Model name: model_name=EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.548374074697496
cohesive_energy=4.048047252937728
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.8186612868971796e-19, 3.6026864227450795e-19, 4.1916305316371397e-19, 4.64570341147908e-19, 4.9507418208263395e-19, 5.13965446774128e-19, 5.285148127874819e-19, 5.428719176047559e-19, 5.579435932007939e-19, 5.72701242176568e-19, 5.854561703598419e-19, 5.953303849551839e-19, 6.0292310002371e-19, 6.09583348291248e-19, 6.15878300286234e-19, 6.21739062413406e-19, 6.270566866616519e-19, 6.318872492131619e-19, 6.363044501930999e-19, 6.4026983736225e-19, 6.43655236589892e-19, 6.462731932098479e-19, 6.47941059085842e-19, 6.485178426740819e-19, 6.478673589606779e-19, 6.457572923336999e-19, 6.42065877368964e-19, 6.369292990803599e-19, 6.30943567175736e-19, 6.25212581355918e-19, 6.20801789082516e-19, 6.16860434562876e-19, 6.07023070030116e-19, 5.724336786786899e-19, 4.67917288136334e-19, 1.95044176893258e-19, -4.497726377562839e-19, -1.87677368730126e-18, -4.9032693271609194e-18, -1.1149242782445539e-17, -2.38402280962566e-17, -4.9473772498949396e-17, -1.0136458866795119e-16, -2.0742099139090796e-16, -4.27872485346138e-16, -8.98309997327754e-16, -1.93937072839164e-15, -4.35726355206006e-15]
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: 0.016203336228406844
Energy: 0.016577619420553757
Energy: 0.8873478974091468
Energy: 0.15592217207791204
Energy: 0.01657761942120475
Energy: 1.3466406350526614
Energy: 0.15592217207726103
Energy: 1.346641106030972
Energy: 0.8873478940059086
Energy: 0.1559221720855431
Energy: 0.016203336228406844
Energy: 0.016577619419938933
Energy: 0.15592217207726103
Energy: 1.3466427640604903
Energy: 0.016577619419938933
Energy: 1.346640631419081

minimum gb energy = 0.016203336228406844 eV
minimum distance =  2.39534587573802 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 1.584044360308359
Energy: 0.9118058016764449
Energy: 0.9440888164547105
Energy: 0.9396414369552656
Energy: 0.951574132243002
Energy: 1.0324537936944127
Energy: 0.9454793405476287
Energy: 1.032453793692044
Energy: 0.9388410955058126
Energy: 0.9414854589522832
Energy: 1.7199520577245313
Energy: 0.941485458949125
Energy: 0.9391675740529212
Energy: 1.0325156605409134
Energy: 0.9600064404261974
Energy: 1.032515660541703
Energy: 0.9787452532039012
Energy: 0.9327231597030777
Energy: 0.9337285445425713
Energy: 0.9327231597054464
Energy: 1.001736312306129
Energy: 0.9622092932765987
Energy: 0.9618073465709878
Energy: 0.9622092932742301
Energy: 1.0301904430686846
Energy: 1.0321991963731807
Energy: 0.9927075825065129
Energy: 1.0321991963755492
Energy: 1.0049449310528074
Energy: 0.9988791048624527
Energy: 0.995617025074008
Energy: 0.9988791048585051
Energy: 0.985293697905217
Energy: 1.325159537443929
Energy: 1.0542949181408663
Energy: 1.3251595374407708
Energy: 0.9920372138168255
Energy: 0.994693958448994
Energy: 0.9976905114963105
Energy: 0.9946939584466256
Energy: 0.9908369847736815
Energy: 1.3241140347653493
Energy: 0.9921483912432562
Energy: 1.3241140347629807
Energy: 0.9993263794516276
Energy: 1.0866075686299879
Energy: 0.9962455400551655
Energy: 1.0866075686370935
Energy: 1.0279395238594127
Energy: 1.0325396549950399
Energy: 1.0010495936366068
Energy: 1.0325396549887238
Energy: 1.0014179606505076
Energy: 1.0330995807821541
Energy: 0.996184694804514
Energy: 1.033099580783733
Energy: 0.9909369682658716
Energy: 0.9339154427136869
Energy: 0.937926405103885
Energy: 0.9339154427176344
Energy: 0.9102225918543126
Energy: 0.9323058639115455
Energy: 0.9616485537109742
Energy: 0.9323058639147034
Energy: 0.9431094574639398
Energy: 0.9398237377663418
Energy: 0.9034415300082006
Energy: 0.9398237377663418
Energy: 0.9469194995341049
Energy: 0.9341843513183923
Energy: 0.9813843976203864
Energy: 0.9341843513176027
Energy: 0.9375973207338288
Energy: 0.9419610936892824
Energy: 0.9402595574062644
Energy: 0.9419610936908616
Energy: 0.9705036960410358
Energy: 0.933606953960965
Energy: 0.9417380916017919
Energy: 0.933606953959386
Energy: 0.9351648635526096
Energy: 0.9349434046023563
Energy: 0.9800864736251909
Energy: 0.9349434046039351
Energy: 0.9628739698706581
Energy: 0.9606341961970383
Energy: 1.0022045015814676
Energy: 0.9606341961978279
Energy: 0.9932390482609166
Energy: 1.0342244029985228
Energy: 0.9897206815100882
Energy: 1.0342244030016807
Energy: 0.996257317134615
Energy: 0.9999635956680742
Energy: 1.0064374997673973
Energy: 0.9999635956728113
Energy: 0.9940426379413733
Energy: 1.3251355536459166
Energy: 0.9865079525905822
Energy: 1.3251355536490745
Energy: 0.9996421855684894
Energy: 1.19169100575305
Energy: 0.9950346144014645
Energy: 1.1916910057506818
Energy: 0.9963144706538324
Energy: 1.3233182650817534
Energy: 0.9901449589041375
Energy: 1.323318265080964
Energy: 0.9954145039503557
Energy: 1.2475797929616796
Energy: 1.000725407988891
Energy: 1.247579792964048
Energy: 0.9996994464669272
Energy: 1.0352879677239601
Energy: 1.0286325216467063
Energy: 1.0352879677136964
Energy: 0.9972445853634352
Energy: 1.0335046691212368
Energy: 1.0010169644645042
Energy: 1.033504669114131
Energy: 0.9371743534484798
Energy: 0.9356603824241301
Energy: 0.9924528696784657
Energy: 0.935660382420972
Energy: 0.9607423482942913
Energy: 0.933203826399948
Energy: 0.90945814195401
Energy: 0.9332038263928425
Energy: 0.8999764375889698
Energy: 0.9614910993680948
Energy: 0.9452175346385547
Energy: 0.9614910993712529

minimum gb energy = 0.8999764375889698 eV
minimum distance =  2.28842344168919 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 1.8145510062947146
Energy: 0.9574005279482118
Energy: 0.9926550618986979
Energy: 0.9942228434824977
Energy: 1.0262831784380508
Energy: 1.0891980602419427
Energy: 1.0019213182377196
Energy: 1.0891980602428426
Energy: 0.9900823725179598
Energy: 0.9966393323862668
Energy: 1.643092767070503
Energy: 0.9966393323844663
Energy: 0.9942427475194674
Energy: 1.0895219019701554
Energy: 1.007716160880334
Energy: 1.0895219019665547
Energy: 0.9988641824002038
Energy: 0.9899627715131843
Energy: 0.9898399927351174
Energy: 0.9899627715096245
Energy: 1.0486583531708138
Energy: 1.0094933866807372
Energy: 1.008247065266607
Energy: 1.0094933866843379
Energy: 1.1172818031957095
Energy: 1.2230464844329347
Energy: 1.038980664510584
Energy: 1.223046484429334
Energy: 1.0507787779844515
Energy: 1.0464577960292925
Energy: 1.0534341203876896
Energy: 1.0464577960292925
Energy: 1.0487055324037442
Energy: 1.4076018141153708
Energy: 1.2108655700709188
Energy: 1.4076018141153708
Energy: 1.0553262086622506
Energy: 1.2643697733124273
Energy: 1.0456212418215065
Energy: 1.2643697733124273
Energy: 1.0537051118281868
Energy: 1.2232539127580568
Energy: 1.117084391047158
Energy: 1.2232539127571564
Energy: 1.0460388342912705
Energy: 1.222012951605237
Energy: 1.0495217942321162
Energy: 1.2220129515944347
Energy: 0.989728835403069
Energy: 0.9897414415233005
Energy: 1.038200073164598
Energy: 0.9897414415215001
Energy: 1.0076389371190433
Energy: 0.9899590505340075
Energy: 0.9533942318383744
Energy: 0.9899590505358079
Energy: 0.9441367045200255
Energy: 0.9943890004903801
Energy: 0.992616213198903
Energy: 0.9943890004921804
Energy: 1.0351208923083035
Energy: 0.9909490185430859
Energy: 1.0011383538267358
Energy: 0.9909490185386259
Energy: 0.9921531717611789
Energy: 0.9950172848479575
Energy: 0.9859495795021234
Energy: 0.9950172848398559
Energy: 0.9948999129156243
Energy: 0.9897719192123307
Energy: 1.0225174884614412
Energy: 0.98977191920963
Energy: 0.9989835914282578
Energy: 0.98932472943527
Energy: 1.0044903764834283
Energy: 0.9893247294271683
Energy: 1.0471300753932258
Energy: 1.008486722758561
Energy: 1.008620155181202
Energy: 1.0084867227540601
Energy: 1.0464063912398733
Energy: 1.2224855892856874
Energy: 1.0387883242700573
Energy: 1.2224855892874877
Energy: 1.0478200100110537
Energy: 1.0471957265712004
Energy: 1.0567778182968803
Energy: 1.0471957265721006
Energy: 1.0474542228180417
Energy: 1.4139318250791513
Energy: 1.0354114509220806
Energy: 1.413931825081852
Energy: 1.0557000389277662
Energy: 1.26571512865726
Energy: 1.0478034913074359
Energy: 1.2657151286554598
Energy: 1.0465088253390513
Energy: 1.2226756673435601
Energy: 1.1187497870576768
Energy: 1.2226756673444603
Energy: 1.0464048898119944
Energy: 1.2233681884156984
Energy: 1.0469293426128927
Energy: 1.2233681884183987
Energy: 0.9926812246639836
Energy: 0.9910716353954562
Energy: 1.0362831823942569
Energy: 0.9910716353891549
Energy: 1.0071840300123605
Energy: 0.9895131195687694
Energy: 0.9536359321981809
Energy: 0.9895131195678694
Energy: 0.9451491784660764
Energy: 1.0072237930980628
Energy: 0.9933854520370284
Energy: 1.0072237930980628

minimum gb energy = 0.9441367045200255 eV
minimum distance =  2.28046901761217 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 1.8329737674799915
Energy: 1.0328336344324918
Energy: 1.062658703646773
Energy: 1.0576308653260258
Energy: 1.0804875189484615
Energy: 1.1808154252082843
Energy: 1.0737041080747973
Energy: 1.1808154252082843
Energy: 1.0678254013771984
Energy: 1.0635594164940656
Energy: 1.0354947791658813
Energy: 1.0635594164982038
Energy: 1.0620963083755917
Energy: 1.1759007765187686
Energy: 1.0747352540288095
Energy: 1.175900776516676
Energy: 1.0390769832680657
Energy: 1.0724239473669526
Energy: 1.074260131139855
Energy: 1.072423947367999
Energy: 1.1092509511880113
Energy: 1.0746393458012045
Energy: 1.0758292437248407
Energy: 1.0746393458012045
Energy: 1.130324269941639
Energy: 1.3354496233241646
Energy: 1.0974777555608488
Energy: 1.3354496233283504
Energy: 1.1135964087171812
Energy: 1.1082412809484445
Energy: 1.1467763186670645
Energy: 1.1082412809463518
Energy: 1.1093561599733717
Energy: 1.3677642798696439
Energy: 1.090731080398982
Energy: 1.3677642798696439
Energy: 1.0560892865394553
Energy: 1.3019636031599513
Energy: 1.1016192801618792
Energy: 1.3019636031640895
Energy: 1.0255078964188447
Energy: 1.1027511332272848
Energy: 1.1042401411541687
Energy: 1.1027511332304238
Energy: 1.03012564126582
Energy: 1.0960147453355928
Energy: 1.1063938675046106
Energy: 1.0960147453282678
Energy: 1.019964326353746
Energy: 1.0153781092686571
Energy: 0.995319847401335
Energy: 1.0153781092676109
Energy: 1.0115920993168703
Energy: 1.0135345229364117
Energy: 1.0921130464518427
Energy: 1.0135345229364117
Energy: 1.0356627637508322
Energy: 1.0866417771501486
Energy: 1.097065778952257
Energy: 1.0866417771491022
Energy: 1.0870918171270447
Energy: 1.091407888085592
Energy: 1.0918845883144996
Energy: 1.0914078880866385
Energy: 1.0652506643893116
Energy: 1.0972944849178976
Energy: 1.0398713166193885
Energy: 1.0972944849210369
Energy: 1.0636830544187292
Energy: 1.0964115535417158
Energy: 1.1252579784863939
Energy: 1.096411553546948
Energy: 1.0987850614431518
Energy: 1.3019899015719347
Energy: 1.1176019731587512
Energy: 1.301989901569842
Energy: 1.1140313163506619
Energy: 1.3131041255996552
Energy: 1.1189553534484142
Energy: 1.313104125598609
Energy: 1.09258869631626
Energy: 1.344507533331775
Energy: 1.2434845499662404
Energy: 1.3445075333328216
Energy: 1.0913747502815847
Energy: 1.3441069220107977
Energy: 1.123206600560198
Energy: 1.3441069220149835
Energy: 1.0860677693944871
Energy: 1.0795534309252302
Energy: 1.0253763257108433
Energy: 1.0795534309168586
Energy: 1.080319113732699
Energy: 1.0811774458239194
Energy: 1.0256185730042064
Energy: 1.0811774458270587
Energy: 1.018444674892301
Energy: 1.067024763700393
Energy: 1.0656797222679892
Energy: 1.0670247637014392

minimum gb energy = 0.995319847401335 eV
minimum distance =  2.27144146236464 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 1.2947039898480703
Energy: 1.1048576525506286
Energy: 1.1396612889346582
Energy: 1.1394023006940257
Energy: 1.1921211725076595
Energy: 1.2661929406317245
Energy: 1.1649135773611314
Energy: 1.2661929406354695
Energy: 1.1393500280656137
Energy: 1.139314675735711
Energy: 1.1273530875622404
Energy: 1.1393146757332147
Energy: 1.1402390489859704
Energy: 1.2810056213977699
Energy: 1.1657954265646648
Energy: 1.2810056214015146
Energy: 1.2092680383886822
Energy: 1.1703707300388155
Energy: 1.169406742320623
Energy: 1.1703707300350703
Energy: 1.151288529589816
Energy: 1.1638488663969275
Energy: 1.1639087819489458
Energy: 1.1638488663994242
Energy: 1.2274569542314528
Energy: 1.3760066049297315
Energy: 1.2259826003382388
Energy: 1.3760066049297315
Energy: 1.1642088609884949
Energy: 1.361064130354935
Energy: 1.2103629090961892
Energy: 1.3610641303536863
Energy: 1.1697027151676123
Energy: 1.1699882030666895
Energy: 1.0986210507386873
Energy: 1.1699882030691862
Energy: 1.1632061862177003
Energy: 1.171037979856252
Energy: 1.0982375524782904
Energy: 1.1710379798575004
Energy: 1.0865497823463426
Energy: 1.1555959891571945
Energy: 1.138885442662217
Energy: 1.1555959891546979
Energy: 1.1622116094715664
Energy: 1.1518412867708685
Energy: 1.165614331786384
Energy: 1.1518412867683718
Energy: 1.1396957796718046
Energy: 1.1412877007852071
Energy: 1.150794785813992
Energy: 1.1412877007877038
Energy: 1.138151727596117
Energy: 1.1512974653392871
Energy: 1.1270609074445734
Energy: 1.1512974653380388
Energy: 1.208428404990563
Energy: 1.170530026949791
Energy: 1.164245718816025
Energy: 1.1705300269485424
Energy: 1.139977087236861
Energy: 1.1699351112423706
Energy: 1.1630904446658703
Energy: 1.1699351112386258
Energy: 1.228165412270783
Energy: 1.3756909849156862
Energy: 1.241410001874545
Energy: 1.375690984918183
Energy: 1.2293308296797527
Energy: 1.3770637187985768
Energy: 1.1635700893406982
Energy: 1.3770637187948318
Energy: 1.1692016396244247
Energy: 1.170510251193407
Energy: 1.0984013019613161
Energy: 1.1705102511946552
Energy: 1.16406283917351
Energy: 1.1695202084821708
Energy: 1.0979802147391045
Energy: 1.1695202084809224
Energy: 1.0864027934156228
Energy: 1.152054225655873
Energy: 1.1575585466240421
Energy: 1.152054225655873

minimum gb energy = 1.0864027934156228 eV
minimum distance =  2.27292913088878 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 1.2434915928917485
Energy: 1.1556031147124635
Energy: 1.2190479605635596
Energy: 1.2200642392175642
Energy: 1.2113409344177186
Energy: 1.2826850739299152
Energy: 1.2270569959880997
Energy: 1.2826850739299152
Energy: 1.2182078578235476
Energy: 1.2215570635944222
Energy: 1.2110403924305064
Energy: 1.2215570635913349
Energy: 1.2230125844087059
Energy: 1.2841741240671116
Energy: 1.2250514243085373
Energy: 1.2841741240671116
Energy: 1.1607024521310176
Energy: 1.435727150832331
Energy: 1.1791741710437464
Energy: 1.4357271508338747
Energy: 1.2169745391792415
Energy: 1.1808074452421338
Energy: 1.17801058658141
Energy: 1.1808074452375021
Energy: 1.1533087490693132
Energy: 1.1815140700244178
Energy: 1.179726680969455
Energy: 1.1815140702265505
Energy: 1.1534208642472876
Energy: 1.2841862331539111
Energy: 1.1799878605657348
Energy: 1.2841862331554548
Energy: 1.217612212845218
Energy: 1.2173812251692222
Energy: 1.2619697651556878
Energy: 1.2173812251692222
Energy: 1.2260651823257367
Energy: 1.163673178958608
Energy: 1.2628111312695096
Energy: 1.1636731789570638
Energy: 1.2116427792221174
Energy: 1.2164962436668434
Energy: 1.2229599358165784
Energy: 1.2164962436683875
Energy: 1.2037752251693077
Energy: 1.1639928980439416
Energy: 1.2168000284042284
Energy: 1.1639928980423977
Energy: 1.1809244232526985
Energy: 1.4361889418314977
Energy: 1.1601021098576552
Energy: 1.436188941829954
Energy: 1.1792070893968252
Energy: 1.1803477674698741
Energy: 1.271691353122479
Energy: 1.180347767465243
Energy: 1.180099630448763
Energy: 1.1806328732440297
Energy: 1.1530281659343569
Energy: 1.1806328742007643
Energy: 1.1811466901872079
Energy: 1.4373260494331648
Energy: 1.1529321649512612
Energy: 1.4373260494331648
Energy: 1.2641592755779432
Energy: 1.2200993152330841
Energy: 1.2195524034770993
Energy: 1.2200993152330841

minimum gb energy = 1.1529321649512612 eV
minimum distance =  2.29045668735301 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 1.8753202534532947
Energy: 1.2432749654442246
Energy: 1.299781928299595
Energy: 1.3029486493817026
Energy: 1.218431764291681
Energy: 1.2143412977226489
Energy: 1.2738746768566684
Energy: 1.2143412977243975
Energy: 1.2213311648606107
Energy: 1.2158609847880772
Energy: 1.7111865030419087
Energy: 1.215860984789826
Energy: 1.216325895736841
Energy: 1.2152809389746175
Energy: 1.2181787574297909
Energy: 1.2152809389719945
Energy: 1.211725498779851
Energy: 1.321811568865577
Energy: 1.1813842627090894
Energy: 1.3218115688673258
Energy: 1.215046387014867
Energy: 1.323146372285876
Energy: 1.2117576619987231
Energy: 1.3231463722876249
Energy: 1.2141463462316704
Energy: 1.2173229097628018
Energy: 1.21419975256751
Energy: 1.2173229097654248
Energy: 1.3128174909637196
Energy: 1.2213995182928508
Energy: 1.2160147008983497
Energy: 1.2213995182893531
Energy: 1.2769782669235823
Energy: 1.2760018675166571
Energy: 1.2626853306156096
Energy: 1.276001867515783
Energy: 1.2787885343972427
Energy: 1.28000874171691
Energy: 1.2629919932158034
Energy: 1.2800087417177841
Energy: 1.2015908770813473
Energy: 1.195533972648074
Energy: 1.1940488303270107
Energy: 1.1955339726471996
Energy: 1.3118927976167116
Energy: 1.1952236919745365
Energy: 1.193503545006345
Energy: 1.1952236919727879
Energy: 1.2510202620340993
Energy: 1.1984110287978476
Energy: 1.193264078629052
Energy: 1.1984110287995964
Energy: 1.2371908156965459
Energy: 1.2003616905236818
Energy: 1.1935518628900201
Energy: 1.200361690521933
Energy: 1.2799080472947095
Energy: 1.2797229043436524
Energy: 1.3160340876926553
Energy: 1.279722904342778
Energy: 1.273559346789937
Energy: 1.2759410126771242
Energy: 1.3277004582156124
Energy: 1.2759410126771242
Energy: 1.278707724506507
Energy: 1.2169651049417054
Energy: 1.2148269806444043
Energy: 1.2169651049390824
Energy: 1.2730855740517253
Energy: 1.220255994028055
Energy: 1.2241004463560197
Energy: 1.220255994028055
Energy: 1.2453770040701062
Energy: 1.4943573965448955
Energy: 1.2113936055563437
Energy: 1.4943573965440213
Energy: 1.1818531543890638
Energy: 1.3507224413537209
Energy: 1.2223263581538717
Energy: 1.3507224413554693
Energy: 1.2131200802228248
Energy: 1.2164195591615075
Energy: 1.309789132698003
Energy: 1.2164195591615075
Energy: 1.2179100530679805
Energy: 1.2191114045027143
Energy: 1.5313962693500764
Energy: 1.2191114044992168
Energy: 1.2625864053659483
Energy: 1.2807788558817985
Energy: 1.2780639439412236
Energy: 1.2807788558835471
Energy: 1.2614899418572583
Energy: 1.2816977562077054
Energy: 1.2937657784694796
Energy: 1.2816977562094538
Energy: 1.1937241850974587
Energy: 1.19643182826517
Energy: 1.287685294833328
Energy: 1.1964318282642956
Energy: 1.193630826428238
Energy: 1.1957291776711154
Energy: 1.2009854491311696
Energy: 1.1957291776719898
Energy: 1.1908427048750525
Energy: 1.1926777237096604
Energy: 1.2392611073648612
Energy: 1.1926777237096604
Energy: 1.1948931329327133
Energy: 1.1949307253477826
Energy: 1.2413132030629879
Energy: 1.1949307253469081
Energy: 1.1924455459840526
Energy: 1.3212892987519116
Energy: 1.2361908463654947
Energy: 1.3212892987527862
Energy: 1.8736993415040395
Energy: 1.2810441209752539
Energy: 1.2940418383424328
Energy: 1.28104412098046

minimum gb energy = 1.1813842627090894 eV
minimum distance =  2.28661608344392 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 1.6990027804537857
Energy: 1.0671286026076787
Energy: 1.2246340683968875
Energy: 1.2224709131224856
Energy: 1.2803420627614122
Energy: 1.1948518135202155
Energy: 1.1952933404246677
Energy: 1.1948518135242412
Energy: 1.194711524061291
Energy: 1.1948624957457834
Energy: 1.3726799624487256
Energy: 1.1948624957477965
Energy: 1.1912330718680908
Energy: 1.2012574067757351
Energy: 1.1980761110089588
Energy: 1.2012574067797606
Energy: 1.1943268237908087
Energy: 1.1995824286386751
Energy: 1.0665260935452998
Energy: 1.199582428640688
Energy: 1.2841003405078013
Energy: 1.2016177230234524
Energy: 1.0646017952033326
Energy: 1.2016177230234524
Energy: 1.279891739590097
Energy: 1.1917082874056717
Energy: 1.1928653423553373
Energy: 1.1917082874036584
Energy: 1.2785309668521745
Energy: 1.1989510789228974
Energy: 1.1989123584517158
Energy: 1.1989510789208846
Energy: 1.19168956957647
Energy: 1.1932542849388563
Energy: 1.1730986527014327
Energy: 1.1932542849348304
Energy: 1.1947920120891344
Energy: 1.19410270365757
Energy: 1.194388989557747
Energy: 1.1941027036615959
Energy: 1.4122877728570167
Energy: 1.2031898373121637
Energy: 1.066025790137817
Energy: 1.2031898373121637
Energy: 1.1909473311526697
Energy: 1.199907013034597
Energy: 1.0661637464384308
Energy: 1.1999070130305711
Energy: 1.2784255397319337
Energy: 1.198988414539867
Energy: 1.1982220148269755
Energy: 1.198988414539867

minimum gb energy = 1.0646017952033326 eV
minimum distance =  2.30426083045779 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 1.5739253281416619
Energy: 1.2003950851128542
Energy: 1.3206526147683328
Energy: 1.31990771103011
Energy: 1.1849751725607172
Energy: 1.2451277915865224
Energy: 1.3289685653974324
Energy: 1.2451277915790724
Energy: 1.109763012650163
Energy: 1.1091364087838245
Energy: 1.4700210989491875
Energy: 1.1091364087830795
Energy: 1.1089149701601608
Energy: 1.1090797027197066
Energy: 1.3380405726599944
Energy: 1.1090797027197066
Energy: 1.1121231945665402
Energy: 1.110811826037109
Energy: 1.301661672617853
Energy: 1.1108118260400888
Energy: 1.1766115915085282
Energy: 1.1102115141537383
Energy: 1.3015203104804511
Energy: 1.1102115141440534
Energy: 1.3094042447522152
Energy: 1.2458693125659486
Energy: 1.274956320089479
Energy: 1.2458693125666938
Energy: 1.3074069386747564
Energy: 1.2447786798674543
Energy: 1.2445505534789252
Energy: 1.2447786798659644
Energy: 1.1491053517857404
Energy: 1.4092658713277226
Energy: 1.2489641731199004
Energy: 1.4092658713232527
Energy: 1.155562659732308
Energy: 1.2574019128951461
Energy: 1.2473334358827033
Energy: 1.2574019128944012
Energy: 1.1481407399871975
Energy: 1.1481848362624099
Energy: 1.3670824189935493
Energy: 1.1481848362624099
Energy: 1.1498215434712515
Energy: 1.1560214413176428
Energy: 1.2895840324710892
Energy: 1.156021441312428
Energy: 1.3176347778357622
Energy: 1.148593983492275
Energy: 1.151785470717692
Energy: 1.1485939834892949
Energy: 1.3179951720621037
Energy: 1.1484766803719477
Energy: 1.1458837083798579
Energy: 1.1484766803705253
Energy: 1.2431827469105567
Energy: 1.151470171476511
Energy: 1.150597252656125
Energy: 1.151470171477256
Energy: 1.1797258268117892
Energy: 1.2541544987674713
Energy: 1.1504952282176948
Energy: 1.2541544987682163
Energy: 1.247944766824203
Energy: 1.2616421143382466
Energy: 1.1486392018357028
Energy: 1.2616421143360117
Energy: 1.3215295587791074
Energy: 1.3170343559564401
Energy: 1.574977544782109
Energy: 1.3170343559624005
Energy: 1.3286479567741902
Energy: 1.2442135051529126
Energy: 1.1500561569213001
Energy: 1.2442135051499328
Energy: 1.4691782498536992
Energy: 1.1097138605119823
Energy: 1.1081304553527103
Energy: 1.1097138605171972
Energy: 1.3404676625491412
Energy: 1.1093062567802825
Energy: 1.1083592020816007
Energy: 1.1093062567802825
Energy: 1.301557995634702
Energy: 1.1150473186409178
Energy: 1.1384723814728739
Energy: 1.1150473186424081
Energy: 1.3013756206210358
Energy: 1.3086493782101156
Energy: 1.1193391990739132
Energy: 1.3086493782026656
Energy: 1.3232534386991877
Energy: 1.2455298537592392
Energy: 1.3063867287414384
Energy: 1.2455298537644541
Energy: 1.2457196001493565
Energy: 1.2448178084748314
Energy: 1.3079546109121378
Energy: 1.2448178084748314
Energy: 1.1383951625813344
Energy: 1.251263808933935
Energy: 1.1487813222418908
Energy: 1.2512638089398949
Energy: 1.246747512481507
Energy: 1.2561966438648375
Energy: 1.1542853445792856
Energy: 1.2561966438640926
Energy: 1.3672726406498719
Energy: 1.1495156067416996
Energy: 1.1487315713147286
Energy: 1.1495156067409542
Energy: 1.5892176732281955
Energy: 1.1537742280492957
Energy: 1.1491369149598363
Energy: 1.153774228048551
Energy: 1.237019653827447
Energy: 1.1481050299026923
Energy: 1.3176167922660103
Energy: 1.148105029905672
Energy: 1.1478533269686921
Energy: 1.1490745581933985
Energy: 1.2209642718796396
Energy: 1.1490745581993582
Energy: 1.1497237041639643
Energy: 1.1500243680231677
Energy: 1.2438542886064354
Energy: 1.1500243680239126
Energy: 1.1507755007484373
Energy: 1.2515686592728594
Energy: 1.1783596911314331
Energy: 1.2515686592840343
Energy: 1.149317927052142
Energy: 1.2490151900533148
Energy: 1.1784861843971173
Energy: 1.2490151900525701
Energy: 1.5755087043304776
Energy: 1.246931023123061
Energy: 1.250136426094115
Energy: 1.2469310231185913

minimum gb energy = 1.1081304553527103 eV
minimum distance =  2.29616641671784 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 1.4768205075583811
Energy: 1.075737802999307
Energy: 1.2618955007645647
Energy: 1.2621769337080904
Energy: 1.1356398779077144
Energy: 1.3086213431480533
Energy: 1.1999645002537516
Energy: 1.3086213431480533
Energy: 1.0801389375945025
Energy: 1.0817607346671392
Energy: 1.305675924121192
Energy: 1.0817607346671392
Energy: 1.0803288323277764
Energy: 1.0813468689210657
Energy: 1.268210698622584
Energy: 1.0813468689210657
Energy: 1.08248683497447
Energy: 1.0819718656689892
Energy: 1.2560655083516388
Energy: 1.0819718656689892
Energy: 1.0943490366591409
Energy: 1.3109516211665642
Energy: 1.2561002237922292
Energy: 1.3109516211665642
Energy: 1.1706995660864774
Energy: 1.1771850530193777
Energy: 1.199586963666855
Energy: 1.1771850530181958
Energy: 1.169192082379052
Energy: 1.1698706950561646
Energy: 1.1665917851618537
Energy: 1.1698706950561646
Energy: 1.17464785388228
Energy: 1.3119639172296937
Energy: 1.331245312483238
Energy: 1.3119639172308755
Energy: 1.1331436919452038
Energy: 1.2461709320642285
Energy: 1.1746905749278815
Energy: 1.2461709320630465
Energy: 1.1672129121853458
Energy: 1.1696505108638966
Energy: 1.173692231205156
Energy: 1.1696505108638966
Energy: 1.2616442781993567
Energy: 1.199895848975268
Energy: 1.2330861761559937
Energy: 1.1998958489764502
Energy: 1.1540541741540817
Energy: 1.085268993638179
Energy: 1.0818131719678294
Energy: 1.085268993638179
Energy: 1.1528350281856425
Energy: 1.0828243823808696
Energy: 1.0821619629515258
Energy: 1.0828243823796877
Energy: 1.2659948230558342
Energy: 1.0810727369702295
Energy: 1.078072508804216
Energy: 1.0810727369702295
Energy: 1.2564886408049825
Energy: 1.081780711828936
Energy: 1.0794527233889608
Energy: 1.0817807118313
Energy: 1.2558325124541327
Energy: 1.3093726294080172
Energy: 1.0835956571140195
Energy: 1.3093726294080172
Energy: 1.2626691446815452
Energy: 1.2633876554157017
Energy: 1.9285293814200992
Energy: 1.2633876554133376
Energy: 1.1685437464685426
Energy: 1.1722704356075335
Energy: 1.1687961217370526
Energy: 1.1722704356087152
Energy: 1.3289335361011974
Energy: 1.248862839561555
Energy: 1.1783090699869643
Energy: 1.2488628395627372
Energy: 1.1707393349946067
Energy: 1.1776384625605054
Energy: 1.0683648214924952
Energy: 1.1776384625605054
Energy: 1.2326016072721888
Energy: 1.1698018153589362
Energy: 1.1708218396032202
Energy: 1.1698018153577545

minimum gb energy = 1.0683648214924952 eV
minimum distance =  2.29205616768157 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 2.013540416035668
Energy: 1.0733656018052822
Energy: 1.2563649437986055
Energy: 1.255230176943253
Energy: 1.098108402816272
Energy: 1.137258206578214
Energy: 1.2506216656808524
Energy: 1.1372582065681847
Energy: 1.054532874274095
Energy: 1.0540121264463251
Energy: 1.2797519865603235
Energy: 1.0540121264521758
Energy: 1.056819874727843
Energy: 1.0556063749283078
Energy: 1.247730208385305
Energy: 1.0556063749166067
Energy: 1.0545389274090242
Energy: 1.0523845517570107
Energy: 1.1966668091545083
Energy: 1.052384551764495
Energy: 1.1723955790085703
Energy: 1.052347043284202
Energy: 1.196117910426082
Energy: 1.0523470432808588
Energy: 1.2380604162833009
Energy: 1.0552576224650065
Energy: 1.071569275642406
Energy: 1.0552576224700214
Energy: 1.2380128424270327
Energy: 1.0570665774712311
Energy: 1.0584352205591963
Energy: 1.0570665774703953
Energy: 1.2493557981977477
Energy: 1.1055494441706146
Energy: 1.1029117315214134
Energy: 1.1055494441773008
Energy: 1.4187959704834654
Energy: 1.3299357839663086
Energy: 1.0525741294032755
Energy: 1.329935783963801
Energy: 1.2469285047205938
Energy: 1.1380145140399418
Energy: 1.1616588812051754
Energy: 1.1380145140432851
Energy: 1.1432034372603934
Energy: 1.1435860548808776
Energy: 1.224148017254492
Energy: 1.1435860548825494
Energy: 1.1438227419035496
Energy: 1.1446988356361678
Energy: 1.1406420008385278
Energy: 1.1446988356278096
Energy: 1.1452140383178966
Energy: 1.173614937709598
Energy: 1.06201137478403
Energy: 1.1736149377187917
Energy: 1.1415423466524715
Energy: 1.1446886706237895
Energy: 1.0657137265760506
Energy: 1.1446886706246253
Energy: 1.2650641305865904
Energy: 1.1445090392767374
Energy: 1.2486103892591291
Energy: 1.144509039270051
Energy: 1.26595367673437
Energy: 1.1359911874806736
Energy: 1.248155683950856
Energy: 1.13599118748736
Energy: 1.0527879755604534
Energy: 1.3298623500312878
Energy: 1.2787788438469796
Energy: 1.3298623500279447
Energy: 1.1038109546576194
Energy: 1.1057682185594055
Energy: 1.250880485149478
Energy: 1.1057682185543907
Energy: 1.0547927117431672
Energy: 1.0572783774930075
Energy: 1.2767684144183737
Energy: 1.05727837750638
Energy: 1.071653968644079
Energy: 1.0554768027301555
Energy: 1.195301481287423
Energy: 1.0554768027326629
Energy: 1.2382219172215283
Energy: 1.0526404879656515
Energy: 1.1720544212845216
Energy: 1.052640487976517
Energy: 1.2382282118132848
Energy: 1.0527508617225183
Energy: 1.0528300700163065
Energy: 1.052750861723354
Energy: 1.2487028695108742
Energy: 1.0567019432845906
Energy: 1.0559498052194043
Energy: 1.056701943273725
Energy: 1.4206077880135237
Energy: 1.0547469111124534
Energy: 1.0538188341489534
Energy: 1.0547469111116177
Energy: 1.2116730037517376
Energy: 1.1376268299263619
Energy: 1.064940241050965
Energy: 1.137626829931377
Energy: 1.2564695913573283
Energy: 1.2554258691559492
Energy: 1.7043115775613333
Energy: 1.2554258691601283
Energy: 1.1354849820873347
Energy: 1.137303154153501
Energy: 1.145256793336707
Energy: 1.1373031541426355
Energy: 1.2882129471796993
Energy: 1.1753286132405143
Energy: 1.1439831223779162
Energy: 1.1753286132438576
Energy: 1.1367326592280527
Energy: 1.1448925114638475
Energy: 1.061800165326437
Energy: 1.1448925114571613
Energy: 1.2661185279580185
Energy: 1.1387352855506234
Energy: 1.140730220470092
Energy: 1.1387352855740256

minimum gb energy = 1.0523470432808588 eV
minimum distance =  2.28756818131802 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 1.03667557114115
Energy: 1.0331394311502125
Energy: 1.0442610881660896
Energy: 1.2649983060191854
Energy: 0.8630639202055075
Energy: 1.0142367974305035
Energy: 0.8991108064220397
Energy: 1.0142367974313768
Energy: 1.046625672945662
Energy: 1.0164940472516275
Energy: 0.939763866172617
Energy: 1.0164940472539241
Energy: 0.8607338567627669
Energy: 0.8997959315118015
Energy: 0.8980242407980172
Energy: 0.8997959315101194
Energy: 1.0468785466053792
Energy: 0.8978081180188204
Energy: 0.8607949379914933
Energy: 0.8977952430336078
Energy: 0.8967946001421626
Energy: 1.0159657309130892
Energy: 0.8611778532680663
Energy: 1.015965730911116
Energy: 0.8713837854326523
Energy: 1.018453067933929
Energy: 1.0470144628355376
Energy: 1.0184530679327968
Energy: 0.8990512728920497
Energy: 0.9005657784247435
Energy: 0.8634613949337482
Energy: 0.9005657784255845
Energy: 0.8633737824627973
Energy: 0.9721870036328558
Energy: 0.9697210415861339
Energy: 0.9721870036340203

minimum gb energy = 0.8607338567627669 eV
minimum distance =  2.24372711741767 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 1.5849884787868984
Energy: 0.9897596431382392
Energy: 1.16475191634583
Energy: 1.1637557237041396
Energy: 1.0749143276310598
Energy: 0.9551781748453549
Energy: 1.154745128189785
Energy: 0.9551781748461445
Energy: 1.1503616059162922
Energy: 1.055435828632455
Energy: 1.150654386067137
Energy: 1.0554358286285075
Energy: 0.951206318147846
Energy: 1.0178112447936227
Energy: 1.1532332420698483
Energy: 1.017811244795202
Energy: 0.9883667495657834
Energy: 0.9564540116698891
Energy: 1.137041980545592
Energy: 0.956454011661994
Energy: 0.9532400928457349
Energy: 0.9548157865304624
Energy: 1.1382795290509533
Energy: 0.954815786529673
Energy: 1.0375231967196616
Energy: 1.036589644462062
Energy: 1.1533315874382621
Energy: 1.0365896444660094
Energy: 0.9556832308311233
Energy: 0.9544250140220834
Energy: 1.3352674331023524
Energy: 0.9544250140235906
Energy: 0.9739873433203264
Energy: 1.0624421627435126
Energy: 1.342868711851683
Energy: 1.062442162744302
Energy: 1.3267641593874446
Energy: 0.9715989359156167
Energy: 0.9731052051799816
Energy: 0.9715989359164063
Energy: 0.9564590106640484
Energy: 0.9718917146254586
Energy: 0.9742028835908425
Energy: 0.9718917146207217
Energy: 1.3326211109990191
Energy: 0.9559310281711
Energy: 0.9564585870327623
Energy: 0.9559310281711
Energy: 1.3232821065785236
Energy: 0.970640981355881
Energy: 0.9705106579764516
Energy: 0.970640981355881
Energy: 0.9541524063597755
Energy: 1.0445199832743148
Energy: 1.1404381452292849
Energy: 1.0445199832766834
Energy: 0.9598870696656833
Energy: 0.9559531896242115
Energy: 1.1459669086887851
Energy: 0.9559531896210536
Energy: 0.9539942385037451
Energy: 0.9536379347235856
Energy: 1.1480797826153943
Energy: 0.9536379347235856
Energy: 1.1642045954052478
Energy: 0.9844054266258471
Energy: 0.9433702545590036
Energy: 0.9844054266297946
Energy: 1.1531276140888103
Energy: 0.9555716857501612
Energy: 0.9663382480531747
Energy: 0.9555716857525298
Energy: 1.3422555834459184
Energy: 1.0557620927312572
Energy: 1.148929801918118
Energy: 1.0557620927328364
Energy: 1.1521491869144682
Energy: 1.018235743363984
Energy: 1.0768009616972651
Energy: 1.0182357433616156
Energy: 1.1371936171826442
Energy: 0.9545492171927547
Energy: 1.1512405704282664
Energy: 0.954549217190386
Energy: 1.1339133893832014
Energy: 0.9573652788853285
Energy: 0.9539338841970904
Energy: 0.9573652788876973
Energy: 1.1484389212345951
Energy: 0.9554290594975835
Energy: 0.9529387900846651
Energy: 0.9554290594967941
Energy: 1.3340150269921491
Energy: 0.9535523940118846
Energy: 0.9560212475074464
Energy: 0.9535523940103058
Energy: 1.3395161713610377
Energy: 1.0460474368766133
Energy: 0.9715770334178959
Energy: 1.0460474368758237
Energy: 0.9758295850733824
Energy: 0.9720665811857281
Energy: 1.3263521905986873
Energy: 0.9720665811873073
Energy: 0.9734846984861862
Energy: 0.9713956673140822
Energy: 0.957520424112671
Energy: 0.9713956673117137
Energy: 0.9721132324069112
Energy: 0.9724840895860759
Energy: 0.9561881520726854
Energy: 0.9724840895868655
Energy: 0.9702737015566059
Energy: 0.9726861105273655
Energy: 1.3254359904265218
Energy: 0.9726861105289446
Energy: 1.1460767562362035
Energy: 1.0443719886313112
Energy: 0.9541731644013894
Energy: 1.0443719886305216
Energy: 1.1406329045929884
Energy: 0.9540422609717816
Energy: 0.9562426129097236
Energy: 0.9540422609717816
Energy: 1.1489253717624937
Energy: 0.9546200095281585
Energy: 0.9563416112500064
Energy: 0.9546200095273691
Energy: 0.9530705451160028
Energy: 0.9830092736877574
Energy: 0.9840090373195305
Energy: 0.9830092736853887

minimum gb energy = 0.9433702545590036 eV
minimum distance =  2.23608765225912 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 1.7480048629996394
Energy: 0.9340497043257038
Energy: 1.1323864854725714
Energy: 1.131817931624796
Energy: 0.9631174162436935
Energy: 0.9344613326894905
Energy: 1.1922130157230995
Energy: 0.9344613326938571
Energy: 1.1922374798131965
Energy: 1.0650185860845347
Energy: 0.9641567601373177
Energy: 1.0650185860845347
Energy: 0.9295500218558319
Energy: 1.114508643199101
Energy: 0.9661382196090468
Energy: 1.1145086432001927
Energy: 0.9619877799027865
Energy: 0.9419234469968795
Energy: 0.9466483565451945
Energy: 0.9419234469979713
Energy: 0.9422114751650466
Energy: 0.9411807954368727
Energy: 0.9450310060357235
Energy: 0.9411807954335979
Energy: 0.9872986930656743
Energy: 0.9870009106731644
Energy: 0.9634530934559996
Energy: 0.9870009106731644
Energy: 0.9345968896763843
Energy: 0.9345365158551439
Energy: 0.9270548615338106
Energy: 0.9345365158595104
Energy: 0.9639651454900962
Energy: 1.0575183523925489
Energy: 0.9275808744619642
Energy: 1.057518352391457
Energy: 1.3913534149645477
Energy: 0.935235920276077
Energy: 0.9369396075491122
Energy: 0.9352359202902681
Energy: 0.9674518891987695
Energy: 0.9861232083495133
Energy: 0.9854831110045966
Energy: 0.9861232083538797
Energy: 0.9185749769536845
Energy: 0.9364264827773321
Energy: 0.9358981122285978
Energy: 0.9364264827696908
Energy: 0.919991952564962
Energy: 0.9445621941149128
Energy: 0.9608571030950951
Energy: 0.9445621941192794
Energy: 0.9632711797393414
Energy: 0.9362054120252049
Energy: 0.9649154801397115
Energy: 0.9362054120317547
Energy: 0.9286719616590228
Energy: 1.0633346077081247
Energy: 0.9619358850863088
Energy: 1.0633346077113996
Energy: 0.9294425240990195
Energy: 0.9346772460777379
Energy: 0.9633503192210158
Energy: 0.9346772460777379
Energy: 1.133129720575515
Energy: 0.9941513675835245
Energy: 1.3440616912451782
Energy: 0.9941513675857078
Energy: 0.9342719440749032
Energy: 0.933462604390514
Energy: 0.9440209395016355
Energy: 0.9334626043883307
Energy: 0.9870221160346191
Energy: 0.9441690902055373
Energy: 0.9277483791288977
Energy: 0.9441690902077207
Energy: 0.9360077576530204
Energy: 0.9374275832374656
Energy: 1.7654125237670621
Energy: 0.9374275832363741
Energy: 0.9449091186537206
Energy: 1.066203189721369
Energy: 0.9344440238328426
Energy: 1.066203189721369
Energy: 0.9446705159960735
Energy: 0.9355771674499318
Energy: 0.9345539047441331
Energy: 0.9355771674510234
Energy: 1.1348550937771438
Energy: 0.9366385072769344
Energy: 0.9350584336876637
Energy: 0.9366385072802093
Energy: 0.9194832786648012
Energy: 0.987412767416556
Energy: 0.9415823921430263
Energy: 0.987412767416556

minimum gb energy = 0.9185749769536845 eV
minimum distance =  2.23753995028542 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 1.910777279984426
Energy: 0.9445310804746252
Energy: 1.140902349604686
Energy: 1.1383489869335786
Energy: 0.9280752904353702
Energy: 0.9239685711270615
Energy: 1.0902180153271743
Energy: 0.9239685711209892
Energy: 1.247024807202669
Energy: 0.9231926105018035
Energy: 1.0923135806938267
Energy: 0.923192610509164
Energy: 1.2442622061084245
Energy: 1.003044103473142
Energy: 1.0941153328332345
Energy: 1.003044103473817
Energy: 1.0943791174574562
Energy: 0.9337842584461498
Energy: 1.0724524191451013
Energy: 0.9337842584474991
Energy: 0.9363381214330344
Energy: 0.9210491550308079
Energy: 0.9323429940129977
Energy: 0.9210491550287836
Energy: 0.9337600742891177
Energy: 0.9322010537611338
Energy: 0.9420734203698036
Energy: 0.9322010537604593
Energy: 0.9338049274797399
Energy: 0.9317680638072973
Energy: 0.9360030976743445
Energy: 0.931768063807972
Energy: 1.0968548719026558
Energy: 0.9335184026792612
Energy: 1.096647442717325
Energy: 0.9335184026785865
Energy: 1.2262657933215741
Energy: 1.0076959296298573
Energy: 1.0927121357527079
Energy: 1.0076959296305321
Energy: 1.0992117736176823
Energy: 0.9735992244522587
Energy: 1.0105256539347203
Energy: 0.9735992244482102
Energy: 0.9022666404358468
Energy: 0.9229357661642233
Energy: 1.0954364768455886
Energy: 0.9229357661689463
Energy: 0.9026487938074137
Energy: 0.9400331612914243
Energy: 0.9430380038320355
Energy: 0.9400331612853519
Energy: 0.9229176125802485
Energy: 0.9227664852144515
Energy: 0.9262137969559071
Energy: 0.9227664852131021
Energy: 1.2363081304829173
Energy: 0.9233322213968919
Energy: 0.9237561401465775
Energy: 0.9233322213935183
Energy: 0.9424337358995848
Energy: 0.9225757458358753
Energy: 0.9241153751262839
Energy: 0.9225757458405982
Energy: 0.9284387844484341
Energy: 0.9241662881649889
Energy: 1.6900727286640604
Energy: 0.9241662881710613
Energy: 0.9857790041053475
Energy: 0.9385834652650572
Energy: 1.0953786218455994
Energy: 0.9385834652623584
Energy: 0.9263744095407369
Energy: 0.9233599879868126
Energy: 1.299374701810419
Energy: 0.9233599879847886
Energy: 1.1439481524096113
Energy: 0.9854256610618158
Energy: 1.8992400675204395
Energy: 0.9854256610658643
Energy: 1.091785481988788
Energy: 0.9236131377227101
Energy: 1.0936643625824172
Energy: 0.9236131377213609
Energy: 1.0930024663173563
Energy: 0.9223620113830351
Energy: 1.2491866287631799
Energy: 0.9223620113837098
Energy: 1.0966822324947094
Energy: 1.0008835835033913
Energy: 1.246711849973302
Energy: 1.000883583504066
Energy: 1.0785272039528304
Energy: 0.932920640305678
Energy: 1.0940593472717624
Energy: 0.932920640305678
Energy: 1.0885441236836686
Energy: 0.9220566637915786
Energy: 0.9214761737904948
Energy: 0.9220566637929282
Energy: 1.0930294467040782
Energy: 0.9327952422973911
Energy: 0.933434129251272
Energy: 0.9327952422994152
Energy: 1.916945608098362
Energy: 0.9318608527433593
Energy: 0.9370922478573918
Energy: 0.9318608527433593
Energy: 0.9229906887758073
Energy: 0.9324430704700517
Energy: 1.1046480787854493
Energy: 0.9324430704680275
Energy: 1.0909290345138825
Energy: 1.0038133162770981
Energy: 1.083767300774994
Energy: 1.0038133162770981
Energy: 1.01358141504903
Energy: 0.9707672146987425
Energy: 1.0981754985938383
Energy: 0.9707672146967182
Energy: 1.0915284727255887
Energy: 0.9242574248283922
Energy: 0.9041228772555792
Energy: 0.9242574248304164
Energy: 0.9394281939608047
Energy: 0.9388716477881741
Energy: 0.9016524738302922
Energy: 0.9388716477895237
Energy: 0.94056500288756
Energy: 0.9820819185580981
Energy: 0.9230984734476773
Energy: 0.9820819185547247
Energy: 0.9244954777650062
Energy: 0.9232948461376026
Energy: 1.2409914534247837
Energy: 0.9232948461369279
Energy: 0.9429780366444414
Energy: 1.0240721945038926
Energy: 0.9420103350011513
Energy: 1.0240721945025433
Energy: 1.6857077757857353
Energy: 0.9237462078703966
Energy: 0.9258908744916962
Energy: 0.9237462078717461
Energy: 1.0964606030466173
Energy: 0.9811085889930212
Energy: 0.9840903678477219
Energy: 0.9811085889896476
Energy: 1.0860730038158073
Energy: 0.9238748545345352
Energy: 0.9244438481389087
Energy: 0.9238748545392582

minimum gb energy = 0.9016524738302922 eV
minimum distance =  2.25468005255199 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 2.1303628101661802
Energy: 0.8497846533990008
Energy: 1.071268297094538
Energy: 1.0684166843715328
Energy: 0.8370494669709216
Energy: 0.981263397164924
Energy: 0.8571065987462766
Energy: 0.9812633971684547
Energy: 0.8392752278445831
Energy: 0.9825194902287074
Energy: 0.853422392836228
Energy: 0.9825194902287074
Energy: 0.837025491012253
Energy: 0.9841230725377108
Energy: 0.8877577042346919
Energy: 0.9841230725394763
Energy: 0.8860790928279377
Energy: 0.8816755369031434
Energy: 0.8612386238563101
Energy: 0.8816755369031434
Energy: 0.8527008234289588
Energy: 0.8527550941417573
Energy: 0.8611570027771565
Energy: 0.852755094139992
Energy: 0.8773933483361754
Energy: 0.885608649693438
Energy: 0.8884609701395997
Energy: 0.885608649693438
Energy: 0.8888840506388752
Energy: 0.8810749032086156
Energy: 0.8401117422910642
Energy: 0.8810749032068501
Energy: 0.9024518950101992
Energy: 0.8516827881959268
Energy: 0.8885652752074409
Energy: 0.8516827881976521
Energy: 0.8991963563340547
Energy: 1.018615797077601
Energy: 0.900975798903891
Energy: 1.018615797077601
Energy: 0.8883233048495737
Energy: 0.9834066368257562
Energy: 0.8975704551799062
Energy: 0.9834066368257562
Energy: 0.8633196497780643
Energy: 0.851835920909257
Energy: 0.900175857978389
Energy: 0.851835920909257
Energy: 0.8619197064168006
Energy: 0.8837983144372886
Energy: 0.8772844187774452
Energy: 0.8837983144390541
Energy: 0.8881473544449701
Energy: 0.8836697580534728
Energy: 0.8505898579813954
Energy: 0.8836697580517074
Energy: 0.8911189597511084
Energy: 0.8825542521510269
Energy: 0.8870362117700764
Energy: 0.8825542521510269

minimum gb energy = 0.837025491012253 eV
minimum distance =  2.26547107097951 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 1.8361717436671336
Energy: 0.8512653645778333
Energy: 1.0836273189944996
Energy: 1.0795304729397994
Energy: 0.9427674415890606
Energy: 0.8502837545675548
Energy: 1.0155837073631329
Energy: 0.850283754563855
Energy: 0.8694591415786644
Energy: 0.8507323438137068
Energy: 1.014724526602253
Energy: 0.8507323438040877
Energy: 1.1615799111515028
Energy: 0.9989911416978281
Energy: 1.0144300734072065
Energy: 0.9989911417037476
Energy: 1.0304208320616854
Energy: 0.8505951811746351
Energy: 1.0124719586632083
Energy: 0.8505951811650159
Energy: 1.0103030196248026
Energy: 0.8493506213014442
Energy: 1.0239553415404041
Energy: 0.8493506213169831
Energy: 1.0122638219823539
Energy: 0.848591949892922
Energy: 1.0183731575110475
Energy: 0.8485919498951418
Energy: 0.8711370228541764
Energy: 1.0275709185229018
Energy: 1.0014560833518902
Energy: 1.027570918523642
Energy: 0.8527295654146072
Energy: 0.8513376745748011
Energy: 1.008321453783024
Energy: 0.8513376745740612
Energy: 0.8685616588394899
Energy: 0.8496756694098996
Energy: 1.020009774201235
Energy: 0.8496756694010204
Energy: 0.8599881917876072
Energy: 0.8536272371661722
Energy: 1.867486901608433
Energy: 0.853627237166912
Energy: 1.0364398175089728
Energy: 0.9318717794239773
Energy: 1.022944541171946
Energy: 0.9318717794298969
Energy: 1.0276595973547602
Energy: 0.9323550316693937
Energy: 1.0321264962573216
Energy: 0.932355031664954
Energy: 1.0249328952711225
Energy: 0.9341835054058631
Energy: 1.1620611449411036
Energy: 0.9341835053992709
Energy: 1.0140968397760635
Energy: 0.8490359931063824
Energy: 1.0281124035798046
Energy: 0.849035993099723
Energy: 1.0143158579117566
Energy: 0.8480522170418197
Energy: 0.8539390362456868
Energy: 0.8480522170410797
Energy: 1.0171403137973474
Energy: 0.8487984504317325
Energy: 0.8552167605157529
Energy: 0.8487984504339523
Energy: 0.8534818122190287
Energy: 0.8629116516423092
Energy: 0.8675378202845445
Energy: 0.8629116516356496
Energy: 1.1592827589731716
Energy: 0.8530191585312006
Energy: 1.0170938740004256
Energy: 0.8530191585223212
Energy: 1.0333150225594463
Energy: 0.8526661864291898
Energy: 1.0289379015789502
Energy: 0.8526661864240102
Energy: 1.345703086992833
Energy: 0.8516573977742344
Energy: 1.0166373175028187
Energy: 0.8516573977720145
Energy: 1.032394497869768
Energy: 0.8481151868461251
Energy: 1.0229506717392758
Energy: 0.8481151868261466
Energy: 1.0134720121532712
Energy: 0.8513262747870557
Energy: 1.0126217479587332
Energy: 0.8513262747892756
Energy: 0.8490101425608935
Energy: 0.8494394720098419
Energy: 1.0151421658547706
Energy: 0.8494394720246408
Energy: 1.0269450538909621
Energy: 0.860231270584983
Energy: 1.0162731765641302
Energy: 0.8602312705946024
Energy: 0.8615693264173617
Energy: 0.8515596627327155
Energy: 1.0047649815977235
Energy: 0.8515596627497344
Energy: 0.8716761782562724
Energy: 0.8621451133801051
Energy: 1.0259606050851746
Energy: 0.8621451133660463
Energy: 0.8525899724174935
Energy: 0.8506460557703832
Energy: 0.8649313638462042
Energy: 0.8506460557777826
Energy: 1.0312289985382945
Energy: 0.8509620283281559
Energy: 1.168265298656439
Energy: 0.8509620283177968
Energy: 1.0160788122302005
Energy: 0.933613890801205
Energy: 1.0276202845678333
Energy: 0.9336138908004651
Energy: 1.0267368256166731
Energy: 1.0982036679070437
Energy: 1.3551959164336345
Energy: 1.0982036675542917
Energy: 1.0161184190420594
Energy: 0.8487968135218273
Energy: 1.0310279579610033
Energy: 0.8487968135210874
Energy: 1.0146727515845684
Energy: 0.8486604989892266
Energy: 0.855698863897006
Energy: 0.8486604989899664
Energy: 1.2049501089436145
Energy: 0.8497881350152411
Energy: 0.857714821567869
Energy: 0.8497881350204207
Energy: 1.161844307724654
Energy: 0.8611902603041026
Energy: 0.8673597314447908
Energy: 0.8611902602989229

minimum gb energy = 0.8480522170410797 eV
minimum distance =  2.27854834292349 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 1.6020288912335088
Energy: 0.8159477740843583
Energy: 1.0632210498424752
Energy: 0.8221016356235232
Energy: 0.9623462100163646
Energy: 0.8182820407100599
Energy: 1.0648810632153283
Energy: 0.8182820407113329
Energy: 1.296262878114297
Energy: 0.8154013187141695
Energy: 1.0642060041050734
Energy: 0.8154013187141695
Energy: 1.2979660407427602
Energy: 0.9559744758002255
Energy: 0.8345631254319579
Energy: 0.9559744758002255
Energy: 0.8351064243095356
Energy: 0.9617785999703382
Energy: 1.0471781201782084
Energy: 0.9617785999703382
Energy: 1.065099681875315
Energy: 0.8182766328645861
Energy: 0.8087419027526692
Energy: 0.818276632863313
Energy: 0.8044544924589028
Energy: 0.8180371139222897
Energy: 0.8339159613203858
Energy: 0.8180371139222897
Energy: 0.8324082881157574
Energy: 0.8216233488051439
Energy: 1.0450434915565792
Energy: 0.8216233488051439
Energy: 0.8152136402482938
Energy: 0.8268371622483733
Energy: 1.048323722962102
Energy: 0.8268371622471002
Energy: 0.8164604706475203
Energy: 0.8176026602232612
Energy: 0.8338878388218426
Energy: 0.8176026602232612
Energy: 1.0632881349227503
Energy: 0.8221016357024233
Energy: 1.6020288912335088
Energy: 0.8159477740830852
Energy: 1.064881063214055
Energy: 0.8182820407113329
Energy: 0.8111800928736308
Energy: 0.8182820407138791
Energy: 1.0642060041063464
Energy: 0.8154013187141695
Energy: 1.2962628781130243
Energy: 0.8154013187141695
Energy: 0.834563125434504
Energy: 0.9559744757989526
Energy: 1.2979660407440332
Energy: 0.9559744757989526
Energy: 1.0471781201769355
Energy: 0.9617785999703382
Energy: 0.8351064243069893
Energy: 0.9617785999703382
Energy: 0.8087419027717648
Energy: 0.8182766328645861
Energy: 1.0650996818778609
Energy: 0.8182766328645861
Energy: 0.8339159613292971
Energy: 0.8180371139210166
Energy: 0.8044544924601758
Energy: 0.8180371139210166
Energy: 1.0450434915527602
Energy: 0.8216233488051439
Energy: 0.8324082881195766
Energy: 0.8216233488051439
Energy: 1.048323722962102
Energy: 0.8268371622483733
Energy: 0.8152136402495668
Energy: 0.8268371622471002
Energy: 0.8338878388867392
Energy: 0.8176026602245343
Energy: 0.8164604706475203
Energy: 0.8176026602245343

minimum gb energy = 0.8044544924589028 eV
minimum distance =  2.30650838420353 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 1.998298799139446
Energy: 0.7275133288992938
Energy: 0.7251052594304532
Energy: 0.7259635153483518
Energy: 1.1929765495251
Energy: 0.736961328814404
Energy: 0.9398899483906213
Energy: 0.7369613288114217
Energy: 1.1424380118994555
Energy: 0.7484781602211297
Energy: 0.9399879962126164
Energy: 0.7484781602231179
Energy: 1.1264562051377467
Energy: 0.7372816587995253
Energy: 0.9383945889352561
Energy: 0.7372816587995253
Energy: 1.1545586531570091
Energy: 0.7356346587122119
Energy: 1.1551416708018194
Energy: 0.7356346587122119
Energy: 1.1450477008797362
Energy: 0.8551899699433354
Energy: 1.1528530607962593
Energy: 0.8551899699433354
Energy: 1.1398712475683048
Energy: 0.8511365971332342
Energy: 1.1539120616120981
Energy: 0.8511365971322401
Energy: 0.9393010488205285
Energy: 0.9487343073554289
Energy: 1.3490724746840028
Energy: 0.9487343073524465
Energy: 0.9420139765753567
Energy: 0.7488995324881947
Energy: 1.1540561164110528
Energy: 0.748899532489189
Energy: 0.9391785047495299
Energy: 0.7367072804376111
Energy: 1.1570650384817622
Energy: 0.7367072804376111
Energy: 0.7250008430194589
Energy: 0.7285458375588776
Energy: 1.4370010487547735
Energy: 0.7285458375618599
Energy: 0.7330531458938675
Energy: 0.7358792020117232
Energy: 1.154528354101618
Energy: 0.7358792020117232
Energy: 0.7260151708138559
Energy: 0.7359812137647743
Energy: 1.1409538445670548
Energy: 0.7359812137627862
Energy: 0.7479257005215386
Energy: 0.9382820043118225
Energy: 1.557605328679566
Energy: 0.9382820043118225
Energy: 0.9372487077163393
Energy: 0.7485506825027393
Energy: 1.1534811939637835
Energy: 0.7485506825037334
Energy: 0.938737627169549
Energy: 0.7364353632598704
Energy: 1.141903545622585
Energy: 0.7364353632588763
Energy: 0.9362568287526133
Energy: 0.7297292609476624
Energy: 1.1431070305301552
Energy: 0.7297292609456744
Energy: 0.9349817328636336
Energy: 0.8423824472433602
Energy: 1.1532007009462277
Energy: 0.8423824472373957
Energy: 1.3639335149284135
Energy: 0.854196264787129
Energy: 1.1399546270553977
Energy: 0.8541962647891171
Energy: 1.157014702922601
Energy: 0.8581165444574934
Energy: 1.1396665694201102
Energy: 0.8581165444614698
Energy: 1.6596282767284776
Energy: 0.727539987405433
Energy: 0.9402028653114839
Energy: 0.7275399874094094
Energy: 1.1540551284591856
Energy: 0.7360542741013492
Energy: 0.7276080941614589
Energy: 0.7360542741033373
Energy: 1.3492798204201555
Energy: 0.7369937963903428
Energy: 0.9371474719919041
Energy: 0.7369937963903428
Energy: 1.3380707104715768
Energy: 0.7259987095952736
Energy: 0.726837188843204
Energy: 0.7259987095962677
Energy: 1.1540280781290888
Energy: 0.7425118346410271
Energy: 0.7381612268339187
Energy: 0.7425118346440093
Energy: 1.5558042281640905
Energy: 0.7249267896584279
Energy: 0.7284143415808482
Energy: 0.724926789659422

minimum gb energy = 0.7249267896584279 eV
minimum distance =  2.30769278736007 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 1.7179263221595131
Energy: 0.6495336181269382
Energy: 0.9389211878345229
Energy: 0.9364831277106772
Energy: 1.2932409871104926
Energy: 0.6575916998206318
Energy: 0.8494624151322752
Energy: 0.657591699816557
Energy: 1.3801235706440949
Energy: 0.6590103013545359
Energy: 0.8505206257642612
Energy: 0.6590103013602407
Energy: 1.3604121469000647
Energy: 0.6571538701495756
Energy: 0.8435430212754073
Energy: 0.6571538701495756
Energy: 1.389767395527707
Energy: 0.6644806404618903
Energy: 1.2072530017875216
Energy: 0.6644806404570003
Energy: 1.3772894329537786
Energy: 0.6641659496871829
Energy: 1.2121099319234094
Energy: 0.6641659496937027
Energy: 1.3730079887355457
Energy: 0.7546483078683616
Energy: 1.205593601485176
Energy: 0.7546483078683616
Energy: 1.2118949890144335
Energy: 0.7523377082878634
Energy: 1.192224131999867
Energy: 0.7523377082903083
Energy: 1.0399249360493825
Energy: 0.6588585579529831
Energy: 1.3862917010263354
Energy: 0.6588585579578731
Energy: 1.0382927067709038
Energy: 0.6639771348820128
Energy: 1.2099652700665966
Energy: 0.6639771348934226
Energy: 0.8448489632171324
Energy: 0.6535373577640115
Energy: 1.9696226315389076
Energy: 0.6535373577460819
Energy: 0.8524178563140067
Energy: 0.6650463414092659
Energy: 1.3914321109453196
Energy: 0.665046341401116
Energy: 0.8474762393529273
Energy: 0.6567029371099786
Energy: 1.3764956554472079
Energy: 0.6567029371067187
Energy: 0.6611447586686419
Energy: 0.6553957520573713
Energy: 1.526715222037468
Energy: 0.6553957520606313
Energy: 0.6592363092747526
Energy: 0.6614374411331114
Energy: 1.3874146761413506
Energy: 0.6614374411347413
Energy: 0.6565295747106086
Energy: 0.6525557681930488
Energy: 1.707981992738697
Energy: 0.6525557681930488
Energy: 0.8501882696931515
Energy: 0.6525576265361874
Energy: 1.3595265614328498
Energy: 0.6525576265378176
Energy: 0.860931819565487
Energy: 0.9026561032899635
Energy: 1.3884605820262583
Energy: 0.9026561032940384
Energy: 0.8479405315361195
Energy: 0.6571012211413274
Energy: 1.3661840322668393
Energy: 0.6571012211437723
Energy: 1.214567778668073
Energy: 0.6563657156282315
Energy: 1.363212835253581
Energy: 0.6563657156282315
Energy: 1.270205765031506
Energy: 0.6654488672739401
Energy: 1.3877096593692015
Energy: 0.6654488672731252
Energy: 1.2123722675852528
Energy: 0.7507560301015215
Energy: 1.3725516578628407
Energy: 0.7507560301055963
Energy: 1.3938575371257065
Energy: 0.7583808998582634
Energy: 1.3773940885507332
Energy: 0.7583808998574484
Energy: 1.190403540370205
Energy: 0.7534763309650683
Energy: 1.2096584469328207
Energy: 0.7534763309976678
Energy: 1.387101486646751
Energy: 0.6640853326172355
Energy: 1.1343762216159623
Energy: 0.6640853326221253
Energy: 1.5414707840281678
Energy: 0.6577571569019077
Energy: 1.2251531267686406
Energy: 0.6577571569035379
Energy: 1.369121021206352
Energy: 0.6554072362566253
Energy: 0.8492494151082187
Energy: 0.6554072362549954
Energy: 1.3863738505211027
Energy: 0.8987628856245525
Energy: 0.8551323407454827
Energy: 0.8987628856196624
Energy: 1.5329555437831088
Energy: 0.6537448486349063
Energy: 0.848960601528844
Energy: 0.6537448486349063
Energy: 1.5294410739511919
Energy: 0.6542096566906367
Energy: 0.6565614206410736
Energy: 0.6542096566914147
Energy: 1.3890338341678719
Energy: 0.6661925153401658
Energy: 0.6569495371690776
Energy: 0.6661925153434257
Energy: 1.705969600960797
Energy: 0.654050027181446
Energy: 0.6511830067885656
Energy: 0.6540500271855209

minimum gb energy = 0.6495336181269382 eV
minimum distance =  2.30861180230915 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 1.892896310135897
Energy: 0.6040262119077016
Energy: 0.8991159545770128
Energy: 0.8923075822609308
Energy: 1.4605902696862978
Energy: 0.6003398550747283
Energy: 0.7783770370394891
Energy: 0.6003398550781803
Energy: 1.242258107110146
Energy: 0.5988574727291844
Energy: 0.7770415898713015
Energy: 0.5988574727360885
Energy: 1.5078084951554818
Energy: 0.601284205699483
Energy: 0.9719966284748136
Energy: 0.601284205699483
Energy: 1.536837364841222
Energy: 0.5973924262534952
Energy: 1.096517905860439
Energy: 0.5973924262500431
Energy: 1.5311260647026894
Energy: 0.5992306091797088
Energy: 1.103677857288927
Energy: 0.599230609185232
Energy: 1.2255869653183635
Energy: 0.9615211150347891
Energy: 1.3946137167835742
Energy: 0.9615211150327178
Energy: 1.3939354804203776
Energy: 0.5994574472352082
Energy: 1.0830219205049747
Energy: 0.5994574472117344
Energy: 1.238425435311034
Energy: 0.681152643665476
Energy: 1.3971762380397286
Energy: 0.6811526436709994
Energy: 1.2384708136517044
Energy: 0.5995157645025172
Energy: 1.2498245427512915
Energy: 0.5995157647916726
Energy: 1.0982585181384925
Energy: 0.6033740143836406
Energy: 1.3719064452886522
Energy: 0.6033740181385195
Energy: 0.9417767471935385
Energy: 0.5966324638595684
Energy: 1.536853890377835
Energy: 0.5966324638574971
Energy: 1.1015286014388888
Energy: 0.5999878669080447
Energy: 1.6724815735494571
Energy: 0.599987866910116
Energy: 0.7799785924811995
Energy: 0.6010311908014846
Energy: 1.3653636624531968
Energy: 0.6010311908001037
Energy: 0.8046497292433269
Energy: 0.5992454953530212
Energy: 1.5370028373822673
Energy: 0.5992454953557829
Energy: 0.7773132550749758
Energy: 0.6033524766762111
Energy: 1.6593588000747457
Energy: 0.6033524766775918
Energy: 0.6134663679754842
Energy: 0.6035624119378811
Energy: 1.6592542567466684
Energy: 0.6035624119392619
Energy: 0.6048477081012499
Energy: 0.602441552448191
Energy: 1.539436132580631
Energy: 0.602441552451643
Energy: 0.6092695504154462
Energy: 0.6031541825055947
Energy: 1.502025285775345
Energy: 0.6031541825062852
Energy: 0.777820674029731
Energy: 0.6036501255311824
Energy: 1.8176512129663025
Energy: 0.6036501255318727
Energy: 0.8092304060758017
Energy: 0.5997082423274533
Energy: 1.533414962027699
Energy: 0.5997082423288342
Energy: 0.7802098497543021
Energy: 0.6004481116237185
Energy: 1.510074605173156
Energy: 0.6004481116264802
Energy: 1.1033645272041883
Energy: 0.599613887545299
Energy: 1.5129276504598734
Energy: 0.5996138875480607
Energy: 1.0990009641858565
Energy: 0.5970196597229687
Energy: 1.5368420330882298
Energy: 0.5970196597208974
Energy: 1.0972167717690597
Energy: 0.60148925922645
Energy: 1.2295572007553839
Energy: 0.6014892591456723
Energy: 1.3918137006781957
Energy: 0.6013370231748818
Energy: 1.3927743589309967
Energy: 0.6013370232694051
Energy: 1.080502390521755
Energy: 0.6829039363510955
Energy: 1.395509935076987
Energy: 0.6829039363524763
Energy: 1.3977333888577856
Energy: 0.6830945648755541
Energy: 1.2377823983226255
Energy: 0.6830945648755541
Energy: 1.375453431751107
Energy: 0.9603648058421229
Energy: 1.2544181858211314
Energy: 0.9603648058359093
Energy: 1.3758572799738258
Energy: 0.6029990626587767
Energy: 1.1006198929567712
Energy: 0.602999062652563
Energy: 1.5396050904716836
Energy: 0.5969760970106919
Energy: 0.9428998848592253
Energy: 0.5969760970120727
Energy: 1.36388616266708
Energy: 0.5991108289604546
Energy: 0.9506235884430718
Energy: 0.5991108289549314
Energy: 1.6729236744042757
Energy: 0.6001483849264755
Energy: 0.7773971957129371
Energy: 0.6001483849264755
Energy: 1.5357641170232397
Energy: 0.6007465937639856
Energy: 0.7768141879158424
Energy: 0.6007465937626049
Energy: 1.5055512661250023
Energy: 0.6093118083697922
Energy: 0.6107188355282044
Energy: 0.6093118083684113
Energy: 1.52568721179936
Energy: 0.6003810810904441
Energy: 0.606818471867343
Energy: 0.6003810810911346
Energy: 1.6665346061820443
Energy: 0.6018463956893405
Energy: 0.605506081176105
Energy: 0.6018463956914119

minimum gb energy = 0.5966324638574971 eV
minimum distance =  2.30157479203617 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 1.6557836121104175
Energy: 0.5522141275167521
Energy: 0.5567462166208078
Energy: 0.5638728354349354
Energy: 1.3852385236720213
Energy: 0.5563168137744186
Energy: 0.7119560328158336
Energy: 0.5563168137738198
Energy: 1.6226200208388233
Energy: 0.5548593247781417
Energy: 0.7119666249347256
Energy: 0.5548593247751479
Energy: 1.3575412512320564
Energy: 0.5530462778023736
Energy: 0.855594613355082
Energy: 0.5530462778029724
Energy: 1.3855574737307672
Energy: 0.5583916950050557
Energy: 1.000244714481305
Energy: 0.5583916950056546
Energy: 1.3699231847243858
Energy: 0.5580399412634252
Energy: 1.0024422607149932
Energy: 0.5580399412640239
Energy: 1.3703203946882399
Energy: 0.5547593389317942
Energy: 1.2604792261641171
Energy: 0.554759338949758
Energy: 1.3865861663321668
Energy: 0.5576173523842598
Energy: 1.0129144821776321
Energy: 0.5576173523794694
Energy: 1.380085829787001
Energy: 0.5569937668228414
Energy: 1.260504938696843
Energy: 0.5569937668168534
Energy: 1.3796400586992519
Energy: 0.6845677929230721
Energy: 1.3885018437586008
Energy: 0.6845677929332514
Energy: 1.2613701521166036
Energy: 0.9181652105841285
Energy: 1.2483913091966883
Energy: 0.9181652105793653
Energy: 1.1267678990462446
Energy: 0.5571392440141145
Energy: 1.3858012190036615
Energy: 0.5571392440129169
Energy: 1.2593573633068382
Energy: 0.5564112965346515
Energy: 1.3768163441032952
Energy: 0.5564112966465711
Energy: 0.9995313436706107
Energy: 0.5526743129364794
Energy: 1.2377493789611347
Energy: 0.5526743129370782
Energy: 0.8994945813747661
Energy: 0.5594030480393508
Energy: 1.3828809607000607
Energy: 0.5594030480345605
Energy: 0.997223962320742
Energy: 0.5529293295294131
Energy: 1.493363472530742
Energy: 0.5529293295300118
Energy: 0.7107980045702765
Energy: 0.5551216091361985
Energy: 1.4935643863482353
Energy: 0.5551216091379949
Energy: 0.7306329650307395
Energy: 0.7328561099269049
Energy: 1.3826762517938442
Energy: 0.7328561106122226
Energy: 0.713667847894753
Energy: 0.5565581411007396
Energy: 1.6208132778759035
Energy: 0.5565581411025088
Energy: 0.5593338733564653
Energy: 0.5611293414485625
Energy: 1.620117967902643
Energy: 0.5611293414491614
Energy: 0.5527123476441227
Energy: 0.5552275862704663
Energy: 1.382489615655479
Energy: 0.5552275862710653
Energy: 0.5590097025957033
Energy: 0.5570728217146096
Energy: 1.6183272908683897
Energy: 0.5570728217152084
Energy: 0.7121701027200733
Energy: 0.5564042816397297
Energy: 1.3690213759709007
Energy: 0.5564042816403285
Energy: 0.7166581572358153
Energy: 0.5551230766755888
Energy: 1.3850351465599773
Energy: 0.5551230766731935
Energy: 0.7142233201724052
Energy: 0.5518627709335907
Energy: 1.3573229847218244
Energy: 0.5518627709317944
Energy: 1.0038591216726616
Energy: 0.5563120941144365
Energy: 1.3809340685911613
Energy: 0.5563120941126402
Energy: 1.0004912960144894
Energy: 0.5589167145408117
Energy: 1.3793354132628615
Energy: 0.5589167145366203
Energy: 1.0012720459786593
Energy: 0.5537086551845418
Energy: 1.3698719732149693
Energy: 0.5537086551833442
Energy: 1.2599122436981642
Energy: 0.5573775099599899
Energy: 1.3869310457015025
Energy: 0.5573775099587924
Energy: 1.2596758733966285
Energy: 0.557952382154563
Energy: 1.3798295709298383
Energy: 0.5579523821497727
Energy: 1.265918609268963
Energy: 0.6842007260127978
Energy: 1.115860976900664
Energy: 0.6842007260127978
Energy: 1.2488581962273555
Energy: 0.6837088231024062
Energy: 1.2629248018417263
Energy: 0.6837088230958195
Energy: 1.387549080615502
Energy: 0.556897682561068
Energy: 1.1267067709626948
Energy: 0.5568976824868449
Energy: 1.3892215041969223
Energy: 0.5571508471559811
Energy: 1.126695916653945
Energy: 0.5571508471745164
Energy: 1.324617467497491
Energy: 0.552690548246918
Energy: 0.999551643931602
Energy: 0.5526905482594926
Energy: 1.384447085533868
Energy: 0.5576992742981529
Energy: 0.9991407771711609
Energy: 0.5576992728527228
Energy: 1.3724242478834752
Energy: 0.5577369884135277
Energy: 1.0022958050557995
Energy: 0.5577369884165216
Energy: 1.49528886440121
Energy: 0.5521857354494085
Energy: 0.7134402984972021
Energy: 0.5521857354512049
Energy: 1.3847673349173872
Energy: 0.5566381069741767
Energy: 0.719267174412388
Energy: 0.5566381069729791
Energy: 1.62026857208582
Energy: 0.5562625462486188
Energy: 0.7129587191834262
Energy: 0.5562625462498164
Energy: 1.4845015465767535
Energy: 0.5567621373829147
Energy: 0.5600743759704981
Energy: 0.556762137382316
Energy: 1.3826529789318465
Energy: 0.5559484623750744
Energy: 0.5526695843327188
Energy: 0.5559484623768708
Energy: 1.618277473635155
Energy: 0.5577805755330401
Energy: 0.5601614585009281
Energy: 0.557780575530645

minimum gb energy = 0.5518627709317944 eV
minimum distance =  2.30003856101991 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.018331982313230157
Energy: 0.019123778590937262
Energy: 1.3889137473591913
Energy: 0.44976219159574765
Energy: 0.01861271089969671
Energy: 0.17475272858226307
Energy: 1.1034508465358768
Energy: 0.17475272858313257
Energy: 0.018951681577958814
Energy: 0.17571295506786588
Energy: 1.1019922286856942
Energy: 0.175712955069656
Energy: 0.020467921564832816
Energy: 0.1746583373427056
Energy: 1.3889839322412492
Energy: 0.1746583373427056
Energy: 1.1030772274943161
Energy: 0.17472243732766624
Energy: 1.1069170716178804
Energy: 0.17472243732679674
Energy: 0.018692490792663396
Energy: 0.17485386674459474
Energy: 1.1027772100714572
Energy: 0.17485386674418557

minimum gb energy = 0.018331982313230157 eV
minimum distance =  2.4805286128655 Angstroms
sigma value = 1