Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtNi__MO_020840179467_002
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917371571063995
cohesive_energy=5.770453839400052
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[3.17466493497198e-19, 4.1841964320553797e-19, 4.93795645128702e-19, 5.548081335280559e-19, 6.0612585111507595e-19, 6.50240182555632e-19, 6.886683891221219e-19, 7.224246486238679e-19, 7.52225134016268e-19, 7.786001657651759e-19, 8.019599010888959e-19, 8.22624775314228e-19, 8.408559432325139e-19, 8.56869698689344e-19, 8.70843883291092e-19, 8.82930703817988e-19, 8.932631409306539e-19, 9.019533469934699e-19, 9.09100656957744e-19, 9.14791588361712e-19, 9.19107852213708e-19, 9.22115137755726e-19, 9.2387913422976e-19, 9.24455917818e-19, 9.23834273284008e-19, 9.218155307251679e-19, 9.181401375267718e-19, 9.12498873598458e-19, 9.0451682960787e-19, 8.93745396097488e-19, 8.796382308351179e-19, 8.61527226164382e-19, 8.38600078531842e-19, 8.09845814481444e-19, 7.74013134062034e-19, 7.2953510852556e-19, 6.744362540823e-19, 6.061931425337039e-19, 5.2156457054919e-19, 4.1633040487480194e-19, 2.8494070565036395e-19, 1.199791574547534e-19, -8.859588176562479e-20, -3.5464340011253396e-19, -6.97626158682816e-19, -1.1455482824268298e-18, -1.73969145449622e-18, -2.5428465793540796e-18, -3.6539240315004e-18, -5.2355767828188596e-18, -7.56973985559444e-18, -1.117848250601604e-17, -1.71147712397148e-17, -2.77626769316154e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.02321289063763574
Energy: 0.9118989444730701
Energy: 0.9109510305866403
Energy: 1.434605532505616
Energy: 1.4348918377341624
Energy: 1.5920766809603821
Energy: 0.024930805367128155
Energy: 0.15834490412310148
Energy: 1.5098852346028349
Energy: 0.8320062168958451
Energy: 0.9107637521521669
Energy: 0.9113688063071459
Energy: 0.024548862963718356
Energy: 0.1592186463666733
Energy: 0.02389719781253886
Energy: 1.4330832388001915
Energy: 1.6973964621901354
Energy: 1.27371774055999
Energy: 1.1513480574871346
Energy: 1.2811012703848965
Energy: 0.15928411740843865
Energy: 0.026742935354793433
Energy: 0.9115186204090402
Energy: 0.9108250655747846
Energy: 1.434139028297632
Energy: 1.4352725477897188
Energy: 1.2819805827189754
Energy: 0.02509835448769996
Energy: 0.5157020566840604
Energy: 1.5148979423085172
Energy: 0.8314250699796183
Energy: 0.9104583364582527
Energy: 0.9110394909784455
Energy: 0.024127638720862977
Energy: 0.15725423653512413
Energy: 0.023729401097981277
Energy: 1.2737428817704857
Energy: 1.6974437313185549
Energy: 1.273471144234212
Energy: 1.1506490140366763
Energy: 1.2805971478104525
Energy: 0.15961269028982564

minimum gb energy = 0.02321289063763574 eV
minimum distance =  2.74573039646884 Angstroms
sigma value = 5


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

Energy: 2.003675527321818
Energy: 2.562920275050798
Energy: 2.2611100657811654
Energy: 2.403281337015742
Energy: 2.379675652647644
Energy: 2.260128691624876
Energy: 2.399936223956706
Energy: 1.9623724495262094
Energy: 2.422057817300575
Energy: 2.169915468912098
Energy: 2.5196781512736033
Energy: 2.4719526684983393
Energy: 2.2406234840616372
Energy: 2.383300294990513
Energy: 2.075442060553863
Energy: 2.362000722060611
Energy: 2.064381558965331
Energy: 2.3280099473938907
Energy: 2.415617277432084
Energy: 2.0816607644746337
Energy: 2.355699493990413
Energy: 2.0916964286024453
Energy: 2.401389991673793
Energy: 2.040183546194999
Energy: 2.2105767456113554
Energy: 2.3218260868745526
Energy: 2.2379687349765316
Energy: 2.445758226637544
Energy: 2.140267602644763
Energy: 2.4472932876940057
Energy: 2.0436473740878833
Energy: 2.2187482603058912
Energy: 2.262440527360737
Energy: 2.1902126057343776
Energy: 2.5700847588091564
Energy: 2.4109915336034384
Energy: 2.405000482085952
Energy: 2.1203118436775146
Energy: 2.1885758092223084
Energy: 2.319157439363451
Energy: 2.3131536737344494
Energy: 2.5062538702725448
Energy: 2.2183658455756277
Energy: 2.3763403728730044
Energy: 2.0271279934308652
Energy: 2.264865802693642
Energy: 2.286562242565932
Energy: 2.1547460164448364
Energy: 2.519486405770034
Energy: 1.88141433086157
Energy: 2.3545719912303635
Energy: 2.0467584335341957
Energy: 2.291275102701284
Energy: 2.324602694610633
Energy: 2.155839036522851
Energy: 2.492600150472826
Energy: 2.06955671861601
Energy: 2.3489858988240395
Energy: 2.253433778489091
Energy: 2.456648600798021
Energy: 2.3178645863334335
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Energy: 2.302406588039982
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Energy: 2.274837254867802
Energy: 2.2823392207368007
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Energy: 2.26963920845668
Energy: 1.8432390811191173
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Energy: 2.1960864862592833
Energy: 2.4809121425275587
Energy: 2.2943173401523183
Energy: 2.1784830862232742
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Energy: 2.2277701124163314
Energy: 2.0064388281734673
Energy: 2.382044083270352
Energy: 2.299133679879122
Energy: 2.3979258476900696
Energy: 2.328917593923501
Energy: 2.276130697155984
Energy: 2.314421464822188
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Energy: 2.106009015494326
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Energy: 2.272067499049762
Energy: 2.1696856288477933
Energy: 2.376719297920449
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Energy: 2.24097903584539
Energy: 2.25137549574526
Energy: 2.3096897622650547
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Energy: 2.1754704211179736
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Energy: 2.0413203812078518
Energy: 2.24965499850227
Energy: 2.2209363114046825
Energy: 2.191271179373029
Energy: 2.3422097263339143
Energy: 1.9295270725920095
Energy: 2.4233642990546684
Energy: 2.0194163670145975
Energy: 2.2521413503813603
Energy: 2.2632408153661547
Energy: 2.1636037707390265
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Energy: 2.3238653984263418
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Energy: 2.2356407904422166
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Energy: 1.8545684496838224
Energy: 2.3836668431481365
Energy: 2.157733182151544
Energy: 2.5478651154331584
Energy: 2.498700274159325
Energy: 2.3455299172027932
Energy: 2.330740982616901
Energy: 1.9149579237693994
Energy: 2.4103870666213076
Energy: 2.0957929675439466
Energy: 2.357310076772932
Energy: 2.262056705854423
Energy: 2.1445614135952167
Energy: 2.377861008800174
Energy: 2.1027588351450093
Energy: 2.4130860018584945
Energy: 2.0016485840730627
Energy: 2.2644748548001403
Energy: 2.33377373053263
Energy: 2.1530884156441417
Energy: 2.38798698639731
Energy: 2.3688211252846783
Energy: 2.451141401025768
Energy: 2.013273130932505
Energy: 2.16366820963779
Energy: 2.3057964931722985
Energy: 2.1898081043616044
Energy: 2.4961345277009066
Energy: 2.4193570757346947
Energy: 2.398010675239472
Energy: 2.051903347645292
Energy: 2.192674676623885
Energy: 2.284809362177086
Energy: 2.1875252102247025
Energy: 2.4172481037989844
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Energy: 2.0243774501896663
Energy: 2.3762752534721265
Energy: 2.0351059957355253
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Energy: 2.0181846778954826
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Energy: 2.2192317633603325
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Energy: 1.962814172010692
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Energy: 2.2968149114007823
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Energy: 2.192033302545772
Energy: 2.2942281213023747
Energy: 2.117694141331395
Energy: 2.4059754763721335
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Energy: 2.2794746950892693
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Energy: 2.341555277482004
Energy: 2.1720661740527656
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Energy: 2.061780605891553
Energy: 2.2376612474419857
Energy: 2.227458858381251
Energy: 2.114558947159389
Energy: 2.372855682877902
Energy: 1.9233843839902918
Energy: 2.410273646161086
Energy: 2.044764387100919
Energy: 2.2837618608210923
Energy: 2.254135380406585
Energy: 2.0837235919898087
Energy: 2.41824733620873
Energy: 2.2148171737877096
Energy: 2.313823863013225
Energy: 1.933777759113054
Energy: 2.2400935655724976
Energy: 2.28643438602553
Energy: 2.107170717385756
Energy: 2.4707633748087683
Energy: 2.241582584614203
Energy: 2.3700401989722693
Energy: 2.174216514516281
Energy: 2.193079606454631
Energy: 2.3314300356046957
Energy: 2.3354015635747554
Energy: 2.4911938704265837
Energy: 2.103067742705617
Energy: 2.5206224430993363
Energy: 2.072068839551286
Energy: 2.1747535726008502
Energy: 2.2069482355963665
Energy: 2.2075176024150447
Energy: 2.3771267178106084
Energy: 2.1134100159536633
Energy: 2.3465591761012075
Energy: 2.243567057451553
Energy: 2.2937455657649686
Energy: 2.3561096574185583
Energy: 2.3220202271342902
Energy: 2.4757215652424396
Energy: 1.997322585089898
Energy: 2.3035661648096295
Energy: 2.2356799684190176
Energy: 2.5683360465509693
Energy: 2.4379044114880744
Energy: 2.0726030625881355
Energy: 2.2825899199871977
Energy: 1.9021359050095548
Energy: 2.2869833183541184
Energy: 2.2560746010316963
Energy: 2.5193761953395857
Energy: 2.226211903604112
Energy: 2.2169930076223503
Energy: 2.2980032521888996
Energy: 2.019113302352082
Energy: 2.3930867931515802
Energy: 2.2705311689438914
Energy: 2.3451665573685734
Energy: 2.3281576510566286
Energy: 2.182834686174912
Energy: 2.3111141385544305

minimum gb energy = 1.8414696654108564 eV
minimum distance =  2.41209798497346 Angstroms
sigma value = 401


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

Energy: 1.8439795214649222
Energy: 2.3471286174408377
Energy: 2.182022972658011
Energy: 2.487443250995704
Energy: 2.2445018688925717
Energy: 2.1075862253725677
Energy: 2.0701549967359236
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Energy: 2.6575446164313687
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Energy: 2.1369227757263487
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Energy: 2.3521729415889974
Energy: 2.186424652054628
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Energy: 2.2817076347341074
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Energy: 2.7214709050756016
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Energy: 2.122904684904634
Energy: 2.3642925325539035
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Energy: 2.222642839110172
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Energy: 2.1291844796454806
Energy: 2.3956422739417995
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Energy: 2.0630988433549664
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Energy: 2.188570311062688
Energy: 2.4113353253245307
Energy: 2.5646576754916266
Energy: 2.348794107630097
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Energy: 1.8028111321639346
Energy: 2.1404581052370415
Energy: 2.3904059976503365
Energy: 2.544496114246752
Energy: 2.4317069001249947
Energy: 2.2644723745376143
Energy: 2.0348004439697687
Energy: 1.9261180485321832
Energy: 2.2630095223849316
Energy: 1.9567656192395468
Energy: 2.3609986061363384
Energy: 2.3385044695200117
Energy: 2.129417489239166
Energy: 2.183781390578212
Energy: 1.9515871190658507
Energy: 2.6733389816914923
Energy: 1.936168806714469
Energy: 2.1157717168124357
Energy: 2.29558699259114
Energy: 2.114464664117209
Energy: 2.4470304691561173
Energy: 2.195664031793821
Energy: 2.275147907736729
Energy: 1.8033822758259936
Energy: 2.0322177189551685
Energy: 2.2498509335969357
Energy: 2.235496738239681
Energy: 2.535393175149263
Energy: 2.1408405802448343
Energy: 2.313641326895087
Energy: 1.8294537919674363
Energy: 1.9728751964855216
Energy: 2.31128004135246
Energy: 2.1896426531286726
Energy: 2.6376022436637663
Energy: 2.115790023338688
Energy: 2.145867254598255
Energy: 1.9272224546468284
Energy: 2.106834857140154
Energy: 2.1789594618932417
Energy: 2.12582185853035
Energy: 2.5763296128380895
Energy: 2.2277913228638
Energy: 2.201180022872568
Energy: 1.992471577689256
Energy: 1.993460994968833
Energy: 2.218010939864057
Energy: 2.142160341255464
Energy: 2.6253612093972576
Energy: 1.8062490713671537
Energy: 2.4293115521773454
Energy: 2.246743239624657
Energy: 2.4171011231475448
Energy: 2.4503657691737284
Energy: 2.2315013520069504
Energy: 2.3122745838094563
Energy: 1.932692907319113
Energy: 2.1260246134495455
Energy: 2.2109806219307497
Energy: 2.7040859831237984
Energy: 2.1495682171139316
Energy: 2.0221011177083548
Energy: 2.114329805264051
Energy: 1.803260060467687
Energy: 2.134044217180162
Energy: 2.418850951123724
Energy: 2.6108094374981916
Energy: 2.3658514428700057
Energy: 2.226096930616083
Energy: 2.03603401016966
Energy: 1.834999157969701
Energy: 2.1384781672483815
Energy: 2.3872407054894738
Energy: 2.5600206030637493
Energy: 2.4156830622645
Energy: 2.222047212229275
Energy: 2.1866749708612034
Energy: 1.9455015555245168
Energy: 2.2615697297018937
Energy: 2.0139963960275415
Energy: 2.370110728081887
Energy: 2.3411316869259617
Energy: 2.2094267122047153
Energy: 2.111620004859339
Energy: 1.9464459964473697
Energy: 2.519790818453707
Energy: 1.9303525249773938
Energy: 2.1455927926936074
Energy: 2.258439104050986
Energy: 2.11707157940377
Energy: 2.42585356466049
Energy: 1.9594286203954905
Energy: 2.567843282400214
Energy: 1.8037090098552404
Energy: 2.179880089376744
Energy: 2.2709335273671574
Energy: 2.0609251819320487
Energy: 2.6710173086037954
Energy: 2.154986985384763
Energy: 2.698298478754562
Energy: 1.8288842362146154
Energy: 2.0267399804214605
Energy: 2.3257636922125124
Energy: 2.179744198933678
Energy: 2.7786266350682087
Energy: 2.309775193109336
Energy: 2.285864460303116
Energy: 1.906949085672427
Energy: 1.9863124665646814
Energy: 2.1691414041238124
Energy: 2.1216598754047182
Energy: 2.602759199387799
Energy: 2.1741783901651672
Energy: 2.371446005236149
Energy: 1.998406712957067
Energy: 1.9925374015881292
Energy: 2.1754859229099677
Energy: 2.142474920717383
Energy: 2.561336155241563
Energy: 1.8026865469599518
Energy: 2.357050369874203
Energy: 2.0086854341660074
Energy: 2.3304934300895246
Energy: 2.365645004136779
Energy: 2.3903713428260147
Energy: 2.2179682470734234
Energy: 1.9268247092979596
Energy: 2.1475983683198785
Energy: 2.199056405078856
Energy: 2.6141326944759715
Energy: 2.318141279128212
Energy: 2.132101310591004
Energy: 2.0575588270922776
Energy: 1.7990734719533732
Energy: 2.2695643784539876
Energy: 2.525902431802887
Energy: 2.5032955991915706
Energy: 2.5354600421019784
Energy: 1.9131904043817782
Energy: 2.0248477141218455

minimum gb energy = 1.7990734719533732 eV
minimum distance =  2.46711155297542 Angstroms
sigma value = 311


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

Energy: 2.183818996218782
Energy: 2.4718962870335117
Energy: 2.0734739288912416
Energy: 2.281190793113164
Energy: 2.160459844125734
Energy: 2.088002434223694
Energy: 2.4243262479310577
Energy: 2.0872199343562117
Energy: 2.261263561261567
Energy: 2.23661968394868
Energy: 2.2464339775403417
Energy: 2.3396278197037867
Energy: 2.285567353445585
Energy: 2.408710527984896
Energy: 2.1562760973476043
Energy: 2.3677439373957747
Energy: 2.1774737027724123
Energy: 2.2459368150204346
Energy: 2.3635943961481787
Energy: 2.2501542668868018
Energy: 2.409521382192145
Energy: 2.043238134847716
Energy: 2.3384388594597576
Energy: 2.042912497751985
Energy: 2.45450171878196
Energy: 2.2957490556248183
Energy: 2.0359821622088976
Energy: 2.3148588989106975
Energy: 2.1208775041701005
Energy: 2.555113959726668
Energy: 2.2135641407783644
Energy: 2.282827327845814
Energy: 2.0833049476707743
Energy: 2.0840340288777357
Energy: 2.3863301200589158
Energy: 2.0954545199634325
Energy: 2.415154188925766
Energy: 2.1290470197434974
Energy: 2.471654815196296
Energy: 2.293358401439329
Energy: 2.1825344623624963
Energy: 2.4578692030808225
Energy: 2.064753399900098
Energy: 2.4504968237422946
Energy: 2.0899741167882064
Energy: 2.3339883366978658
Energy: 2.3163708689140585
Energy: 2.0507590252083316
Energy: 2.317455310400172
Energy: 2.0714906584463497
Energy: 2.3248857353988335
Energy: 2.0877458268001594
Energy: 2.2947696601380803
Energy: 2.1836247548489935
Energy: 2.1383713307449415
Energy: 2.4394020782044055
Energy: 2.072269386733972
Energy: 2.363058446702573
Energy: 2.15538154286774
Energy: 2.26078478435592
Energy: 2.3954641071886007
Energy: 2.2373648037444807
Energy: 2.395081228770143
Energy: 2.0845301363687776
Energy: 2.2763039188346905
Energy: 2.0160599559335317
Energy: 2.402525462185695
Energy: 2.4422545153285102
Energy: 2.093964211096626
Energy: 2.3772551504694723
Energy: 2.166530855769856
Energy: 2.52185781143574
Energy: 2.113178115028137
Energy: 2.197773620352223
Energy: 2.2373802691721036
Energy: 2.1055010049768903
Energy: 2.5556757806396835
Energy: 2.133276769704413
Energy: 2.413488470823467
Energy: 2.094479004389508
Energy: 2.467229740955883
Energy: 2.223358382658024
Energy: 2.1116284969567256
Energy: 2.4497429878417223
Energy: 2.035604303119916
Energy: 2.4742178874235847
Energy: 2.0986889959336095
Energy: 2.32769745040838
Energy: 2.3122597255626203
Energy: 2.0560846884084496
Energy: 2.3238602886879662
Energy: 2.0069775197290705
Energy: 2.3841624418210206
Energy: 2.135578082590734
Energy: 2.3892795034438876
Energy: 2.198996470453918
Energy: 2.119657372021324
Energy: 2.370467048647957
Energy: 2.017769539264339
Energy: 2.464555932770585
Energy: 2.1086613292503653
Energy: 2.4482112723777907
Energy: 2.2223915174494664
Energy: 2.1872968731696507
Energy: 2.3606271298453287
Energy: 2.0649837609083694
Energy: 2.477587028218892
Energy: 2.170738472997061
Energy: 2.4357213900216736
Energy: 2.414983277433039
Energy: 2.2522178292841826
Energy: 2.34950136652303
Energy: 2.056596235857591
Energy: 2.370074036940439
Energy: 2.1465906751042696
Energy: 2.171373319701897
Energy: 2.2984200882923376
Energy: 2.1511688424946014
Energy: 2.5553742600999634
Energy: 2.2630546801782194
Energy: 2.3118508225757743
Energy: 2.226848967782546
Energy: 2.484110225448229
Energy: 2.4127668449897794
Energy: 2.4463593712959084
Energy: 2.4195204811248496
Energy: 2.044909090021744
Energy: 2.3518886104179573
Energy: 2.0384604005458886
Energy: 2.3138327518797954
Energy: 2.5018572805184323
Energy: 2.1141982159231065
Energy: 2.3915832208116727
Energy: 2.0176708669694015
Energy: 2.266459025344693
Energy: 2.074380926789679
Energy: 2.2886361350580744
Energy: 2.2826007839662315
Energy: 2.140197115514082
Energy: 2.384045770760404
Energy: 2.0186347532381985
Energy: 2.3644336428840855
Energy: 1.964561707875198
Energy: 2.3957521914169493
Energy: 2.33113979261579
Energy: 2.0007984565849566
Energy: 2.392431130356268
Energy: 2.070451142661708
Energy: 2.3480281954795243
Energy: 2.184969434926534
Energy: 2.485385209398714
Energy: 2.3219582876064253
Energy: 2.298450659057786
Energy: 2.3724784363014515
Energy: 2.110659888335161
Energy: 2.530251590995378
Energy: 2.185397537759151
Energy: 2.2635377684679074
Energy: 2.181809603825922
Energy: 2.1046435777372583
Energy: 2.48012749930986
Energy: 2.1071168063071806
Energy: 2.3279947812613684
Energy: 2.306359386570402
Energy: 2.379068170905064
Energy: 2.3189569826066014
Energy: 2.342427421668759
Energy: 2.4334964509011243
Energy: 2.0872883363592902
Energy: 2.367289908969728
Energy: 2.0884019566367082
Energy: 2.3045743626347037
Energy: 2.333672561359739
Energy: 2.0833151950081543
Energy: 2.478769013742744
Energy: 2.0660291543177545
Energy: 2.269204633633512
Energy: 2.110512403012087
Energy: 2.290909029540463
Energy: 2.2170978700556585
Energy: 2.042692443330784
Energy: 2.3066099693256086
Energy: 2.0401622317396293
Energy: 2.24868455342925
Energy: 2.0044049213032373
Energy: 2.391138965450435
Energy: 2.370823552531014
Energy: 2.130353415699885
Energy: 2.3818551554722163
Energy: 2.1712126909872747
Energy: 2.3979100342075963
Energy: 2.065855815698962
Energy: 2.386507105035383
Energy: 2.3866210307007325
Energy: 2.223590800786236
Energy: 2.464278724371844
Energy: 2.168177931161394
Energy: 2.4112788055393297
Energy: 2.1314888527974825
Energy: 2.2169164111344974
Energy: 2.2366306939496456
Energy: 2.1479935088036304
Energy: 2.5368281164973676
Energy: 2.1260694352473632
Energy: 2.3466849706110082
Energy: 2.1076431958443758
Energy: 2.3746446264551118
Energy: 2.3102651490536057
Energy: 2.118089462523108
Energy: 2.404191907098928
Energy: 2.06398798924324
Energy: 2.2066727199307032
Energy: 2.301729396532665
Energy: 2.201283658818752
Energy: 2.4016159339311423
Energy: 2.2618316286188325
Energy: 2.4262291503442883
Energy: 2.000263456365701
Energy: 2.3202388790716113
Energy: 2.181202847272296
Energy: 2.3346028477166363
Energy: 2.195468744076751
Energy: 2.081193148252904
Energy: 2.305007427874874
Energy: 1.9992691531603526
Energy: 2.338668192384295
Energy: 2.139086139580421
Energy: 2.459988440021759
Energy: 2.282382683098726
Energy: 2.0874636478644195
Energy: 2.2503679872179383
Energy: 2.05198183235784
Energy: 2.4578550932870336
Energy: 2.0595206296656956
Energy: 2.5290534557087936
Energy: 2.226651363352409
Energy: 2.181975527706103
Energy: 2.4896959668812784
Energy: 2.1877713300014325
Energy: 2.426265415659006
Energy: 2.1641682206998114
Energy: 2.161974031105596
Energy: 2.285638973891056
Energy: 2.2707720316540554
Energy: 2.173196913123096
Energy: 2.1799465105320506
Energy: 2.5159614170903795
Energy: 2.0805468937840357
Energy: 2.3983675494818484
Energy: 2.3602518044210083
Energy: 2.150827058939501
Energy: 2.3763059613888915

minimum gb energy = 1.964561707875198 eV
minimum distance =  2.42283051093406 Angstroms
sigma value = 39


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

Energy: 1.8782864015500458
Energy: 2.238380392176778
Energy: 2.306403192974935
Energy: 2.1442140318524334
Energy: 2.442160199286633
Energy: 2.2253016641384606
Energy: 1.8873069146947616
Energy: 1.9161067676548535
Energy: 2.32744045776474
Energy: 2.055311657710611
Energy: 2.0313317040352485
Energy: 2.033682792422316
Energy: 2.0592668587170957
Energy: 2.490766116447096
Energy: 2.819070011678904
Energy: 2.1159006898015456
Energy: 1.9135100713863185
Energy: 1.9706540071488052
Energy: 1.8761841307497589
Energy: 1.9263865997278118
Energy: 1.9860671439510613
Energy: 1.9119273699976416
Energy: 2.290799419224855
Energy: 1.9873893727041863
Energy: 1.985415981577455
Energy: 2.1211250881400234
Energy: 2.121033537692685
Energy: 2.374901759643615
Energy: 1.8716099690924548
Energy: 2.006483341769932
Energy: 1.953444936981994
Energy: 2.0338138795187226
Energy: 2.379157856145838
Energy: 2.218350804646819
Energy: 2.4043511643911044
Energy: 1.9889021764163872
Energy: 2.0472993854764523
Energy: 2.116468501054228
Energy: 2.5371276288541567
Energy: 2.006376334937875
Energy: 2.267844855880273
Energy: 2.477613925902155
Energy: 2.1795414803488584
Energy: 2.69339884428338
Energy: 2.43343297668466
Energy: 2.2235016828964804
Energy: 2.0633461277781033
Energy: 1.8771398920727176
Energy: 2.551406527133983
Energy: 1.8281570336446247
Energy: 2.432102302879652
Energy: 2.2757890155589453
Energy: 2.2333925385578755
Energy: 2.389448298990641
Energy: 2.272620183388719
Energy: 2.544529204624599
Energy: 1.8294241496464279
Energy: 2.2877385348180552
Energy: 2.2129617135905377
Energy: 2.3155896034231924
Energy: 2.164870732083001
Energy: 2.1199153365541834
Energy: 2.526311718482047
Energy: 2.1795046949852956
Energy: 2.4538049423518657
Energy: 2.0813937550924275
Energy: 2.0612710625472315
Energy: 1.9609633033762757
Energy: 2.00963634549566
Energy: 2.4075325780625714
Energy: 2.128260594116842
Energy: 2.041118046551034
Energy: 1.9198280299950863
Energy: 2.062907967621572
Energy: 2.330938935030511
Energy: 1.9194645413978388
Energy: 2.4823456735036302
Energy: 1.867648377651313
Energy: 2.1857211292280763
Energy: 1.9167346377703298
Energy: 2.113929761881083
Energy: 2.289551040951721
Energy: 2.1270470049946177
Energy: 2.4980658045455435
Energy: 1.8146613712263584
Energy: 1.9026763028621525
Energy: 2.0843413350615148
Energy: 2.1036533764239262
Energy: 1.9961614623604695
Energy: 2.305412762169772
Energy: 2.350216572960324
Energy: 2.154114408612121
Energy: 2.368278368310599
Energy: 1.912957350829711
Energy: 2.1613183565895575
Energy: 1.9947371133117842
Energy: 1.99257511820105
Energy: 2.3810550852150496
Energy: 1.8238369738227913
Energy: 2.265747649293461
Energy: 2.031095451562567
Energy: 2.214984888687231
Energy: 2.1026472078710685
Energy: 1.8361418482662444
Energy: 2.4917471886665497
Energy: 1.8710188910165848
Energy: 2.2773570616536634
Energy: 2.307408833048982
Energy: 1.9132785955960787
Energy: 2.393544300045762
Energy: 2.225813390248749
Energy: 1.9389221877772964
Energy: 1.9162886052744201
Energy: 2.330509817034739
Energy: 2.0705400232720987
Energy: 2.0334847321675955
Energy: 2.0343500768100236
Energy: 2.059268674580096
Energy: 2.4700201522606045
Energy: 2.8172420369494944
Energy: 2.1493566205392067
Energy: 1.914309257986284
Energy: 1.97044774433562
Energy: 1.8764556291240726
Energy: 1.9265146099125552
Energy: 2.1566790907377777
Energy: 1.9114198338457895
Energy: 2.2903988741104095
Energy: 1.9888099042750573
Energy: 2.093082474325323
Energy: 2.1533852357563856
Energy: 2.122248175894729
Energy: 2.4282028427496267
Energy: 1.8726713698990023
Energy: 1.8541267809377515
Energy: 1.9536826334447472
Energy: 2.0343562492465352
Energy: 2.3785471704742815
Energy: 2.2178554839962445
Energy: 2.397228502344694
Energy: 1.990277073203245
Energy: 2.197010379220555
Energy: 1.917048698065015
Energy: 2.5269924732499516
Energy: 1.88430379265458
Energy: 1.8769576612456822
Energy: 2.4783907467817703
Energy: 2.176704469470072
Energy: 2.693235839814341
Energy: 2.4333725307571807
Energy: 2.223645351741857
Energy: 2.052810378357113
Energy: 1.8862331949353717
Energy: 2.552523861621402
Energy: 1.8264992145515446
Energy: 2.4319962721165793
Energy: 2.3602621390823026
Energy: 1.973883159356487
Energy: 2.38965332988615
Energy: 2.272267929810762
Energy: 2.2251817350339165
Energy: 1.8291548070331756
Energy: 2.1914757848838105
Energy: 2.2130811832475104
Energy: 2.0062600968072752
Energy: 2.1657347339266293
Energy: 2.1430326283936565
Energy: 2.525786895645443
Energy: 2.1798132694888204
Energy: 2.4525306623357768
Energy: 2.0124982203698147
Energy: 1.944722783325071
Energy: 1.9607069413587654
Energy: 2.009745105092446
Energy: 2.407886877126254
Energy: 1.8652489919341313
Energy: 2.0428413050261014
Energy: 1.920504404922084
Energy: 2.268064702934303
Energy: 2.3317687047518896
Energy: 2.0010614926960124
Energy: 2.511057736970066
Energy: 1.871124232150314
Energy: 2.19018570902029
Energy: 1.9071030200586792
Energy: 2.0470441295023085
Energy: 2.2955289866589355
Energy: 2.1264163253654362
Energy: 2.1918174126189722
Energy: 1.837560102065297
Energy: 2.0538469921784306
Energy: 2.0851140460275217
Energy: 2.1025167066374593
Energy: 1.995830609831715
Energy: 2.313784044555446
Energy: 2.351193360064832
Energy: 2.1538691578862212
Energy: 2.406080884741262
Energy: 1.9118137684775782
Energy: 2.103419110881774
Energy: 1.9802752929899745
Energy: 1.9870940038655744
Energy: 2.3704889633035764
Energy: 1.8221634080646918
Energy: 2.267091894625689
Energy: 2.054167060759864
Energy: 2.169434754808705
Energy: 2.1008803987517757
Energy: 1.8349150677553696
Energy: 2.4928198751146535

minimum gb energy = 1.8146613712263584 eV
minimum distance =  2.49556948138718 Angstroms
sigma value = 21


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

Energy: 2.3348615749160033
Energy: 2.5224210254900075
Energy: 2.3245552903684663
Energy: 2.40256782400721
Energy: 2.267272982087387
Energy: 2.1861024147296044
Energy: 2.3467594212037777
Energy: 2.329957228228276
Energy: 2.4805235223552335
Energy: 2.3940571111921076
Energy: 2.2770160773417145
Energy: 2.4101179284104295
Energy: 2.1321942121070556
Energy: 2.6270980928905323
Energy: 2.416376256086454
Energy: 2.3969127917717
Energy: 2.197645657323718
Energy: 2.3235468157187005
Energy: 2.3363539059663996
Energy: 2.289310352355
Energy: 2.6369563277614936
Energy: 2.1109259143654486
Energy: 2.416070286908662
Energy: 2.053253373806331
Energy: 2.258312640751055
Energy: 2.2187814014570004
Energy: 2.0408488076715585
Energy: 2.4446545610243713
Energy: 2.0512359586826983
Energy: 2.1065820699514
Energy: 2.338399066586297
Energy: 2.270568521604856
Energy: 2.4806932490214226
Energy: 2.4713889651500143
Energy: 2.2969538354586994
Energy: 1.8706608049288815
Energy: 2.098664119542651
Energy: 2.199993171820417
Energy: 2.3783122387812283
Energy: 2.3941595393773376
Energy: 2.3436086901914406
Energy: 2.443299483485806
Energy: 2.3127121270401148
Energy: 2.585662157404705
Energy: 2.1390192956303635
Energy: 2.1411629032455246
Energy: 1.959747555411552
Energy: 1.9066484006630569
Energy: 2.3776733190113992
Energy: 2.125420208061823
Energy: 2.0472045849585996
Energy: 2.2069767570086385
Energy: 2.416345715402124
Energy: 2.1873064780441602
Energy: 2.065683575897499
Energy: 2.065331198955397
Energy: 2.0286068081029422
Energy: 2.4432437950559582
Energy: 2.3257537446931122
Energy: 2.381573663578292
Energy: 2.4690981650855046
Energy: 2.383842983524708
Energy: 2.5097657868333063
Energy: 2.2369390313862456
Energy: 2.3396053396310443
Energy: 2.0239740594028874
Energy: 2.362980452250434
Energy: 2.2638023678753405
Energy: 2.294465174978484
Energy: 2.2404924240534565
Energy: 2.2544067500143177
Energy: 2.433139982288778
Energy: 2.1728477861030737
Energy: 2.643365065843647
Energy: 2.3773726381226163
Energy: 2.165738884056272
Energy: 2.539197155944413
Energy: 2.1874065554051687
Energy: 2.694992926298864
Energy: 2.5635087523003426
Energy: 2.4792587341331087
Energy: 2.353715369940938
Energy: 2.3487187194423274
Energy: 2.425535979767788
Energy: 2.2547637509621543
Energy: 2.539484365563141
Energy: 2.392942566582902
Energy: 2.2970293001262085
Energy: 2.229297804920892
Energy: 2.2403336693426676
Energy: 2.298092453986281
Energy: 2.2666796629248545
Energy: 2.408364912854228
Energy: 2.3684969888977276
Energy: 2.1913916452948805
Energy: 2.3102363724638173
Energy: 2.3519940163137787
Energy: 2.5109278509718447
Energy: 2.2653696465466973
Energy: 2.789974182905753
Energy: 2.0998775892088544
Energy: 2.294325006045399
Energy: 2.2868042313631824
Energy: 2.2975630850884134
Energy: 2.5092963157175188
Energy: 2.5253995290649787
Energy: 2.349002244370775
Energy: 2.038743942863067
Energy: 2.443820747398896
Energy: 2.2117247023550997
Energy: 2.303457990254909
Energy: 2.4691893926588584
Energy: 2.0530888987732587
Energy: 2.350429036947466
Energy: 2.217171803895364
Energy: 2.254936317404621
Energy: 2.459738690346661
Energy: 2.255046105012476
Energy: 2.328850861304609
Energy: 1.9137485841840534
Energy: 2.0453926331670904
Energy: 2.3260817073089757
Energy: 2.6176084830427095
Energy: 2.60950262137135
Energy: 2.395616355623202
Energy: 2.413088341952843
Energy: 1.8720688976976718
Energy: 2.487549711972352
Energy: 2.27916893668709
Energy: 2.058922329756135
Energy: 1.915090293303135
Energy: 2.061719178940897
Energy: 2.1506651618992296
Energy: 2.3807314078633306
Energy: 2.41062572416252
Energy: 2.2247186802837278
Energy: 2.075297582016553
Energy: 2.12598707542873
Energy: 2.143448880076511
Energy: 2.3582725545757
Energy: 1.9549162495417416
Energy: 2.534299594385989
Energy: 2.28956825450988
Energy: 2.3923030446452813
Energy: 2.4374636532656955
Energy: 2.3200943507315293
Energy: 2.4460144448337893
Energy: 2.2359919528861694
Energy: 2.238048239797421
Energy: 2.0296065455583823
Energy: 2.2658060057314002
Energy: 2.4783335904557213
Energy: 2.342598438833263
Energy: 2.4230626027895306
Energy: 2.1809639133200935
Energy: 2.3710130866638246
Energy: 2.3886930809989835
Energy: 2.54287697014538
Energy: 2.15985570195123
Energy: 2.503237274542662
Energy: 2.4805407840194196
Energy: 2.208474520553042
Energy: 2.7773244193756055
Energy: 2.382484813142468
Energy: 2.4467592538825276
Energy: 2.327048286102156
Energy: 2.395951813385909
Energy: 2.7029641701793032
Energy: 2.303418232876986
Energy: 2.3436187869543845
Energy: 2.429836341067675
Energy: 2.3839006139111665
Energy: 2.1661876941230247
Energy: 2.4208976324854543
Energy: 2.4750284711670307

minimum gb energy = 1.8706608049288815 eV
minimum distance =  2.44620434109664 Angstroms
sigma value = 113


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

Energy: 2.396853211479482
Energy: 2.5062669501755472
Energy: 2.2963752225714145
Energy: 2.4125754480417974
Energy: 2.4534152870109955
Energy: 2.299837423088451
Energy: 2.5134472784023285
Energy: 2.433483835922347
Energy: 2.5455829165122896
Energy: 2.4242251655792204
Energy: 2.631323267772907
Energy: 2.595142934635236
Energy: 2.420062257424598
Energy: 2.6779671486584133
Energy: 2.4322538757707575
Energy: 2.4572067853346007
Energy: 2.2730281149255425
Energy: 2.3759251793261837
Energy: 2.3655095370469397
Energy: 2.3049910256414403
Energy: 2.445785417702687
Energy: 2.2200926615652095
Energy: 2.589042610463341
Energy: 2.254169229825534
Energy: 2.3603868523898495
Energy: 2.3119815877059273
Energy: 2.2217027500757824
Energy: 2.5388348156062377
Energy: 2.117272420562901
Energy: 2.35707827256415
Energy: 2.4068705140316555
Energy: 2.5124388839670515
Energy: 2.54456237390664
Energy: 2.426264347763314
Energy: 2.3870994757122093
Energy: 2.165321032613336
Energy: 2.373451390810204
Energy: 2.1961838293511993
Energy: 2.3908046263221014
Energy: 2.2525278683371774
Energy: 2.2434132965474616
Energy: 2.380085603151246
Energy: 2.329030521031378
Energy: 2.5200884886529518
Energy: 2.3649025360905953
Energy: 2.345343791355729
Energy: 2.2945343180477926
Energy: 2.437207592403516
Energy: 2.4563410805306467
Energy: 2.382650326545115
Energy: 2.383789576312015
Energy: 2.270681717300013
Energy: 2.39077787883477
Energy: 2.4041060946003014
Energy: 2.3474793106876346
Energy: 2.5001675996481207
Energy: 2.216859976044475
Energy: 2.543924333257524
Energy: 2.2910627475761833
Energy: 2.3619602092645415
Energy: 2.2867371107823113
Energy: 2.2276673673847127
Energy: 2.454054695174634
Energy: 2.172920095483906
Energy: 2.287942590683298
Energy: 2.3617917908982538
Energy: 2.518840896364691
Energy: 2.423947011977645
Energy: 2.384034274972892
Energy: 2.2889961104775227
Energy: 2.249552414496722
Energy: 2.255830806694716
Energy: 2.31198195496885
Energy: 2.430361961068893
Energy: 2.4550323922398474
Energy: 2.3133493742242615
Energy: 2.4305623512203205
Energy: 2.3784147019316326
Energy: 2.5506733667115866
Energy: 2.246797780465701
Energy: 2.3011855104767833
Energy: 2.2766744078620453
Energy: 2.2485875865579215
Energy: 2.5034283055295248
Energy: 2.430634116226776
Energy: 2.3237692444052027
Energy: 2.2253208160421307
Energy: 2.3582419663340644
Energy: 2.3539191245647277
Energy: 2.238035752230465
Energy: 2.4445109697843033
Energy: 2.227967895594865
Energy: 2.2494448218005645
Energy: 2.4229064657332335
Energy: 2.428814249805706
Energy: 2.389116412544923
Energy: 2.4397824532153836
Energy: 2.4076686433466064
Energy: 2.120992408718832
Energy: 2.356242700046885
Energy: 2.217625936940886
Energy: 2.361617526836566
Energy: 2.37054597400689
Energy: 2.292897179281999
Energy: 2.401477951715785
Energy: 2.155994867820027
Energy: 2.4479338692122785
Energy: 2.4137170031976796
Energy: 2.4809680183172578
Energy: 2.454283690899372
Energy: 2.366218156499993
Energy: 2.322905227434527
Energy: 2.3670324582871496
Energy: 2.4543899117123003
Energy: 2.2741174255232846
Energy: 2.4174929530525686
Energy: 2.2982689551196853
Energy: 2.2809123749225284
Energy: 2.543570314673406
Energy: 2.2743312646600193
Energy: 2.408037025299299
Energy: 2.2445115950012773
Energy: 2.330052971073936
Energy: 2.1956535059484246
Energy: 2.2436500017183354
Energy: 2.348369747666749
Energy: 2.364437620042704
Energy: 2.499327932912341
Energy: 2.414160954947947
Energy: 2.464817977403151
Energy: 2.4629765508136567
Energy: 2.5008699784742423
Energy: 2.5856804717304
Energy: 2.2751003605624267
Energy: 2.4962695432095807
Energy: 2.2620548980023765
Energy: 2.403232219671276
Energy: 2.4507866743529623
Energy: 2.3058263328936555
Energy: 2.551439129599134
Energy: 2.361581603534139
Energy: 2.5136330146225516
Energy: 2.3790046747645044
Energy: 2.5192059546919325
Energy: 2.4743102176354865
Energy: 2.3426543341477917
Energy: 2.5743708697899486
Energy: 2.3520527888621365
Energy: 2.6194441562147066
Energy: 2.4079159134773036
Energy: 2.662858538555803
Energy: 2.488465154891508
Energy: 2.3416012927031864
Energy: 2.602789982422441
Energy: 2.331923898303652
Energy: 2.4824681595475124
Energy: 2.313228571645141
Energy: 2.4778324134335294
Energy: 2.4565242810920562
Energy: 2.2836272803853013
Energy: 2.4860259062906
Energy: 2.3902214690608674
Energy: 2.5938513507972347
Energy: 2.372475359541559
Energy: 2.4855659031664477
Energy: 2.562543346738164
Energy: 2.4466242439531416
Energy: 2.584723152792228
Energy: 2.319201439867013
Energy: 2.461763172937216
Energy: 2.255539553230433
Energy: 2.3644127418508476
Energy: 2.2976129306870994
Energy: 2.3171409109647705
Energy: 2.495682621533494
Energy: 2.347796248136847
Energy: 2.590245622032677
Energy: 2.271800753028495
Energy: 2.341849705181372
Energy: 2.313046247764927
Energy: 2.2178057772062725
Energy: 2.5297177088236014
Energy: 2.1476951115335705
Energy: 2.494623990192791
Energy: 2.4171524056025406
Energy: 2.5439566153825552
Energy: 2.4822366493575845
Energy: 2.410431175808823
Energy: 2.3321547902148048
Energy: 2.1605208595462573
Energy: 2.336055959540734
Energy: 2.2752680793902456
Energy: 2.399953754600756
Energy: 2.2757547481414617
Energy: 2.24651671782755
Energy: 2.3901149922631038
Energy: 2.3341672853271613
Energy: 2.57845328526921
Energy: 2.367743308600888
Energy: 2.4144207979067933
Energy: 2.4255599155493033
Energy: 2.4268640636228724
Energy: 2.475678013469374
Energy: 2.3838464854138177
Energy: 2.21766799893789
Energy: 2.2187544280695874
Energy: 2.3677236446954146
Energy: 2.3484612964001084
Energy: 2.2529981793148814
Energy: 2.4182842893292316
Energy: 2.2814513852634546
Energy: 2.5164260806363177
Energy: 2.2868495950448904
Energy: 2.372215765887772
Energy: 2.2852766527752544
Energy: 2.2413964046450543
Energy: 2.42826856172922
Energy: 2.1770510339001063
Energy: 2.2875494173542017
Energy: 2.3664927191754686
Energy: 2.507302821403769
Energy: 2.4128982935829075
Energy: 2.3810757459376655
Energy: 2.3620618832732796
Energy: 2.1877928659065993
Energy: 2.260627921483389
Energy: 2.2999941445139354
Energy: 2.4579473229625504
Energy: 2.4665119949359857
Energy: 2.316218441146526
Energy: 2.4108386782890436
Energy: 2.313586371521145
Energy: 2.5201960614134165
Energy: 2.273616985948205
Energy: 2.306659600319347
Energy: 2.252055693229533
Energy: 2.25055156402425
Energy: 2.5237002103302593
Energy: 2.4283834228991594
Energy: 2.4302577451472276
Energy: 2.226950883232292
Energy: 2.387416958442719
Energy: 2.3618425676548918
Energy: 2.3028966985698673
Energy: 2.429706920647185
Energy: 2.256876707517393
Energy: 2.474041838601373
Energy: 2.4230849312939813
Energy: 2.4050556086351658
Energy: 2.400386617911942
Energy: 2.385137813752704
Energy: 2.4000591327099072
Energy: 2.1658221646817006
Energy: 2.372415055072176
Energy: 2.2381845784062087
Energy: 2.351842124564566
Energy: 2.3494120559370106
Energy: 2.3043356752480286
Energy: 2.3263861172029086
Energy: 2.1363046582447356
Energy: 2.313582247797455
Energy: 2.40283349550972
Energy: 2.4795278710144832
Energy: 2.4232522399152314
Energy: 2.3833564683564243
Energy: 2.3470208886538537
Energy: 2.363109849956734
Energy: 2.553294177552371
Energy: 2.282512105830453
Energy: 2.2691733144360184
Energy: 2.2935452512256425
Energy: 2.1885405973435392
Energy: 2.579603607384167
Energy: 2.296627735647704
Energy: 2.469968929698511
Energy: 2.212032923234066
Energy: 2.3607724574924553
Energy: 2.3477010640355815
Energy: 2.2549978849071017
Energy: 2.3552857523689785
Energy: 2.3141889064692105
Energy: 2.4907658648635644
Energy: 2.401226932622566
Energy: 2.464945426133278
Energy: 2.4761563495923125
Energy: 2.4814831678569296
Energy: 2.5327473124077975
Energy: 2.3133948171923326
Energy: 2.502326529321341
Energy: 2.2628126445283625
Energy: 2.419154810994016
Energy: 2.4175715453311413
Energy: 2.294179070535602
Energy: 2.4897008446144224
Energy: 2.3622177885367
Energy: 2.6066904697279103
Energy: 2.406178429467543
Energy: 2.6479383302115425
Energy: 2.4730706932807514
Energy: 2.334677722958801
Energy: 2.572777683624812
Energy: 2.402026611342679
Energy: 2.544565586802562
Energy: 2.396008316895854
Energy: 2.51659086058408
Energy: 2.4507744655787826
Energy: 2.322579344611884
Energy: 2.630158652577023
Energy: 2.3458997804339567
Energy: 2.5290959172978456
Energy: 2.3141293550366644
Energy: 2.421454445659357
Energy: 2.4394494175000365
Energy: 2.2884024430127634
Energy: 2.556181076565833

minimum gb energy = 2.117272420562901 eV
minimum distance =  2.39894348938438 Angstroms
sigma value = 365


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

Energy: 1.9789264673588722
Energy: 2.2684610458392758
Energy: 1.908712469368167
Energy: 1.9421793214644743
Energy: 1.9422799030961764
Energy: 1.9748322033280175
Energy: 1.9694760737833659
Energy: 1.9687992067583489
Energy: 2.4297837658827874
Energy: 1.9206484322072273
Energy: 1.983857247218199
Energy: 1.8913003075367656
Energy: 1.9205584116103966
Energy: 2.667649897189
Energy: 2.000573626271213
Energy: 2.4295658841098953
Energy: 1.9211825166244945
Energy: 1.9167840245235004
Energy: 1.9476300005428948
Energy: 1.920077724959705
Energy: 2.0153556471640637
Energy: 1.9120211916492906
Energy: 2.431673579896314
Energy: 1.9529482761593684
Energy: 1.945963628325732
Energy: 1.94600342410125
Energy: 1.9527964359116263
Energy: 1.9434126329284804
Energy: 2.132903536333581
Energy: 2.381693389442452
Energy: 1.9645055121328734
Energy: 2.458654406208196
Energy: 1.9853246945729601
Energy: 1.9630533325138906
Energy: 2.678331790309826
Energy: 1.9410537878701117
Energy: 2.505418995437376
Energy: 1.9093084523140476
Energy: 1.9424850489847851
Energy: 1.9428910201626988
Energy: 1.9502082708932025
Energy: 1.970412159418707
Energy: 2.003662626543128
Energy: 2.666651289733042
Energy: 1.922262637704037
Energy: 1.891132039668205
Energy: 1.891251247235609
Energy: 1.9213035722278804
Energy: 2.668812216025566
Energy: 2.0007059045815203
Energy: 2.4296414368562083
Energy: 1.9217390312026235
Energy: 1.8907299338115862
Energy: 1.8898923298422343
Energy: 1.9203544156872032
Energy: 2.6658266285200796
Energy: 1.9423495730776454
Energy: 2.4327114511045154
Energy: 1.9513929657027136
Energy: 1.9441241192988175
Energy: 1.9444168329120755
Energy: 1.9506379010960777
Energy: 1.9695531161850013
Energy: 2.132364162470913
Energy: 2.2902233971367165
Energy: 1.9644671592534566
Energy: 2.458449160215777
Energy: 2.4568275727107
Energy: 1.9629143864034848
Energy: 2.621031202134861
Energy: 1.9114335728660419
Energy: 2.43182391763945
Energy: 1.951878782263639
Energy: 1.9446158456084564
Energy: 1.9445909605943872
Energy: 1.9512485130696484
Energy: 1.9191047744440526
Energy: 2.0004440091048643
Energy: 2.4302222321548417
Energy: 1.9211839150757153
Energy: 1.8905469895193108
Energy: 1.8902753917344846
Energy: 1.9203027416897591
Energy: 2.6629707875417803
Energy: 1.995035780553871
Energy: 2.4290881788368757
Energy: 1.9217222105658853
Energy: 1.892065057921456
Energy: 1.8902218883647286
Energy: 1.9219646819460598
Energy: 2.667111417595073
Energy: 1.9408606741155687
Energy: 2.5058138976580757
Energy: 1.908889686121858
Energy: 1.9422618304559631
Energy: 1.9420423021730238
Energy: 1.950128450285473
Energy: 1.970362722893216
Energy: 2.1335231373767667
Energy: 2.3252629204508906
Energy: 1.9648543585529574
Energy: 1.984636542749981
Energy: 1.8918996972303943
Energy: 1.9202588223387578
Energy: 2.6781627268772787
Energy: 2.0020201317558466
Energy: 2.4309152289262372
Energy: 1.9249184121782994
Energy: 1.9165141633219505
Energy: 1.9463442261322563
Energy: 1.9538142511835248
Energy: 1.918474704775947
Energy: 2.002724432330302
Energy: 2.4302356321400524
Energy: 1.9249762024336499
Energy: 1.9163710104506835
Energy: 1.9423489739967468
Energy: 1.9232598939454448
Energy: 1.9439308949481013
Energy: 2.13403077814077
Energy: 2.325692677097927
Energy: 1.9177808431417311
Energy: 1.8907500288711632
Energy: 1.8915931204558836
Energy: 1.917595940474406
Energy: 2.6676621368516713
Energy: 1.9410957991150675
Energy: 2.4708618424778335
Energy: 1.9086720745271373
Energy: 1.9425966760713014
Energy: 1.9735023537428171
Energy: 1.950504642959959
Energy: 1.9698795320375555
Energy: 1.995357569246435
Energy: 2.4294651148351663
Energy: 1.9219831751477219
Energy: 1.9836319404041391
Energy: 1.8915050241925069
Energy: 1.9226771975376695
Energy: 2.5297092732828137

minimum gb energy = 1.8898923298422343 eV
minimum distance =  2.43770046849286 Angstroms
sigma value = 23