 2.269187162482661
Energy: 2.190958222841733
Energy: 2.2823085424977
Energy: 2.3208033391731395
Energy: 2.2820872572372024
Energy: 2.3991704514072962
Energy: 2.0236432220439915
Energy: 2.3151690846301767
Energy: 2.191792915800196
Energy: 2.35889418169655
Energy: 2.3190950447088894
Energy: 2.27206338473427
Energy: 2.3716546074228315
Energy: 2.252757731726285
Energy: 2.144524289969268
Energy: 2.2019973737518153
Energy: 2.391978101402173
Energy: 2.242253814447686
Energy: 2.281998720858654
Energy: 2.2843850206415306
Energy: 2.1993260825456904
Energy: 2.433191162689084
Energy: 2.2517880992391404
Energy: 2.290879465915814
Energy: 2.1965245680663332
Energy: 2.255928343491855
Energy: 2.1884055859265352

minimum gb energy = 2.0236432220439915 eV
minimum distance =  2.44802247769764 Angstroms
sigma value = 39


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

Energy: 2.1695789715336327
Energy: 2.0361956768318397
Energy: 2.1962961625243396
Energy: 2.2586098310633607
Energy: 2.0007917353943343
Energy: 2.238740143828194
Energy: 2.034842022768993
Energy: 2.1485349855771667
Energy: 2.0907125536552367
Energy: 2.024831024509478
Energy: 2.0006943481676416
Energy: 1.9891082289669122
Energy: 1.9521535598388908
Energy: 2.2399660527188017
Energy: 2.149559378633695
Energy: 2.0430367357984385
Energy: 2.0232527342490245
Energy: 1.972849290190765
Energy: 1.9873546030365912
Energy: 1.954510766138282
Energy: 1.9308519068257608
Energy: 1.9542617997131069
Energy: 1.984306060526647
Energy: 2.1184817912590628
Energy: 2.116052139940498
Energy: 2.001702326129067
Energy: 2.202490343018424
Energy: 2.314235806211741
Energy: 2.0888582334290664
Energy: 1.9825727553005885
Energy: 1.9731217961331986
Energy: 2.2037524240422384
Energy: 2.0857691130787583
Energy: 2.2363464629539713
Energy: 2.05556411112711
Energy: 1.9299917044113126
Energy: 2.1587099991383254
Energy: 2.0226933427337737
Energy: 1.983639765301969
Energy: 2.090651700752552
Energy: 2.2510542518155927
Energy: 2.2473482943199916
Energy: 2.165574933489563
Energy: 2.2084251665543424
Energy: 2.2029996388199207
Energy: 1.97241610076051
Energy: 2.026625309323872
Energy: 1.9356258738293313
Energy: 2.2410503121340515
Energy: 2.142668208962387
Energy: 1.983232496552582
Energy: 2.1956415398449995
Energy: 2.3588638452235386
Energy: 2.103088363634586
Energy: 2.223369727316343
Energy: 1.9535429093966143
Energy: 2.144704719201227
Energy: 1.9874559853938236
Energy: 2.196125650794458
Energy: 2.057574189969359
Energy: 2.2046074319741398
Energy: 2.2063165407224465
Energy: 1.9522936277212155
Energy: 2.168267992425819
Energy: 2.1006942104786646
Energy: 2.025003739236873
Energy: 1.9730779708716946
Energy: 2.033233259939871
Energy: 1.9291047437631272
Energy: 1.9535410998201763
Energy: 2.1306830111921795
Energy: 2.0426877829216985
Energy: 2.0832267276479506
Energy: 1.9824313599933863
Energy: 1.9826920559133376
Energy: 2.086474951811661
Energy: 2.3121306445085903
Energy: 2.174596074685985
Energy: 1.9818371991319625
Energy: 2.0879833447406275
Energy: 2.101440180409477
Energy: 2.0011468157953916
Energy: 2.024549159042885
Energy: 2.1735746431829597
Energy: 1.9354923033574187
Energy: 2.0298476146866116
Energy: 2.0259123021708128
Energy: 2.2074797647065982
Energy: 2.1036652794705417
Energy: 2.223569729785625
Energy: 1.952892896307533
Energy: 2.312383285205904
Energy: 2.1288224233833994
Energy: 2.0713660992813274
Energy: 2.168598081645369
Energy: 2.026075159209655
Energy: 1.9359099426021478
Energy: 2.2387859624323654
Energy: 2.1512932898914503
Energy: 2.2910712599371217
Energy: 2.333717705014773
Energy: 2.2025826513122984
Energy: 2.0271379485489636
Energy: 2.030907745703767
Energy: 2.2447951963617743
Energy: 1.9091943405053988
Energy: 1.9863539826295677
Energy: 2.199538504749548
Energy: 2.183164253801251
Energy: 2.000662426117517
Energy: 2.2384097421862
Energy: 2.0361948843896998
Energy: 2.1547459124043304
Energy: 2.0913644340821116
Energy: 2.0252710928682776
Energy: 2.0007389050045896
Energy: 1.9898426409011123
Energy: 1.9529460276382018
Energy: 2.240048002667495
Energy: 2.139486773321784
Energy: 2.0429875602615906
Energy: 2.024580666345814
Energy: 1.972559107525481
Energy: 1.9869214510276585
Energy: 1.9546546841880112
Energy: 2.0648830999826204
Energy: 1.9525195696236501
Energy: 1.9831440864411036
Energy: 2.117982009883381
Energy: 2.116292239930149
Energy: 2.0017171660342665
Energy: 2.202670671649781
Energy: 2.3121849458593147
Energy: 2.0883448592104967
Energy: 1.982654583655439
Energy: 1.9729084369225394
Energy: 2.2057575274552135
Energy: 2.0852582297146594
Energy: 2.236001006071
Energy: 2.1727902847458966
Energy: 1.9148876652394702
Energy: 2.158187007144715
Energy: 2.023704553908602
Energy: 2.1470702303013116
Energy: 2.093531262812334
Energy: 1.9043292169286257
Energy: 2.2450917405670494
Energy: 2.165861930889349
Energy: 2.206044621166968
Energy: 2.202512920157097
Energy: 2.296508458773433
Energy: 2.026577360814356
Energy: 1.935677096630744
Energy: 2.241015773243227
Energy: 1.9056611620633084
Energy: 1.9835100363749778
Energy: 2.1967315066002193
Energy: 2.358542051515351
Energy: 2.104105404923812
Energy: 2.2231702232036117
Energy: 1.9652201134412484
Energy: 2.146415906600264
Energy: 1.9876341539829872
Energy: 2.1957780681696644
Energy: 2.0574242018539906
Energy: 2.1864935399445544
Energy: 2.2070937638195094
Energy: 1.9521764250716476
Energy: 2.1676861804687753
Energy: 2.0991455659697884
Energy: 2.0248541317809963
Energy: 1.9731588404349005
Energy: 2.0334013495413865
Energy: 1.930054615647215
Energy: 1.9535950411874978
Energy: 2.129918685886563
Energy: 2.0428362406300637
Energy: 2.0878442965910047
Energy: 1.9889609935565957
Energy: 1.9826200400566831
Energy: 2.197633927927358
Energy: 2.3098385196792846
Energy: 2.1746099518239346
Energy: 1.9859212110847524
Energy: 2.0880526063457934
Energy: 2.101997992282664
Energy: 2.001367914033544
Energy: 2.0245156503739823
Energy: 2.1733112790214912
Energy: 1.9366504691933872
Energy: 1.9851512134739469
Energy: 2.025456264777153
Energy: 2.207744901688092
Energy: 2.1030391008625795
Energy: 2.2233582919156727
Energy: 1.9655812681580405
Energy: 2.3119254278724255
Energy: 2.134732952024128
Energy: 2.0721326496152286
Energy: 2.170269135104047
Energy: 2.0267986472881905
Energy: 1.9360946916068944
Energy: 2.2392442959770102
Energy: 2.1489038511818563
Energy: 2.3120928591190264
Energy: 1.9936120063708176
Energy: 2.3730099929403816
Energy: 2.0265422253835963
Energy: 1.9077064234625436
Energy: 2.244691506433347

minimum gb energy = 1.9043292169286257 eV
minimum distance =  2.46315772207698 Angstroms
sigma value = 21


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

Energy: 2.52195697829111
Energy: 2.3505739521165916
Energy: 2.2663577339426957
Energy: 2.470659743905294
Energy: 2.242958071724925
Energy: 2.3227580193627104
Energy: 2.3138092232407046
Energy: 2.2154597832957683
Energy: 2.349035258528908
Energy: 2.2862934946804194
Energy: 2.3406324871197715
Energy: 2.2014230972140445
Energy: 2.3196808738996935
Energy: 2.31221028153509
Energy: 2.3588888544812425
Energy: 2.2171076747675382
Energy: 2.244993632028238
Energy: 2.2735391778052243
Energy: 2.2380327711988195
Energy: 2.2020374541741092
Energy: 2.201111222922559
Energy: 2.1547366439741897
Energy: 2.292800407727967
Energy: 2.2133009847014895
Energy: 2.3488699575696725
Energy: 2.2292451415796855
Energy: 2.171838762497785
Energy: 2.134440571701742
Energy: 2.126086596822763
Energy: 2.192096926170125
Energy: 2.2095296266827527
Energy: 2.2257432795960304
Energy: 2.2227549833685365
Energy: 2.1323815884708908
Energy: 2.0972289897521863
Energy: 2.146472574172737
Energy: 2.191126002490164
Energy: 2.1191176429642997
Energy: 2.2200286645179776
Energy: 2.224964576774649
Energy: 2.206128454172621
Energy: 2.1936211605356846
Energy: 2.1447562646992617
Energy: 2.1687738324744417
Energy: 2.1564119592509745
Energy: 2.219505575756431
Energy: 2.155483615634958
Energy: 2.1909168973511677
Energy: 2.194519347941768
Energy: 2.2573092341291936
Energy: 2.2309715742187786
Energy: 2.180589952104147
Energy: 2.222613887952047
Energy: 2.214297671305569
Energy: 2.059368749014397
Energy: 2.1179560140480964
Energy: 2.1850506835247048
Energy: 2.2368779942138834
Energy: 2.4728096699383433
Energy: 2.3073454659591834
Energy: 2.3488755183623655
Energy: 2.2582204697134634
Energy: 2.2159897571483036
Energy: 2.297623313151774
Energy: 2.2357876648413386
Energy: 2.233624061997749
Energy: 2.164995750258871
Energy: 2.2432819570183504
Energy: 2.2069699544238888
Energy: 2.300888204725913
Energy: 2.3701042362819074
Energy: 2.392646394646807
Energy: 2.1707264102677253
Energy: 2.2010518771107015
Energy: 2.233332088520366
Energy: 2.281235008208563
Energy: 2.4235114116822474
Energy: 2.2590395485631936
Energy: 2.3900053423515226
Energy: 2.413941239845046
Energy: 2.275175130465886
Energy: 2.3295419217284095
Energy: 2.4887118172018345
Energy: 2.3026808126838634
Energy: 2.446089593844024
Energy: 2.2960912566909846
Energy: 2.209554017436046
Energy: 2.320241202981463
Energy: 2.2601465505460636
Energy: 2.2224332728650102
Energy: 2.3453058851453306
Energy: 2.1657675177611297
Energy: 2.2262639975645144
Energy: 2.3169123860833833
Energy: 2.187840841244084
Energy: 2.261009508870802
Energy: 2.2302962079165916
Energy: 2.3899737452041143
Energy: 2.1564010385550487
Energy: 2.2432829720963126
Energy: 2.272236095001038
Energy: 2.276804878467606
Energy: 2.2301908123479026
Energy: 2.3088753408561797
Energy: 2.2300416578041515
Energy: 2.158635962005643
Energy: 2.1856523714423424
Energy: 2.197754515169668
Energy: 2.219068840505307
Energy: 2.244761408811635
Energy: 2.1798868317424676
Energy: 2.147389709673421
Energy: 2.1090183190971237
Energy: 2.1967487502450695
Energy: 2.1412006472884477
Energy: 2.2108813482961476
Energy: 2.256789977401271
Energy: 2.1949426387648634
Energy: 2.094631558422672
Energy: 2.146599016640988
Energy: 2.1982044327081804
Energy: 2.195116875721555
Energy: 2.4319142430765304
Energy: 2.3536457317882955
Energy: 2.2715305323507478
Energy: 2.0950016334648858
Energy: 2.1666294026165063
Energy: 2.1371451771466154
Energy: 2.08132686945783
Energy: 2.2206220402561616
Energy: 2.1618698248422725
Energy: 2.212210382752252
Energy: 2.1933464470185164
Energy: 2.1769249097489918
Energy: 2.2798049685615602
Energy: 2.1464183683372
Energy: 2.21892369169728
Energy: 2.2193678646356356
Energy: 2.1326048302401293
Energy: 2.2465216320515724
Energy: 2.258063371255378
Energy: 2.1071934412169444
Energy: 2.3772831240172216
Energy: 2.3260083318190805
Energy: 2.262936055895033
Energy: 2.155528868654094
Energy: 2.1672301848091684
Energy: 2.3257354438216273
Energy: 2.2282649130519303
Energy: 2.185093917686396
Energy: 2.3062775780621645
Energy: 2.2062782677714696
Energy: 2.1822592449360165
Energy: 2.340917065671008
Energy: 2.3643976800034454
Energy: 2.357387234900397
Energy: 2.2924917548210955
Energy: 2.2403848666551034
Energy: 2.251604098433902
Energy: 2.3722263948075333
Energy: 2.3587377370261007
Energy: 2.2932024258675314
Energy: 2.3494591578640787
Energy: 2.2194352342925225
Energy: 2.2976264375768225
Energy: 2.4121705806830884
Energy: 2.507906434057142
Energy: 2.409584230230173
Energy: 2.3468886248981624
Energy: 2.41898849737784
Energy: 2.202467612169291
Energy: 2.3264081659912708
Energy: 2.2299906506493556
Energy: 2.410380718026544
Energy: 2.3431044689069664

minimum gb energy = 2.059368749014397 eV
minimum distance =  2.43697164730853 Angstroms
sigma value = 113


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

Energy: 2.452932504687213
Energy: 2.5100765644535232
Energy: 2.320072018705447
Energy: 2.36707424114216
Energy: 2.371938480383487
Energy: 2.3775077760923566
Energy: 2.4874656232830974
Energy: 2.412638742744273
Energy: 2.3714440107856225
Energy: 2.4757326180737187
Energy: 2.3774188790203685
Energy: 2.3526417644866244
Energy: 2.4806523271326086
Energy: 2.4004771684808115
Energy: 2.3325651193808357
Energy: 2.3532649971463453
Energy: 2.33704239045897
Energy: 2.328337425904783
Energy: 2.3417287169340093
Energy: 2.3072657815690536
Energy: 2.304000680405218
Energy: 2.3164454396259777
Energy: 2.42965904772272
Energy: 2.3169315859785544
Energy: 2.3734561976627657
Energy: 2.3270294981980277
Energy: 2.379265299602081
Energy: 2.4742290311433304
Energy: 2.252310498820114
Energy: 2.3694344879016978
Energy: 2.2864585631001644
Energy: 2.355125271012734
Energy: 2.3706129121925406
Energy: 2.2746343310804362
Energy: 2.280655449010833
Energy: 2.248794792943501
Energy: 2.3068488311246935
Energy: 2.3668388998343324
Energy: 2.295759283667843
Energy: 2.1731214347664247
Energy: 2.216771134961554
Energy: 2.320332702610826
Energy: 2.2922848464824312
Energy: 2.4729826793336387
Energy: 2.163931564683472
Energy: 2.267416847879154
Energy: 2.264255648048186
Energy: 2.3477496212968867
Energy: 2.3094529883465147
Energy: 2.483995971321696
Energy: 2.246244413269688
Energy: 2.3191797135090018
Energy: 2.2879954474131834
Energy: 2.2684930795339215
Energy: 2.3232151015525937
Energy: 2.284447223124783
Energy: 2.25520632029761
Energy: 2.2956959550258076
Energy: 2.30288031613587
Energy: 2.3772828433509225
Energy: 2.321511695259294
Energy: 2.3858161069139108
Energy: 2.3446946038034318
Energy: 2.2849697871956214
Energy: 2.26498947648774
Energy: 2.1881663856249225
Energy: 2.261734224800107
Energy: 2.361574397679747
Energy: 2.3046179160390188
Energy: 2.2595546419854653
Energy: 2.303204655315942
Energy: 2.2601792914052052
Energy: 2.382822110388099
Energy: 2.256174755327369
Energy: 2.26208535179684
Energy: 2.2312520554208577
Energy: 2.345932329508336
Energy: 2.2830475670877988
Energy: 2.4319771488285133
Energy: 2.262237778218389
Energy: 2.2557291409503697
Energy: 2.2852563828735675
Energy: 2.270112349549744
Energy: 2.3602086365074144
Energy: 2.355078426712675
Energy: 2.3608330335007515
Energy: 2.3012478846487645
Energy: 2.258040337588315
Energy: 2.258706287935437
Energy: 2.229083829064857
Energy: 2.2616418508192306
Energy: 2.3137152914850643
Energy: 2.3682393814730993
Energy: 2.3774841405617684
Energy: 2.303025436685815
Energy: 2.3088512809960093
Energy: 2.292972195547338
Energy: 2.3765669040272366
Energy: 2.235212366318504
Energy: 2.306586020911581
Energy: 2.1961981652710416
Energy: 2.3145162189412334
Energy: 2.21389396340764
Energy: 2.2764469021765876
Energy: 2.31191434729278
Energy: 2.2300652752169627
Energy: 2.286215985125098
Energy: 2.300459157383602
Energy: 2.307746139963068
Energy: 2.3100827367411823
Energy: 2.3482060997377077
Energy: 2.3224142531865195
Energy: 2.334516915347881
Energy: 2.4469814638680045
Energy: 2.3181191835397743
Energy: 2.296394782492902
Energy: 2.299197235094991
Energy: 2.3271788178684956
Energy: 2.3433721787655215
Energy: 2.3509059792759124
Energy: 2.3521246643709164
Energy: 2.2959890019226945
Energy: 2.314723609484932
Energy: 2.2373115074062517
Energy: 2.2380850622041755
Energy: 2.319762549862376
Energy: 2.358427151894526
Energy: 2.3789394585109633
Energy: 2.364447771867184
Energy: 2.3606108744677576
Energy: 2.3525585463472605
Energy: 2.35259504417785
Energy: 2.408858666837962
Energy: 2.4315540904795414
Energy: 2.3743681496153326
Energy: 2.237435238112409
Energy: 2.2701428680692164
Energy: 2.392851393993777
Energy: 2.3102964005348854
Energy: 2.4794126155082745
Energy: 2.31438543248285
Energy: 2.306593450668802
Energy: 2.3067134858429124
Energy: 2.3803899212324726
Energy: 2.391210424563785
Energy: 2.4364990873610513
Energy: 2.3538547718752403
Energy: 2.548183716653242
Energy: 2.3059749063199027
Energy: 2.3241381881392433
Energy: 2.3547391454374087
Energy: 2.398791786981874
Energy: 2.3079472086040442
Energy: 2.3605201249873096
Energy: 2.4430063836000637
Energy: 2.40449736217644
Energy: 2.3190343980796806
Energy: 2.3709516509064597
Energy: 2.369848545852918
Energy: 2.391873299611361
Energy: 2.3780518092958767
Energy: 2.412359758028561
Energy: 2.3740193161018404
Energy: 2.418288367875765
Energy: 2.4841772286280697
Energy: 2.3530869700170993
Energy: 2.3533237649204146
Energy: 2.4022693943373854
Energy: 2.2051970412080464
Energy: 2.3642241952495975
Energy: 2.316378357908584
Energy: 2.327475159774722
Energy: 2.259380918226141
Energy: 2.3148980216346624
Energy: 2.3098965634286763
Energy: 2.3126219097809697
Energy: 2.427494996063489
Energy: 2.316403223692032
Energy: 2.4143070031941365
Energy: 2.3272091990127666
Energy: 2.3760097929225767
Energy: 2.3392723990087325
Energy: 2.2765761490330196
Energy: 2.3753439095305557
Energy: 2.2804303816734772
Energy: 2.355311685434736
Energy: 2.435241238456622
Energy: 2.275176022197635
Energy: 2.278023015438981
Energy: 2.2426632170231127
Energy: 2.3065970572421164
Energy: 2.367750197604123
Energy: 2.2940409660366465
Energy: 2.17201225333882
Energy: 2.227546729694586
Energy: 2.325151453713839
Energy: 2.326143478651364
Energy: 2.4742978144951056
Energy: 2.409199172141778
Energy: 2.338586243820194
Energy: 2.2613003043253737
Energy: 2.348396320165914
Energy: 2.3130678834468985
Energy: 2.480527084743369
Energy: 2.2432003549383865
Energy: 2.26132545868364
Energy: 2.286831754737477
Energy: 2.2685868307033656
Energy: 2.25864025504569
Energy: 2.2841767080528177
Energy: 2.2714256313566574
Energy: 2.290742659402074
Energy: 2.301824332471469
Energy: 2.376901783040512
Energy: 2.318165287940891
Energy: 2.309774884166914
Energy: 2.348426008398218
Energy: 2.326734986938281
Energy: 2.265062556556714
Energy: 2.3417089769137314
Energy: 2.260419568406457
Energy: 2.2691422495354505
Energy: 2.281965679361853
Energy: 2.262128910334583
Energy: 2.30598434713654
Energy: 2.26083673370278
Energy: 2.3764546387188665
Energy: 2.2573365136173966
Energy: 2.262419983604565
Energy: 2.2344091017286627
Energy: 2.3642446640130106
Energy: 2.3311624668218087
Energy: 2.433711275527291
Energy: 2.316862071220236
Energy: 2.268363616104993
Energy: 2.2085556622899656
Energy: 2.2658612021089573
Energy: 2.354893416038862
Energy: 2.3570520636015733
Energy: 2.2657651509624706
Energy: 2.2610015299324133
Energy: 2.2610904685189657
Energy: 2.25779242069284
Energy: 2.2897192628904386
Energy: 2.231082639857681
Energy: 2.318172482472893
Energy: 2.367289943567574
Energy: 2.377626994357171
Energy: 2.310349096408054
Energy: 2.3084020754439614
Energy: 2.4118600360843185
Energy: 2.3753067505044183
Energy: 2.254104522941689
Energy: 2.2998617495489446
Energy: 2.3305411051899303
Energy: 2.3140034261042133
Energy: 2.2125656544684937
Energy: 2.283063933581262
Energy: 2.333573350406993
Energy: 2.2263370086405088
Energy: 2.2543923687157355
Energy: 2.246277406129898
Energy: 2.2901454456399537
Energy: 2.3105777736896953
Energy: 2.3442854612782438
Energy: 2.3238194227542124
Energy: 2.3307767241975546
Energy: 2.4626778339865845
Energy: 2.3198496890077753
Energy: 2.292775147064248
Energy: 2.2904075248287645
Energy: 2.271237969157916
Energy: 2.3418941199539693
Energy: 2.3580116676363545
Energy: 2.350584540695273
Energy: 2.2974250375835887
Energy: 2.3144951089030896
Energy: 2.3293494240677584
Energy: 2.2598526835134582
Energy: 2.315976681298147
Energy: 2.36119361107318
Energy: 2.37675344033626
Energy: 2.3709959808987606
Energy: 2.392801292780017
Energy: 2.3539172481131816
Energy: 2.2662059202636864
Energy: 2.4054446296595207
Energy: 2.4300177157607923
Energy: 2.419100262817558
Energy: 2.2382270111115776
Energy: 2.2716200936233486
Energy: 2.282523071540947
Energy: 2.3283655202572278
Energy: 2.479436215358888
Energy: 2.3000961290475197
Energy: 2.3048136826088768
Energy: 2.3071389602151178
Energy: 2.3881488388005017
Energy: 2.390280415668457
Energy: 2.439004401798293
Energy: 2.360728796105998
Energy: 2.559787177442791
Energy: 2.3065316950063743
Energy: 2.3239457167748006
Energy: 2.3388127424773892
Energy: 2.3900201624821045
Energy: 2.3092120246005376
Energy: 2.3528208106382578
Energy: 2.442840175225948
Energy: 2.4101096660689434
Energy: 2.334683415347715
Energy: 2.3754840531874812
Energy: 2.368005419060849
Energy: 2.399460961757336
Energy: 2.374746435739302

minimum gb energy = 2.163931564683472 eV
minimum distance =  2.43787807748968 Angstroms
sigma value = 365


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

Energy: 2.123623505747572
Energy: 2.1131833906545214
Energy: 2.1129391549980903
Energy: 2.1151201697342263
Energy: 2.1160457381192477
Energy: 2.1141745361298976
Energy: 2.1132771533035855
Energy: 1.978141076502504
Energy: 2.4016033464565276
Energy: 2.2655054995789845
Energy: 2.0851427418521875
Energy: 2.112608948975541
Energy: 2.2682404463865424
Energy: 2.4094410743719212
Energy: 2.1208206962455214
Energy: 2.3576726666407763
Energy: 2.1119504431881
Energy: 2.1128506156833007
Energy: 2.113990266833818
Energy: 2.1122144021431923
Energy: 2.084491975116747
Energy: 2.1203132647552514
Energy: 2.3565113453636823
Energy: 2.1100574741609175
Energy: 2.1139495469531675
Energy: 2.116632278333873
Energy: 2.1120579025945
Energy: 2.208376561073469
Energy: 1.9789584604881072
Energy: 2.4093641016270815
Energy: 2.1021323366975735
Energy: 2.2486774634345377
Energy: 2.0844675304369216
Energy: 2.101149565507544
Energy: 2.4122436931915843
Energy: 2.123786933195644
Energy: 2.379413621670444
Energy: 2.1105352062417047
Energy: 2.115660265362396
Energy: 2.1156119050075515
Energy: 2.11528721447513
Energy: 2.113869120512371
Energy: 2.1225938068546504
Energy: 2.3961647147851473
Energy: 2.11114664034521
Energy: 2.214932466814155
Energy: 2.1139373054760773
Energy: 2.11232319078526
Energy: 2.3814196159852026
Energy: 2.1218275254680927
Energy: 2.3799948484368647
Energy: 2.1118959096110235
Energy: 2.1140457796200955
Energy: 2.113774816349492
Energy: 2.1125861012500433
Energy: 2.3817202011260696
Energy: 2.125574385508265
Energy: 2.366321902805205
Energy: 2.1109412258182267
Energy: 2.1147141029301246
Energy: 2.115677628581734
Energy: 2.1102479977859887
Energy: 2.113366282756082
Energy: 2.2458110252241807
Energy: 2.292356485895747
Energy: 2.1011450746046956
Energy: 2.2491073020118324
Energy: 2.2482478949012656
Energy: 2.1091123967571757
Energy: 2.4116487289047335
Energy: 2.127723313445946
Energy: 2.3592177613884115
Energy: 2.110002899993924
Energy: 2.115809017532258
Energy: 2.116315238746144
Energy: 2.1101535360879597
Energy: 2.1135289691179993
Energy: 2.1217472774290562
Energy: 2.393871932827823
Energy: 2.1111513335798207
Energy: 2.1139009129130715
Energy: 2.1132956695771195
Energy: 2.1127783776655966
Energy: 2.372816149222535
Energy: 2.121548659399449
Energy: 2.395545475194602
Energy: 2.1115725070943845
Energy: 2.2061210273226
Energy: 2.113877726687118
Energy: 2.1122863830391423
Energy: 2.394832966423983
Energy: 2.122749885265981
Energy: 2.252950148217427
Energy: 2.1132584226466564
Energy: 2.1156309782108234
Energy: 2.1152783046172896
Energy: 2.1094212570784827
Energy: 2.114596719926062
Energy: 1.9796228907163982
Energy: 2.4066389841407347
Energy: 2.1014305284806585
Energy: 2.0849541267456897
Energy: 2.205464788167591
Energy: 2.2714066313952577
Energy: 2.408928191219402
Energy: 2.1198133656661065
Energy: 2.35233097257568
Energy: 2.111326225286801
Energy: 2.1130064477976047
Energy: 2.1134457797027117
Energy: 2.1119088683990146
Energy: 2.2047608096247187
Energy: 2.1201529088776025
Energy: 2.3575477945990864
Energy: 2.110863400411684
Energy: 2.113717660853095
Energy: 2.114172122833759
Energy: 2.1129063161278614
Energy: 2.205017189115069
Energy: 1.9793612211484655
Energy: 2.406322165379412
Energy: 2.2710093036581513
Energy: 2.205116182857257
Energy: 2.0869695286781327
Energy: 2.2716234218233176
Energy: 2.40923390027556
Energy: 2.122511548729
Energy: 2.2530982018516013
Energy: 2.112422982616539
Energy: 2.116927639841468
Energy: 2.116360888410047
Energy: 2.1141808596619804
Energy: 2.114160181331016
Energy: 2.122318293742228
Energy: 2.3993272529870078
Energy: 2.114882006038943
Energy: 2.0847055039833964
Energy: 2.1134620014343253
Energy: 2.1149121412740377
Energy: 2.4026032556031276

minimum gb energy = 1.978141076502504 eV
minimum distance =  2.46438861317076 Angstroms
sigma value = 23