Model name: model_name=MEAM_LAMMPS_LeeBaskesKim_2001_Fe__MO_196726067688_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.863657340407371
cohesive_energy=4.290337440834254
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
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: 0.013216011668303494
Energy: 0.01362111083039023
Energy: 2.7245557211685947
Energy: 0.01362111083039023
Energy: 0.01362111083039023
Energy: 0.013967944133091666
Energy: 0.5588478083894676
Energy: 0.01396794413211991
Energy: 2.7245557211685947
Energy: 0.5588478083894676
Energy: 0.013508964599685465
Energy: 0.5588478083894676
Energy: 0.01362111083039023
Energy: 0.01396794413211991
Energy: 0.5588478083894676
Energy: 0.01396794413211991

minimum gb energy = 0.013216011668303494 eV
minimum distance =  2.47612722900009 Angstroms
sigma value = 1


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

Energy: 1.5685984506758706
Energy: 1.3930554683537133
Energy: 2.3941847945089862
Energy: 1.3930554683488645
Energy: 1.523904237809437
Energy: 1.1176949468456971
Energy: 1.088711319308662
Energy: 1.1176949468408484
Energy: 1.6452697779297307
Energy: 1.0507190576371508
Energy: 0.9593696981718285
Energy: 1.0507190576359386
Energy: 1.3514386464308232
Energy: 1.115872636611852
Energy: 1.1029837305484296
Energy: 1.1158726366142766
Energy: 1.3936180711267352
Energy: 1.1864045872923228
Energy: 1.4272832431600975
Energy: 1.1864045872923228
Energy: 1.5797326819076796
Energy: 1.0711215797461324
Energy: 0.9183581991091537
Energy: 1.0711215797388594
Energy: 1.1931401832470363
Energy: 1.1930028505684642
Energy: 0.918307092621869
Energy: 1.1930028505684642
Energy: 0.9150573715322726
Energy: 1.0854101747385763
Energy: 1.4227913849964677
Energy: 1.085410174737364
Energy: 1.1661630408638937
Energy: 1.1632121495246217
Energy: 1.3338830373540653
Energy: 1.1632121495246217
Energy: 1.5880082827553768
Energy: 1.2216094044020203
Energy: 1.187939524881721
Energy: 1.221609406390364
Energy: 1.0340704112461094
Energy: 1.1610037517715988
Energy: 1.3175290203206131
Energy: 1.1610037517715988
Energy: 0.9322591395406911
Energy: 0.9394530224533988
Energy: 2.0256206797051703
Energy: 0.9394530224546109
Energy: 1.1687643311358569
Energy: 1.1674311206203292
Energy: 1.3522406113542873
Energy: 1.1674311206191168
Energy: 1.0559019722228602
Energy: 1.1857988194461242
Energy: 1.4747523129193711
Energy: 1.1857988194461242
Energy: 1.0092433814013821
Energy: 1.1663670693372004
Energy: 1.5519612031407666
Energy: 1.1663670693384127
Energy: 1.0041901912629205
Energy: 1.136361884998466
Energy: 1.5295642803751341
Energy: 1.136361884998466
Energy: 1.0061819750727097
Energy: 1.1872963145019304
Energy: 1.4764596169491746
Energy: 1.187296314499506
Energy: 1.1650922725113506
Energy: 1.1638550079377155
Energy: 1.3530954082386786
Energy: 1.1638550079365035
Energy: 0.9501022913487026
Energy: 0.9383766640814625
Energy: 2.1432455937853514
Energy: 0.9383766640814625
Energy: 1.0614868024802038
Energy: 1.145571544616552
Energy: 1.1261938550535358
Energy: 1.1455715446189765
Energy: 1.5663284977487724
Energy: 1.184540230046671
Energy: 1.1881713319920906
Energy: 1.1845402300490953
Energy: 1.149043931525706
Energy: 1.126345043087656
Energy: 1.344567181172208
Energy: 1.1263450430416475
Energy: 1.1658098570940072
Energy: 1.1274718415006433
Energy: 1.248112807993964
Energy: 1.1274718414994311
Energy: 1.3704769247182564
Energy: 1.1892151295082574
Energy: 0.9184752119332689
Energy: 1.1892151295082574
Energy: 1.5465792856326532
Energy: 1.0678384119319415
Energy: 1.0052550761777919
Energy: 1.067838411918607
Energy: 1.43945460698163
Energy: 1.1820017918421786
Energy: 1.3547344038924691
Energy: 1.1820017918421786
Energy: 1.3518911071282314
Energy: 1.1059829395687941
Energy: 1.0297175652770452
Energy: 1.1059829395687941
Energy: 1.926686830519194
Energy: 0.9625247942390688
Energy: 0.9516870586206746
Energy: 0.9625247942390688
Energy: 1.523198213442213
Energy: 1.1140208490824464
Energy: 1.0799595956013293
Energy: 1.1140208490909318
Energy: 1.477222774793532
Energy: 1.194154801105159
Energy: 0.9548772554875551
Energy: 1.194154801105159
Energy: 1.5232764244156192
Energy: 1.1371023292376776
Energy: 1.0052186671850392
Energy: 1.1371023292376776
Energy: 1.5681515083846431
Energy: 1.1267033074191035
Energy: 0.9520266500874389
Energy: 1.1267033074191035
Energy: 1.393541673818219
Energy: 1.188719581897663
Energy: 1.099601245647365
Energy: 1.188719581897663

minimum gb energy = 0.9150573715322726 eV
minimum distance =  2.28277342839713 Angstroms
sigma value = 1


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

Energy: 1.6188129385143823
Energy: 1.2762220777512059
Energy: 1.9778228627644876
Energy: 1.2762220772497146
Energy: 1.3875094906344998
Energy: 1.0988678047029845
Energy: 1.1782507797137176
Energy: 1.0988678047002203
Energy: 1.4804792092596248
Energy: 1.0074187913273158
Energy: 1.0288620958634362
Energy: 1.00741879133008
Energy: 0.9420569312720493
Energy: 1.2420873050348187
Energy: 1.1647875680937736
Energy: 1.2420873050348187
Energy: 0.9420806183647359
Energy: 1.1824199512604694
Energy: 1.5194096107380675
Energy: 1.1824199512618512
Energy: 1.4909178540942267
Energy: 0.9717385471249105
Energy: 0.9655296562852508
Energy: 0.9717385471470245
Energy: 1.1311761025413445
Energy: 1.1592347080176448
Energy: 1.0286723176308985
Energy: 1.1592347080176448
Energy: 0.9655142958924239
Energy: 0.9890537216822369
Energy: 1.4998706960807788
Energy: 0.9890537216822369
Energy: 1.040661963119161
Energy: 1.1805815931990233
Energy: 1.4261776572642657
Energy: 1.1805815931990233
Energy: 1.7533018740566082
Energy: 0.969663873472118
Energy: 0.94217679806329
Energy: 0.969663873472118
Energy: 1.0339858490585674
Energy: 1.2401442388118733
Energy: 1.4311855555237207
Energy: 1.2401442388118733
Energy: 1.0425774768561102
Energy: 1.123827264481101
Energy: 1.8991209315947555
Energy: 1.123827264482483
Energy: 1.0454231512834353
Energy: 1.1899398827490224
Energy: 1.499259274260312
Energy: 1.1899398827476406
Energy: 1.0454231512834353
Energy: 1.108789992030917
Energy: 1.4991355059160947
Energy: 1.108789992030917
Energy: 1.0423051449225262
Energy: 1.121734929427012
Energy: 1.899224482562571
Energy: 1.121734929427012
Energy: 1.03393977434136
Energy: 1.2462843765571145
Energy: 1.4262736023450402
Energy: 1.2462843765571145
Energy: 1.7533018743481106
Energy: 0.949850305881386
Energy: 0.9421718926024943
Energy: 0.9498503058827679
Energy: 1.0325788272870582
Energy: 1.1777117908731187
Energy: 1.4272148980454857
Energy: 1.1777117908731187
Energy: 0.9655239059810364
Energy: 0.978247244656219
Energy: 1.4998706960793964
Energy: 0.9782472446865943
Energy: 1.1311069006563133
Energy: 1.165652200059277
Energy: 1.0492433509780792
Energy: 1.1656522000606593
Energy: 1.4876087105485332
Energy: 0.969149105693404
Energy: 0.9654404028230265
Energy: 0.9691491057887077
Energy: 0.9420835630006079
Energy: 1.2418189349474942
Energy: 1.5194096107366855
Energy: 1.241818934946112
Energy: 0.9419263047971792
Energy: 1.2396603695395032
Energy: 1.1647875680923914
Energy: 1.2396603695395032
Energy: 1.4900245030767016
Energy: 1.0007365687754757
Energy: 1.0289187284020511
Energy: 1.0007365687754757
Energy: 1.3880501909658245
Energy: 1.1707785498283758
Energy: 1.1782507797137176
Energy: 1.1707785498297578
Energy: 1.6188129385143823
Energy: 1.276222078352147
Energy: 1.9778228627368453
Energy: 1.2762220783604399
Energy: 1.3875094906331176
Energy: 1.0988678047996703
Energy: 1.1782507797137176
Energy: 1.0988678048051987
Energy: 1.4804792092596248
Energy: 1.0074187913259338
Energy: 1.0288620958634362
Energy: 1.0074187913314623
Energy: 0.9420569312720493
Energy: 1.2420873050348187
Energy: 1.1647875680923914
Energy: 1.2420873050348187

minimum gb energy = 0.9419263047971792 eV
minimum distance =  2.29868385851402 Angstroms
sigma value = 25


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

Energy: 1.4058357486585302
Energy: 1.7460170603323433
Energy: 2.0271229861108746
Energy: 1.7460170603323433
Energy: 1.5198191972671786
Energy: 1.2364610487268384
Energy: 1.2170338418173303
Energy: 1.2364610487268384
Energy: 1.5271733570345751
Energy: 1.074262651001297
Energy: 1.0807845063099837
Energy: 1.0742626510061168
Energy: 1.3068780981443164
Energy: 1.245326669112164
Energy: 1.2428921635250008
Energy: 1.245326669112164
Energy: 1.306413936288965
Energy: 1.2086566605597249
Energy: 1.356430949959657
Energy: 1.2086566605597249
Energy: 1.526808076474509
Energy: 1.0282201184790105
Energy: 1.0185134027529215
Energy: 1.0282201092382248
Energy: 1.1728464258849034
Energy: 1.2820138137958514
Energy: 1.0885555157674915
Energy: 1.2820138137958514
Energy: 1.040421433757123
Energy: 1.0516541508517703
Energy: 1.6066100509491827
Energy: 1.0516541508533768
Energy: 1.2149503490084859
Energy: 1.2748638314592342
Energy: 1.29799424927857
Energy: 1.2748638314592342
Energy: 1.116267568034
Energy: 1.0205672465807618
Energy: 1.3892918540042096
Energy: 1.0205597830763158
Energy: 1.153566645374089
Energy: 1.2776747604404681
Energy: 1.5216587649716848
Energy: 1.2776747604404681
Energy: 1.1519083339296545
Energy: 1.0560819937180894
Energy: 1.5199248408793884
Energy: 1.0560819936490384
Energy: 1.1213288335146958
Energy: 1.0261076411344237
Energy: 1.3886613212169379
Energy: 1.0261076398464453
Energy: 1.206678590678022
Energy: 1.2771199608701904
Energy: 1.2979852535084648
Energy: 1.277119960871797
Energy: 1.0466942337314624
Energy: 1.0489991096505085
Energy: 1.8782111488985174
Energy: 1.0489991096505085
Energy: 1.1822286244764741
Energy: 1.244921903725441
Energy: 1.0187665242150825
Energy: 1.2449219037270478
Energy: 1.8890045149198236
Energy: 1.0523558240036195
Energy: 1.0185962564785855
Energy: 1.0523558239602755
Energy: 1.3215002011874015
Energy: 1.0248039659150385
Energy: 1.4015562746609629
Energy: 1.0248039676912306
Energy: 1.1634576479072964
Energy: 1.2482870969032267
Energy: 1.249033233567187
Energy: 1.2482870969032267
Energy: 1.3823589026786574
Energy: 1.0545721138027142
Energy: 1.0819180575819134
Energy: 1.0545721136902826
Energy: 1.52366984293708
Energy: 1.0383882509266962
Energy: 1.07623237390187
Energy: 1.0383882509716833
Energy: 1.3908036260554661
Energy: 1.2797112961774324
Energy: 1.0937351685546302
Energy: 1.279711296179039
Energy: 1.521276059261564
Energy: 1.1953782596670375
Energy: 1.2257413459113429
Energy: 1.1953782596509706
Energy: 1.7841288485882028
Energy: 1.0665016920114587
Energy: 1.0652676585537804
Energy: 1.0665016920114587
Energy: 1.3067491205059716
Energy: 1.2109081335407212
Energy: 1.1302245434018456
Energy: 1.2109081335407212

minimum gb energy = 1.0185134027529215 eV
minimum distance =  2.28924696171571 Angstroms
sigma value = 9


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

Energy: 1.031352167628714
Energy: 1.0374882105674226
Energy: 2.0271293873982956
Energy: 1.0374882105666605
Energy: 1.0304682995322514
Energy: 1.284774640909194
Energy: 1.0713291070245363
Energy: 1.284774640909194
Energy: 1.2002138380675007
Energy: 1.1295310078977083
Energy: 1.1893689966976
Energy: 1.1295310078500096
Energy: 1.0713247203318739
Energy: 1.0760547208594924
Energy: 1.0712487013472018
Energy: 1.0760547208075684
Energy: 1.1675728255551885
Energy: 1.1379582926799088
Energy: 1.2654102150299993
Energy: 1.137958294322727
Energy: 1.867712021692702
Energy: 1.0774089671090188
Energy: 1.071393149706056
Energy: 1.0774089671166853
Energy: 1.1698047417338904
Energy: 1.2257188135246748
Energy: 1.1782819019249724
Energy: 1.225718813530795
Energy: 1.16383338263883
Energy: 1.167269978131484
Energy: 1.7264864394327912
Energy: 1.1672699781316798
Energy: 1.419227315339386
Energy: 1.229853747498015
Energy: 1.0304110870006098
Energy: 1.2298537474983853
Energy: 1.2647690663492857
Energy: 1.0343858034310158
Energy: 1.0304654929485062
Energy: 1.0343858034304494
Energy: 1.1241557124801531
Energy: 1.080965692730044
Energy: 1.6807771194111532
Energy: 1.080965692730044
Energy: 1.1644378239431208
Energy: 1.0426466515704609
Energy: 1.2598376217962894
Energy: 1.0426466515773651
Energy: 1.4078715714196797
Energy: 1.0735808060350769
Energy: 1.0717790084518493
Energy: 1.0735808060350769
Energy: 1.2095270015854083
Energy: 1.1202511654237242
Energy: 1.2537645611031685
Energy: 1.12025116542392
Energy: 1.0717807513807165
Energy: 1.073724968149438
Energy: 1.407871571584643
Energy: 1.0737249681498302
Energy: 1.1629205043217858
Energy: 1.0449937289783033
Energy: 1.1647973489647407
Energy: 1.0449937289786735
Energy: 1.6854571380924341
Energy: 1.1293476126169921
Energy: 1.0721594018077294
Energy: 1.12934761157019
Energy: 1.0304764772047748
Energy: 1.0359046200574655
Energy: 1.2647690663496776
Energy: 1.0359046200574655
Energy: 1.0304321822802336
Energy: 1.3093556510871867
Energy: 1.419227315332286
Energy: 1.3093556509360318
Energy: 1.7259489050544974
Energy: 1.1655154979971332
Energy: 1.1639323277071498
Energy: 1.1655154979975035
Energy: 1.1963943664836523
Energy: 1.213191021315362
Energy: 1.1731539896891618
Energy: 1.2131910213117247

minimum gb energy = 1.0304110870006098 eV
minimum distance =  2.31422203773416 Angstroms
sigma value = 25


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

Energy: 1.187260190835404
Energy: 1.7698025135530573
Energy: 1.972802204539235
Energy: 1.769802513553273
Energy: 1.5975387078725114
Energy: 1.2734254313330413
Energy: 1.2054880074271062
Energy: 1.2734254313330413
Energy: 1.3544982654632753
Energy: 1.2180588787140412
Energy: 1.215540551546069
Energy: 1.2180588787138258
Energy: 1.1490678408844692
Energy: 1.3394755040881385
Energy: 1.2404218569796814
Energy: 1.3394755040874382
Energy: 1.3610982012325992
Energy: 1.2435425916894391
Energy: 1.6163729905249182
Energy: 1.2435425916858835
Energy: 1.7486902894650522
Energy: 1.1790913457909764
Energy: 1.1839415257941506
Energy: 1.179091345701416
Energy: 1.3265598610187677
Energy: 1.3295513225615847
Energy: 1.26067744466713
Energy: 1.3295513225720088
Energy: 1.358477381487502
Energy: 1.3417522824258297
Energy: 1.6618911566114338
Energy: 1.3417522824272572
Energy: 1.3317140401130951
Energy: 1.2887637889254977
Energy: 1.2204117257137823
Energy: 1.2887637889252552
Energy: 1.4253454281404374
Energy: 1.3244151292058577
Energy: 1.2147773536838284
Energy: 1.3244151292065849
Energy: 1.2335192058935631
Energy: 1.342430959896898
Energy: 1.6001832808775092
Energy: 1.342430959898083
Energy: 1.3037805285024304
Energy: 1.3379803021988885
Energy: 1.188902036228161
Energy: 1.3379803021984304
Energy: 1.481479144875704
Energy: 1.19782810258319
Energy: 1.1875430738277863
Energy: 1.1978281025834057
Energy: 1.6271987373566452
Energy: 1.2988402926904155
Energy: 1.4611878641370286
Energy: 1.298840292552775
Energy: 1.6261026239211385
Energy: 1.3016071614359659
Energy: 1.3816741102035701
Energy: 1.3016071614362081
Energy: 1.6447726426073555
Energy: 1.246752981491179
Energy: 1.2548801305207389
Energy: 1.2467529815001754
Energy: 1.3789806543843584
Energy: 1.2950157242988347
Energy: 1.2650826286764842
Energy: 1.2950157242974074

minimum gb energy = 1.1490678408844692 eV
minimum distance =  2.30316431191752 Angstroms
sigma value = 17


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

Energy: 1.6835418875441481
Energy: 1.5748137342243278
Energy: 2.111299695330441
Energy: 1.5748137342229855
Energy: 1.441900347620428
Energy: 1.2971003261606913
Energy: 1.3195884496911992
Energy: 1.2971003261593488
Energy: 1.5992623954712926
Energy: 1.3299964057450637
Energy: 1.2509628041944112
Energy: 1.3299964057437215
Energy: 1.2524615336657159
Energy: 1.3362942826040498
Energy: 1.3834822712622248
Energy: 1.3362942826040498
Energy: 1.2987629811147658
Energy: 1.2897647809586716
Energy: 1.6094980036633604
Energy: 1.2897647809586716
Energy: 1.5786340022995389
Energy: 1.2585786664022225
Energy: 1.256447131687797
Energy: 1.2585786663834284
Energy: 1.3430075619330064
Energy: 1.3360038344818357
Energy: 1.5363222154058132
Energy: 1.3360038344818357
Energy: 1.3086820587620982
Energy: 1.297340420419277
Energy: 1.6051596711259162
Energy: 1.297340420419277
Energy: 1.3104174363502354
Energy: 1.34144300177398
Energy: 1.224518497927605
Energy: 1.34144300177398
Energy: 1.502729429846834
Energy: 1.3271943625658582
Energy: 1.3780443379386151
Energy: 1.3271943625672007
Energy: 1.258795992746337
Energy: 1.3152946302844732
Energy: 1.5089384426405412
Energy: 1.3152946302844732
Energy: 1.370922157450331
Energy: 1.34394374545707
Energy: 1.3066234699329664
Energy: 1.34394374545707
Energy: 1.5982928302292592
Energy: 1.3659480470526468
Energy: 1.323066598420445
Energy: 1.3659480470526468
Energy: 1.2586165984065665
Energy: 1.3276871533088241
Energy: 1.4028431479829366
Energy: 1.3276871533088241
Energy: 1.3488356485159607
Energy: 1.3497878347452554
Energy: 1.537816420988988
Energy: 1.3497878347452554
Energy: 1.4992041774948806
Energy: 1.3324056288405566
Energy: 1.2300586737164458
Energy: 1.3324056288405566
Energy: 1.3238680527689037
Energy: 1.381647240255223
Energy: 1.3616137384978761
Energy: 1.381647240255223
Energy: 1.349183531077693
Energy: 1.364364079015881
Energy: 1.4512592106600084
Energy: 1.364364079015881
Energy: 1.3445699506826363
Energy: 1.3355467394649705
Energy: 1.396164504673473
Energy: 1.3355467394649705
Energy: 1.6144932885080279
Energy: 1.312930098597498
Energy: 1.5285277131478787
Energy: 1.3129300986270318
Energy: 1.2601454111172599
Energy: 1.37931281875991
Energy: 1.4952699158521054
Energy: 1.37931281875991
Energy: 1.2736049380852184
Energy: 1.3514147310466158
Energy: 1.3281630596938374
Energy: 1.351414731045273
Energy: 1.4811623191579892
Energy: 1.3248112396030878
Energy: 1.315738277809383
Energy: 1.32481123960443
Energy: 1.5209370810393243
Energy: 1.2982197564797564
Energy: 1.4842571535344886
Energy: 1.298219756460962
Energy: 1.5288495239975457
Energy: 1.3591798620905995
Energy: 1.5364954952878003
Energy: 1.3591798620905995
Energy: 1.5273346792730178
Energy: 1.299301865651402
Energy: 1.3299777045070555
Energy: 1.2993018656098168
Energy: 1.2966025906249792
Energy: 1.351528483130418
Energy: 1.2846514652772028
Energy: 1.3515284831317602
Energy: 1.2733423315568098
Energy: 1.3145507583553677
Energy: 1.5200649171367495
Energy: 1.3145507583553677
Energy: 1.4313352721993977
Energy: 1.3137072443394326
Energy: 1.5269840214202097
Energy: 1.3137072443394326
Energy: 1.4253699766323487
Energy: 1.2694264076055177
Energy: 1.25433612831283
Energy: 1.2694264076041752

minimum gb energy = 1.224518497927605 eV
minimum distance =  2.29997319204412 Angstroms
sigma value = 53


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

Energy: 1.2551302668815625
Energy: 1.2769254993901769
Energy: 1.9460221380235416
Energy: 1.276925499391406
Energy: 1.3845286446025693
Energy: 1.2688782235847829
Energy: 1.3764570556319706
Energy: 1.2688782235844667
Energy: 1.7410560310096614
Energy: 1.3360808942915727
Energy: 1.3369128527939724
Energy: 1.336080894292802
Energy: 1.337074116184421
Energy: 1.334390010777401
Energy: 1.7237481472769878
Energy: 1.3343900107768039
Energy: 1.3144679691390213
Energy: 1.270679055745812
Energy: 1.3847983570286388
Energy: 1.2706790557541705
Energy: 1.9460221370958926
Energy: 1.276925499391722
Energy: 1.2551302668809654
Energy: 1.2769254993908092
Energy: 1.3764570556326028
Energy: 1.2688782235597427
Energy: 1.3845286446022884
Energy: 1.2688782235612879
Energy: 1.3369128527942886
Energy: 1.3360808942931182
Energy: 1.7410560310096614
Energy: 1.3360808942918887
Energy: 1.7237481472754423
Energy: 1.3343900107758557
Energy: 1.337074116184421
Energy: 1.3343900107764881
Energy: 1.38479835702892
Energy: 1.2706790558310823
Energy: 1.314467969136528
Energy: 1.270679055835121
Energy: 1.2551302668815625
Energy: 1.276925499391722
Energy: 1.94602213626398
Energy: 1.27692549939109
Energy: 1.3845286446019724
Energy: 1.2688782235659237
Energy: 1.3764570556335158
Energy: 1.2688782235671527
Energy: 1.7410560310090297
Energy: 1.3360808942946631
Energy: 1.3369128527939724
Energy: 1.3360808942968405

minimum gb energy = 1.2551302668809654 eV
minimum distance =  2.31763040856184 Angstroms
sigma value = 9


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

Energy: 1.479879044283477
Energy: 1.4898450024006409
Energy: 2.0125945933804887
Energy: 1.4898450023994971
Energy: 1.6739128856779075
Energy: 1.4160860773184243
Energy: 1.464832522656735
Energy: 1.416086077319568
Energy: 1.4690272071306936
Energy: 1.3279542305997099
Energy: 1.2978216465163033
Energy: 1.3279542306008538
Energy: 1.3056677289401422
Energy: 1.3907339485610228
Energy: 1.5351664838531311
Energy: 1.3907339485610228
Energy: 1.3897740629251942
Energy: 1.3776105853004887
Energy: 1.7026545451093436
Energy: 1.3776105853004887
Energy: 1.6259524706837416
Energy: 1.3998592475517266
Energy: 1.4794447252081018
Energy: 1.3998592475517266
Energy: 1.4747514821376384
Energy: 1.407049630743252
Energy: 1.675764280372848
Energy: 1.4070496307489193
Energy: 1.2885353342220451
Energy: 1.3801863283366453
Energy: 1.4932694397154032
Energy: 1.3801863283377893
Energy: 1.4712192515363156
Energy: 1.4050464973800814
Energy: 1.328135114118639
Energy: 1.405046497381173
Energy: 1.535553650155304
Energy: 1.3759203005483969
Energy: 1.3884678530667534
Energy: 1.3759203005495406
Energy: 1.31778965190478
Energy: 1.413472683781809
Energy: 1.6573575462782295
Energy: 1.413472683782953
Energy: 1.7154874546195666
Energy: 1.3844833699026633
Energy: 1.4669493484572556
Energy: 1.3844833699003756
Energy: 1.4561863385603606
Energy: 1.3613509528353083
Energy: 1.3471275285981419
Energy: 1.3613509528341645
Energy: 1.4180102856741832
Energy: 1.4607862628774342
Energy: 1.6073564228986885
Energy: 1.460786262879722
Energy: 1.3603717298362221
Energy: 1.3724819596428195
Energy: 1.4413551953790003
Energy: 1.3724819596428195
Energy: 1.644510011423026
Energy: 1.358040244122404
Energy: 1.3552127249712722
Energy: 1.358040244122404
Energy: 1.5173017918048244
Energy: 1.3543095596796024
Energy: 1.6749573237012463
Energy: 1.3543095596796024
Energy: 1.3200453788682698
Energy: 1.3921333619715621
Energy: 1.4030420738213225
Energy: 1.3921333619692744
Energy: 1.7422708952091557
Energy: 1.436436869978064
Energy: 1.3928874019804416
Energy: 1.436436869979208
Energy: 1.4200668789489959
Energy: 1.3712952311247386
Energy: 1.3319045613295233
Energy: 1.3712952311247386
Energy: 1.380898382097237
Energy: 1.3814786203562162
Energy: 1.675322214737382
Energy: 1.3814786203550724
Energy: 1.5857562261346376
Energy: 1.356542837641577
Energy: 1.522939193818367
Energy: 1.3565428376404332
Energy: 1.4514407045422142
Energy: 1.38547510173748
Energy: 1.4628687231351816
Energy: 1.38547510173748
Energy: 1.477564802370784
Energy: 1.412546379483378
Energy: 1.6497720297149996
Energy: 1.4125463794868094
Energy: 1.3641330455456853
Energy: 1.3723642762205739
Energy: 1.364440516537368
Energy: 1.3723642762205739
Energy: 1.6640192153537645
Energy: 1.393422236382402
Energy: 1.3926615062175602
Energy: 1.393422236382402
Energy: 1.5814334508672032
Energy: 1.3526985919779224
Energy: 1.602778730308301
Energy: 1.3526985919779224
Energy: 1.4548308168309714
Energy: 1.3549586379045344
Energy: 1.6059274621996238
Energy: 1.3549586379045344
Energy: 1.781662886287002
Energy: 1.4262873553020958
Energy: 1.3922752551106738
Energy: 1.4262873553009519
Energy: 1.4294446627731665
Energy: 1.3733892265829037
Energy: 1.3736240164274485
Energy: 1.3733892265817598
Energy: 1.4696563706799408
Energy: 1.4117147079440793
Energy: 1.7299683625028597
Energy: 1.4117147079440793
Energy: 1.4511164291168743
Energy: 1.3697060407713748
Energy: 1.4726400499263286
Energy: 1.3697060407690873
Energy: 1.676518975755647
Energy: 1.3570909811041656
Energy: 1.4756552551524487
Energy: 1.3570909811041656
Energy: 1.3623123592633988
Energy: 1.3660652056933484
Energy: 1.673533855757877
Energy: 1.3660652057013556
Energy: 1.4119583938329332
Energy: 1.3618345482380811
Energy: 1.3361267045299212
Energy: 1.3618345482380811

minimum gb energy = 1.2885353342220451 eV
minimum distance =  2.27367834371291 Angstroms
sigma value = 73


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

Energy: 1.5497259747242134
Energy: 1.3998588145239703
Energy: 2.1787502412548587
Energy: 1.3998588145239703
Energy: 1.5336932337380351
Energy: 1.3533436032053932
Energy: 1.3935539081860382
Energy: 1.3533436032052075
Energy: 1.317234276302219
Energy: 1.4132725061331737
Energy: 1.2751311042324864
Energy: 1.4132725061331737
Energy: 1.316625328278038
Energy: 1.3686482163502105
Energy: 1.5575828162712777
Energy: 1.3686482163525615
Energy: 1.4709245953307917
Energy: 1.347236412128563
Energy: 1.581282063000267
Energy: 1.347236412128563
Energy: 1.853489249262669
Energy: 1.42004857173232
Energy: 1.2929128726283992
Energy: 1.42004857173232
Energy: 1.3978110977500788
Energy: 1.4211970001156078
Energy: 1.5576246687761368
Energy: 1.421197000114865
Energy: 1.312390929836187
Energy: 1.3632267196950445
Energy: 1.541319798235856
Energy: 1.3632267196950445
Energy: 1.630141199585883
Energy: 1.430100261378742
Energy: 1.4005265997898821
Energy: 1.430100261378742
Energy: 1.4062310314992403
Energy: 1.4263433035488982
Energy: 1.3925789831927533
Energy: 1.4263433035488982
Energy: 1.3101844519796628
Energy: 1.3500752719317528
Energy: 1.7446328630485457
Energy: 1.3500752719315672
Energy: 1.6407657219796146
Energy: 1.3430065648396126
Energy: 1.5505306566073256
Energy: 1.3430065648394272
Energy: 1.465937156987228
Energy: 1.4109898905356826
Energy: 1.2913505540709138
Energy: 1.4109898905353115
Energy: 1.4250802814662946
Energy: 1.5044315292470352
Energy: 1.89411652657102
Energy: 1.504431529247221
Energy: 1.3163886073647637
Energy: 1.3566839651234002
Energy: 1.4200983258936266
Energy: 1.3566839651226785
Energy: 1.500463591458247
Energy: 1.4091739475127159
Energy: 1.3619696772084398
Energy: 1.4091739475139946
Energy: 1.5312975583823758
Energy: 1.3355858321176206
Energy: 1.701762504928853
Energy: 1.3355858321303038
Energy: 1.521805943093875
Energy: 1.3653039845245574
Energy: 1.7019308785061114
Energy: 1.3653039845245574
Energy: 1.7504429736713008
Energy: 1.438838907137715
Energy: 1.4781427906347357
Energy: 1.4388389071379004
Energy: 1.3167514091372818
Energy: 1.356807337854292
Energy: 1.2754457112889772
Energy: 1.3568073378541272
Energy: 1.467715443872604
Energy: 1.4532511307408877
Energy: 1.9189765684919486
Energy: 1.4532511307416096
Energy: 1.4633364760374716
Energy: 1.3601634652428578
Energy: 1.2913009974024703
Energy: 1.3601634652428578

minimum gb energy = 1.2751311042324864 eV
minimum distance =  2.27585499299103 Angstroms
sigma value = 7


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

Energy: 1.9320291814808594
Energy: 1.3597042674828832
Energy: 1.9157725191181498
Energy: 1.3597042671532285
Energy: 1.6691616619201701
Energy: 1.4457038521527668
Energy: 1.4186669804841623
Energy: 1.4457038525478387
Energy: 1.3893792212252485
Energy: 1.418525953884954
Energy: 1.4142757136847066
Energy: 1.418525953884954
Energy: 1.3403113351837206
Energy: 1.3221055750024948
Energy: 1.4314216855562047
Energy: 1.3221055750063444
Energy: 1.4085912842063455
Energy: 1.4333147992203155
Energy: 1.3590603925332356
Energy: 1.4333147992215987
Energy: 1.746154350122789
Energy: 1.3646436379237936
Energy: 1.3592437919507838
Energy: 1.3646436379237936
Energy: 1.387818059199209
Energy: 1.4675347176848315
Energy: 1.695415069765944
Energy: 1.4675347176861147
Energy: 1.3591048000696633
Energy: 1.362403005330552
Energy: 1.4451511193309219
Energy: 1.362403005330552
Energy: 1.7601788572387314
Energy: 1.4393712481630239
Energy: 1.4221905603464022
Energy: 1.439371248164307
Energy: 1.4385555412350706
Energy: 1.348855827903612
Energy: 1.3319846928125607
Energy: 1.348855827904895
Energy: 1.4287202107812917
Energy: 1.3939477666334767
Energy: 1.57245260879183
Energy: 1.39394776663476
Energy: 1.6790413442629442
Energy: 1.3423027800176606
Energy: 1.5785262140998562
Energy: 1.3423027800176606
Energy: 1.7014210373196434
Energy: 1.3835086222038395
Energy: 1.5607131019765568
Energy: 1.3835086222025563
Energy: 1.5362136403248596
Energy: 1.4542847138213761
Energy: 1.7659240834437837
Energy: 1.454284713817526
Energy: 1.3988438265995236
Energy: 1.3362698809056754
Energy: 1.3229409846443063
Energy: 1.3362698809069586
Energy: 1.8185550427198673
Energy: 1.4748047913855276
Energy: 1.411770677663934
Energy: 1.4748047913855276
Energy: 1.36049117089085
Energy: 1.3552660355900286
Energy: 1.439689478669461
Energy: 1.3552660355887451
Energy: 1.381359884293801
Energy: 1.3920424011133032
Energy: 1.710362694699249
Energy: 1.3920424011133032
Energy: 1.748851784767449
Energy: 1.374241033219067
Energy: 1.388266813397533
Energy: 1.374241033219067
Energy: 1.4105086055546006
Energy: 1.4001972902062538
Energy: 1.4044825733007285
Energy: 1.4001972902036872
Energy: 1.3225587319803123
Energy: 1.4499647238136377
Energy: 1.5857686828764717
Energy: 1.4499647238136377
Energy: 1.32113097080843
Energy: 1.4033938583728354
Energy: 1.4291365227555395
Energy: 1.4033938583728354
Energy: 1.687458878210275
Energy: 1.3903838920764287
Energy: 1.4817658606399287
Energy: 1.3903838920764287
Energy: 1.8500504813255885
Energy: 1.3994254437202898
Energy: 1.8994227323762223
Energy: 1.3994254437446723
Energy: 1.6681183313374202
Energy: 1.3570406496180711
Energy: 1.4086793456205091
Energy: 1.3570406496206375
Energy: 1.5943483483938632
Energy: 1.409467765122581
Energy: 1.399094160233154
Energy: 1.4094677651238643
Energy: 1.3232018318736436
Energy: 1.325475411202269
Energy: 1.4826217334373926
Energy: 1.3254754112009857
Energy: 1.4104296600965014
Energy: 1.369175237115657
Energy: 1.7280942724800845
Energy: 1.3691752370322734
Energy: 1.4064591690326274
Energy: 1.3526679570149558
Energy: 1.3761277159905585
Energy: 1.3526679570149558
Energy: 1.6781140555004086
Energy: 1.3714087131589492
Energy: 1.675779055255462
Energy: 1.3714087131589492
Energy: 1.3754823107460519
Energy: 1.3685753628559165
Energy: 1.5939599529933326
Energy: 1.3685753628559165

minimum gb energy = 1.32113097080843 eV
minimum distance =  2.2815747725543 Angstroms
sigma value = 29


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

Energy: 1.1546960515968163
Energy: 1.2795603498157933
Energy: 1.7978434524751017
Energy: 1.2795603498162404
Energy: 1.654501237261157
Energy: 1.2338678245768722
Energy: 1.2740236399865343
Energy: 1.2338678245960932
Energy: 1.8298635548673088
Energy: 1.2026484106993178
Energy: 1.2120812553133322
Energy: 1.2026484106993178
Energy: 1.6835082890277477
Energy: 1.2801327857272833
Energy: 1.2111599674384919
Energy: 1.2801327857277303
Energy: 1.7185729856004897
Energy: 1.2684378654743265
Energy: 1.2986907712638418
Energy: 1.2684378655551587
Energy: 1.552294651605607
Energy: 1.3154154231616726
Energy: 1.2107621348411346
Energy: 1.3154154231612505
Energy: 1.3733701839933878
Energy: 1.2391161279694791
Energy: 1.5535648084183251
Energy: 1.2391161279690321
Energy: 1.153507741124056
Energy: 1.2660554583003278
Energy: 2.0596063748293485
Energy: 1.2660554583204429
Energy: 1.6774612830215452
Energy: 1.33501883372586
Energy: 1.345744655330156
Energy: 1.335018833725413

minimum gb energy = 1.153507741124056 eV
minimum distance =  2.32090325649919 Angstroms
sigma value = 5


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

Energy: 1.5546939647248181
Energy: 1.3043969678773888
Energy: 2.0602753535817233
Energy: 1.3043969678773888
Energy: 1.6428626315340156
Energy: 1.2685969778615793
Energy: 1.3691714777518296
Energy: 1.2696504933243178
Energy: 1.3120269896757495
Energy: 1.3133206735889087
Energy: 1.406100214857337
Energy: 1.3133206735901206
Energy: 1.3121848009756472
Energy: 1.3549327074951794
Energy: 1.4366565213264741
Energy: 1.3549327074976039
Energy: 1.2444298325438246
Energy: 1.301142188023186
Energy: 1.2969653220459105
Energy: 1.3011421880219738
Energy: 1.3877938638554665
Energy: 1.3303145397562417
Energy: 1.3212022464763884
Energy: 1.3303145397550298
Energy: 1.3937310035638526
Energy: 1.2960608672295562
Energy: 1.4289352604901975
Energy: 1.2960608672295562
Energy: 1.3963513238345426
Energy: 1.3028729347292054
Energy: 1.6077285820824445
Energy: 1.3028729347292054
Energy: 1.6010290747867777
Energy: 1.2753060676315806
Energy: 1.3866334302332506
Energy: 1.275306067274146
Energy: 1.5209143896140536
Energy: 1.2753011986808989
Energy: 1.3894556801106666
Energy: 1.2753011986808989
Energy: 1.322181310785002
Energy: 1.3063580988423964
Energy: 1.4229780036757615
Energy: 1.3063580988423964
Energy: 1.315438134172177
Energy: 1.3065329839161417
Energy: 1.2734941570203855
Energy: 1.3065329839137174
Energy: 1.4738377941516383
Energy: 1.5068077472640948
Energy: 1.375531004238673
Energy: 1.506807747262883
Energy: 1.2865643405452547
Energy: 1.2933121194768098
Energy: 1.2722077580635438
Energy: 1.2933121194768098
Energy: 1.3968898797542253
Energy: 1.417340957139413
Energy: 1.517264330721013
Energy: 1.4173409571418374
Energy: 1.6242344682717322
Energy: 1.3114079820802174
Energy: 1.4800328264063514
Energy: 1.3114079820802174
Energy: 1.5830077711241153
Energy: 1.4083178505861609
Energy: 1.5357237112230004
Energy: 1.4083178505861609
Energy: 1.3781031277499378
Energy: 1.298406873963343
Energy: 1.5741000060766734
Energy: 1.298406873963343
Energy: 1.408283209304395
Energy: 1.3424331244328114
Energy: 1.348034602705213
Energy: 1.3424331244328114
Energy: 1.3311484896198202
Energy: 1.3172888736429582
Energy: 1.3422906717465977
Energy: 1.3172888736429582
Energy: 1.3158915407326004
Energy: 1.3516133230227716
Energy: 1.3452018499078664
Energy: 1.3516133230251959
Energy: 1.3628241703672441
Energy: 1.3149741808270412
Energy: 1.2993514837792277
Energy: 1.3149741808270412
Energy: 1.380687823006787
Energy: 1.3055667603960806
Energy: 1.3003940628090032
Energy: 1.305566760398505
Energy: 1.524749727149251
Energy: 1.2713237253556062
Energy: 1.731529506927452
Energy: 1.2713237251350955
Energy: 1.5215198032707056
Energy: 1.2791721571235994
Energy: 1.7279356397200443
Energy: 1.279172157199913
Energy: 1.4146127944183213
Energy: 1.3209509678078213
Energy: 1.3092502604320715
Energy: 1.320950967806609
Energy: 1.3522035306299303
Energy: 1.3043580602903357
Energy: 1.3004528827926847
Energy: 1.3043580602891236
Energy: 1.3677746477696067
Energy: 1.3812620717338158
Energy: 1.494086612750177
Energy: 1.3812620717313915
Energy: 1.3086654051113313
Energy: 1.3043442313018028
Energy: 1.3258480066060159
Energy: 1.3043442313005904
Energy: 1.5225290405313514
Energy: 1.4026153753893282
Energy: 1.4206836862874772
Energy: 1.4026153754802433
Energy: 1.3426716390956437
Energy: 1.2968187039527959
Energy: 1.4264695048014526
Energy: 1.296818703951584
Energy: 1.4165271062832514
Energy: 1.2637122098869873
Energy: 1.6654992005352867
Energy: 1.2637122098881994
Energy: 1.7538493427279516
Energy: 1.2969359596527121
Energy: 1.3851170849961547
Energy: 1.2969359596527121

minimum gb energy = 1.2444298325438246 eV
minimum distance =  2.28007701418116 Angstroms
sigma value = 1


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

Energy: 1.6192790010815046
Energy: 1.2529518126404684
Energy: 1.9672984826830788
Energy: 1.2529518126404684
Energy: 1.5647890570612317
Energy: 1.23489459546753
Energy: 1.4109442054076133
Energy: 1.2348945954892812
Energy: 1.3815273919612998
Energy: 1.2846308371176869
Energy: 1.6883196286616617
Energy: 1.2846308371176869
Energy: 1.3165269684711918
Energy: 1.2962028920133637
Energy: 1.4096339661634165
Energy: 1.2962028920133637
Energy: 1.2816993388621873
Energy: 1.2180262139599254
Energy: 1.2537679261748154
Energy: 1.2180262139599254
Energy: 1.3293097160135032
Energy: 1.3174905498729765
Energy: 1.2774283762754204
Energy: 1.3174905498729765
Energy: 1.4110597970133512
Energy: 1.2879929853460514
Energy: 1.414847773499814
Energy: 1.2879929853460514
Energy: 1.410664309696397
Energy: 1.2779402428918851
Energy: 1.4731205820185906
Energy: 1.2779402428918851
Energy: 1.3912064990787203
Energy: 1.2199455558180647
Energy: 1.2535791729924215
Energy: 1.2199455558180647
Energy: 1.3912064990787203
Energy: 1.2164511507075657
Energy: 1.253830275189353
Energy: 1.2164511507075657
Energy: 1.4636244344629288
Energy: 1.292474763263126
Energy: 1.4731205820202664
Energy: 1.292474763263126
Energy: 1.4105086009665655
Energy: 1.2686828904578764
Energy: 1.414847773499814
Energy: 1.2686828904578764
Energy: 1.2530162102171156
Energy: 1.3038581668066442
Energy: 1.2783884568689992
Energy: 1.3038581668066442
Energy: 1.2817917963795895
Energy: 1.2215074389697405
Energy: 1.2536315359829864
Energy: 1.2215074389697405
Energy: 1.2672881075033975
Energy: 1.3040296068160904
Energy: 1.4675327532377076
Energy: 1.3040296068160904
Energy: 1.3815273919612998
Energy: 1.2847490366188332
Energy: 1.6863298892917091
Energy: 1.2847490366188332
Energy: 1.538813390248752
Energy: 1.315725663546227
Energy: 1.3580489108850278
Energy: 1.3157256635797483
Energy: 1.6192790010798286
Energy: 1.2529518126404684
Energy: 1.967298480868693
Energy: 1.2529518126404684
Energy: 1.5647890570612317
Energy: 1.23489459551107
Energy: 1.4109442054092896
Energy: 1.2348945955177744
Energy: 1.3815273919612998
Energy: 1.2846308371176869
Energy: 1.6883196286616617
Energy: 1.2846308371176869
Energy: 1.3165269684728678
Energy: 1.2962028920150397
Energy: 1.409633966165093
Energy: 1.2962028920150397
Energy: 1.2816993388621873
Energy: 1.2180262139599254
Energy: 1.2537679261748154
Energy: 1.2180262139616014
Energy: 1.3293097160118272
Energy: 1.3174905498729765
Energy: 1.2774283762754204
Energy: 1.3174905498729765
Energy: 1.4110597970133512
Energy: 1.2879929853460514
Energy: 1.4148477734981382
Energy: 1.2879929853460514

minimum gb energy = 1.2164511507075657 eV
minimum distance =  2.26306229592056 Angstroms
sigma value = 17


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

Energy: 1.4754829019024336
Energy: 1.2629366854998358
Energy: 1.963271324379262
Energy: 1.2629366854998358
Energy: 1.5183146786911867
Energy: 1.2942074481577297
Energy: 1.448614716800813
Energy: 1.2942074482239831
Energy: 1.279666075694638
Energy: 1.2394265076416053
Energy: 1.2842911931619214
Energy: 1.2394265076426414
Energy: 1.3783115767953904
Energy: 1.4033320762682004
Energy: 1.436887328735724
Energy: 1.4033320762692367
Energy: 1.344440048986376
Energy: 1.2479563854202145
Energy: 1.2832439602358958
Energy: 1.2479563854202145
Energy: 1.3537132364958022
Energy: 1.3137659993708037
Energy: 1.2972906469978296
Energy: 1.3137659993697677
Energy: 1.275335327800907
Energy: 1.261454494737288
Energy: 1.2515984310536905
Energy: 1.261454494737288
Energy: 1.3059991559731146
Energy: 1.2610239640112297
Energy: 1.3356827395354203
Energy: 1.261023964010194
Energy: 1.4370970800658716
Energy: 1.2466429448968157
Energy: 1.445390602651372
Energy: 1.2466429448947438
Energy: 1.4946042509255066
Energy: 1.2493651615141295
Energy: 1.444820877376743
Energy: 1.2493651615141295
Energy: 1.33438758101275
Energy: 1.2496437143742074
Energy: 1.2897342799888536
Energy: 1.2496437143700638
Energy: 1.3314829052384722
Energy: 1.253746951245999
Energy: 1.3435674889596307
Energy: 1.253746951247035
Energy: 1.3125776616113527
Energy: 1.2612026100512201
Energy: 1.2893879647486663
Energy: 1.2612026100512201
Energy: 1.264356249395224
Energy: 1.2474398624927818
Energy: 1.288513440678727
Energy: 1.2474398624927818
Energy: 1.2638822608701454
Energy: 1.2834281583040608
Energy: 1.3091990320320985
Energy: 1.2834281583040608
Energy: 1.2672595299029266
Energy: 1.2519281325768095
Energy: 1.3387448482081
Energy: 1.2519281325788811
Energy: 1.4399248209250597
Energy: 1.2653657580728426
Energy: 1.3855295743775877
Energy: 1.2653657576441493
Energy: 1.3287021651954167
Energy: 1.2383497607605303
Energy: 1.5078764979169192
Energy: 1.2383497607605303
Energy: 1.4532572154739076
Energy: 1.4002575547418217
Energy: 1.4659635312786101
Energy: 1.4002575547376779
Energy: 1.6252067121865328
Energy: 1.2570354654083737
Energy: 1.5689879770724007
Energy: 1.257035465407338
Energy: 1.3748720482737367
Energy: 1.389267712464497
Energy: 1.5250809215718144
Energy: 1.389267712503863
Energy: 1.4091748883389978
Energy: 1.2374433835108927
Energy: 1.2587221090710792
Energy: 1.2374433835098566
Energy: 1.3732703281231056
Energy: 1.38377153106867
Energy: 1.3814824192100739
Energy: 1.3837715310676342
Energy: 1.26138166014928
Energy: 1.260096502492141
Energy: 1.2714746233607332
Energy: 1.260096502492141
Energy: 1.2990283556587034
Energy: 1.2961765294393124
Energy: 1.3422472504780714
Energy: 1.2961765294393124
Energy: 1.2811168856203055
Energy: 1.2461052278583078
Energy: 1.2726136404102468
Energy: 1.246105227857272
Energy: 1.35287498303205
Energy: 1.261346608479108
Energy: 1.3353820531429308
Energy: 1.2613466084801441
Energy: 1.4378028125481537
Energy: 1.2526057517425622
Energy: 1.552367588366077
Energy: 1.2526057517435982
Energy: 1.4387599593658096
Energy: 1.239842226549095
Energy: 1.5854542568170145
Energy: 1.2398422269208582
Energy: 1.2796216916979888
Energy: 1.2517504862437072
Energy: 1.272297326114507
Energy: 1.2517504862416353
Energy: 1.2828560622521317
Energy: 1.251799230321684
Energy: 1.335497706115299
Energy: 1.2517992303206482
Energy: 1.2612470825053101
Energy: 1.2809186802895407
Energy: 1.292910058651121
Energy: 1.2809186802885049
Energy: 1.2768192742354119
Energy: 1.2608266275534634
Energy: 1.2411088205400154
Energy: 1.2608266275534634
Energy: 1.3750137627912116
Energy: 1.2743076280987147
Energy: 1.325361566278336
Energy: 1.2743076280966426
Energy: 1.3533455412232394
Energy: 1.2381681645442677
Energy: 1.3082616848257775
Energy: 1.2381681645473754
Energy: 1.3916164471700343
Energy: 1.2482023330658094
Energy: 1.436416383761946
Energy: 1.2482023335700796
Energy: 1.6838098613523547
Energy: 1.2564105233967608
Energy: 1.3309141607028445
Energy: 1.2564105233957248
Energy: 1.4307159397857936
Energy: 1.2391370717487042
Energy: 1.510695128704331
Energy: 1.2391370718895458

minimum gb energy = 1.2374433835098566 eV
minimum distance =  2.282241135971 Angstroms
sigma value = 89


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

Energy: 1.3695052939710366
Energy: 1.155950328566006
Energy: 1.6364194794893394
Energy: 1.155950328566006
Energy: 1.3322576316963077
Energy: 1.195100232155117
Energy: 1.4021226632521913
Energy: 1.1951002321524062
Energy: 1.3724402356133492
Energy: 1.1475853259296729
Energy: 1.2816135909645376
Energy: 1.14758532592995
Energy: 1.2377885927844883
Energy: 1.2165649901040338
Energy: 1.404771125096862
Energy: 1.2165649901035103
Energy: 1.343348227171916
Energy: 1.207973653160719
Energy: 1.2167206988500827
Energy: 1.207973653160442
Energy: 1.23017037583876
Energy: 1.3775430844050218
Energy: 1.3126746498367603
Energy: 1.3775430844055454
Energy: 1.227469845787326
Energy: 1.1600927752699892
Energy: 1.216424395238872
Energy: 1.1600927752699892
Energy: 1.2625216022691674
Energy: 1.2259014453575605
Energy: 1.3866740602245948
Energy: 1.2259014453572832
Energy: 1.373689682331622
Energy: 1.2125132961849676
Energy: 1.1708833591884995
Energy: 1.2125132961846903
Energy: 1.3568919045246486
Energy: 1.2022060334625793
Energy: 1.2566292942577466
Energy: 1.202206033462302
Energy: 1.3137928718044125
Energy: 1.1551644589178285
Energy: 1.3866020750619505
Energy: 1.1551644589181056
Energy: 1.3137100460989
Energy: 1.1551828982713082
Energy: 1.386596847778453
Energy: 1.1551828994685782
Energy: 1.373103872701718
Energy: 1.2123250999525428
Energy: 1.1706500346777866
Energy: 1.2123250999522963
Energy: 1.3721090458701497
Energy: 1.2087885997038974
Energy: 1.1689237929748038
Energy: 1.208788599704452
Energy: 1.2264043764441923
Energy: 1.2139349166136497
Energy: 1.2929981583883279
Energy: 1.2139349166136497

minimum gb energy = 1.1475853259296729 eV
minimum distance =  2.28698476073304 Angstroms
sigma value = 13


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

Energy: 1.2408275782945049
Energy: 1.1213881875111
Energy: 1.5569561428624241
Energy: 1.1213881875111
Energy: 1.326781892506503
Energy: 1.2192730607496005
Energy: 1.2624501905361656
Energy: 1.2192730609414977
Energy: 1.261332100654196
Energy: 1.1038766363415282
Energy: 1.465618741297527
Energy: 1.103876636340392
Energy: 1.2177500977972548
Energy: 1.1721282472168677
Energy: 1.26233145296274
Energy: 1.1721282473156567
Energy: 1.1535877771806755
Energy: 1.1278861719048494
Energy: 1.1835808481288943
Energy: 1.1278861719048494
Energy: 1.2836101928403916
Energy: 1.1356160421044539
Energy: 1.2764910820438282
Energy: 1.1356160421044539
Energy: 1.172708192137601
Energy: 1.1068095956712054
Energy: 1.2643707603935075
Energy: 1.1068095956712054
Energy: 1.2388637296213625
Energy: 1.188744954096286
Energy: 1.17768603860314
Energy: 1.1887449541496828
Energy: 1.1807229334042635
Energy: 1.1305803193245239
Energy: 1.1492931791480183
Energy: 1.1305803193245239
Energy: 1.3484438285751645
Energy: 1.132522600053729
Energy: 1.2467415838712694
Energy: 1.1325226000525932
Energy: 1.2111294495306737
Energy: 1.1065405744148418
Energy: 1.2554670712882245
Energy: 1.1065405744148418
Energy: 1.214404231968804
Energy: 1.1029668453713886
Energy: 1.1712749028392933
Energy: 1.1029668453736607
Energy: 1.256996764794103
Energy: 1.1176420940932286
Energy: 1.2190323067141569
Energy: 1.1176420940932286
Energy: 1.2518141200462014
Energy: 1.141102961773068
Energy: 1.3507896839454878
Energy: 1.141102961774204
Energy: 1.2135766813777338
Energy: 1.106824048431289
Energy: 1.2542535480737418
Energy: 1.106824048431289
Energy: 1.2160723833561715
Energy: 1.1038052121429653
Energy: 1.261348093363588
Energy: 1.1038052121452375
Energy: 1.2588041879845342
Energy: 1.1346058869343574
Energy: 1.1489026130020574
Energy: 1.1346058869343574
Energy: 1.1869322519020193
Energy: 1.1346975042185474
Energy: 1.2417771510955828
Energy: 1.1346975042185474
Energy: 1.1723777900603374
Energy: 1.1131866775464354
Energy: 1.1825843771460958
Energy: 1.1131866775475716
Energy: 1.1826803812904718
Energy: 1.1085303163653704
Energy: 1.1723312759533338
Energy: 1.1085303163642344
Energy: 1.2419360746121981
Energy: 1.134442042225008
Energy: 1.1839632445829396
Energy: 1.134442042223872
Energy: 1.1500845438293743
Energy: 1.1325032259067418
Energy: 1.258804187982262
Energy: 1.1325032259056058
Energy: 1.2613480933658603
Energy: 1.1025264609876209
Energy: 1.2139473807886745
Energy: 1.1025264609864847
Energy: 1.2542535480714696
Energy: 1.1062766104317145
Energy: 1.2109772645000412
Energy: 1.1062766104317145
Energy: 1.3527356469051581
Energy: 1.128621785045891
Energy: 1.251732883748558
Energy: 1.128621785045891
Energy: 1.218887854994721
Energy: 1.117702551773307
Energy: 1.256996764795239
Energy: 1.117702551773307
Energy: 1.2044426491177296
Energy: 1.1032324050399163
Energy: 1.2160483102137791
Energy: 1.10323240503878
Energy: 1.2554670712893607
Energy: 1.1058650570424413
Energy: 1.2106128660225304
Energy: 1.1058650570424413
Energy: 1.2410853647111362
Energy: 1.1345232119870086
Energy: 1.3486801317236476
Energy: 1.1345232119870086
Energy: 1.1493600108415647
Energy: 1.1307099676838022
Energy: 1.1807836893812027
Energy: 1.1307099676838022
Energy: 1.2114757494323998
Energy: 1.1634150196012807
Energy: 1.2200701335131818
Energy: 1.1634150196012807
Energy: 1.2677473918091433
Energy: 1.1050821475801076
Energy: 1.1727352320846978
Energy: 1.1050821475801076
Energy: 1.2232207189768027
Energy: 1.1354296945098914
Energy: 1.2835349843736055
Energy: 1.1354296945087552
Energy: 1.1872323042404596
Energy: 1.1278720475291968
Energy: 1.153523400901774
Energy: 1.1278720475303328
Energy: 1.262723864524998
Energy: 1.1285887658666927
Energy: 1.2935120078109872
Energy: 1.1285887661051701

minimum gb energy = 1.1025264609864847 eV
minimum distance =  2.29737996434781 Angstroms
sigma value = 37


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

Energy: 1.6717747618596663
Energy: 1.0505226726280703
Energy: 1.5515614826676638
Energy: 1.050522672628248
Energy: 1.2613310862466776
Energy: 1.1619569657559436
Energy: 1.191392139806151
Energy: 1.1619569657506574
Energy: 1.257906494959058
Energy: 1.0319374858339967
Energy: 1.187924416624902
Energy: 1.0319374858339967
Energy: 1.2491486813127821
Energy: 1.0700559388386879
Energy: 1.1910054237194156
Energy: 1.070055938838888
Energy: 1.3324610421869023
Energy: 1.0309474134272496
Energy: 1.2444366779564189
Energy: 1.0309474134272496
Energy: 1.2305924482365918
Energy: 1.0693051062390366
Energy: 1.1977876004511963
Energy: 1.069305106238459
Energy: 1.1366925396536343
Energy: 1.030778399079134
Energy: 1.2314442872487925
Energy: 1.0307783990793338
Energy: 1.1898590271988883
Energy: 1.1706701601829947
Energy: 1.2119202875273782
Energy: 1.1706701601829947
Energy: 1.1924102132259373
Energy: 1.0325084194150034
Energy: 1.1632443173635088
Energy: 1.0325084194152037
Energy: 1.2298428922367293
Energy: 1.07061296578272
Energy: 1.1843954112252442
Energy: 1.0706129657825423
Energy: 1.120913222696692
Energy: 1.0339126869342523
Energy: 1.2238802669156008
Energy: 1.0339126869338748
Energy: 1.1335471879243184
Energy: 1.0682749266234266
Energy: 1.2517041779718843
Energy: 1.068274926623249
Energy: 1.2512015754912058
Energy: 1.0311144533671694
Energy: 1.1849728789721028
Energy: 1.0311144533669918
Energy: 1.2309259210095533
Energy: 1.0239613225355302
Energy: 1.189931972940213
Energy: 1.023961322536108
Energy: 1.1952376175627661
Energy: 1.0552159375490282
Energy: 1.2428545222619711
Energy: 1.0552159375488284
Energy: 1.1978674001063494
Energy: 1.0619692688265716
Energy: 1.3070730676694764
Energy: 1.0619692688267715
Energy: 1.2514836731634191
Energy: 1.0301416608643663
Energy: 1.185159410724092
Energy: 1.0301416608643663
Energy: 1.1796748607391334
Energy: 1.0280950409052452
Energy: 1.1889901430380776
Energy: 1.0280950409062224
Energy: 1.1202333789053711
Energy: 1.0354730996180685
Energy: 1.2428704192152074
Energy: 1.035473099618646
Energy: 1.123269711475322
Energy: 1.0712696208232397
Energy: 1.244128321700254
Energy: 1.0712696208232397

minimum gb energy = 1.0239613225355302 eV
minimum distance =  2.2960682144281 Angstroms
sigma value = 25


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

Energy: 1.1696749245773401
Energy: 0.95930101331743
Energy: 1.3669656428999304
Energy: 0.95930101331743
Energy: 1.1327186456909708
Energy: 1.2399438173797566
Energy: 1.1259049591841361
Energy: 1.2399438173767041
Energy: 1.1176796234336472
Energy: 0.9421150418786276
Energy: 1.1405791248999348
Energy: 0.9421150418786276
Energy: 1.0753444950120055
Energy: 1.1315830906886164
Energy: 1.121379268384549
Energy: 1.131583090691669
Energy: 1.2925919595659856
Energy: 0.9362100707156572
Energy: 1.1265006050445339
Energy: 0.9362100707156572
Energy: 1.0859178580879278
Energy: 1.0827467240022244
Energy: 1.124368238150463
Energy: 1.082746724029698
Energy: 1.070045073274514
Energy: 0.9361889552027849
Energy: 1.0832041255839358
Energy: 0.9361889552027849
Energy: 1.0912044426104792
Energy: 0.9541622091741588
Energy: 1.1124704478418714
Energy: 0.9541622091650359
Energy: 1.1742972761295918
Energy: 0.9340955209339098
Energy: 1.0686238788108962
Energy: 0.9340955209339098
Energy: 1.1062491262595135
Energy: 1.0053778586017357
Energy: 1.093687661615191
Energy: 1.0053778586017357
Energy: 1.0398946027539966
Energy: 0.9371257363288931
Energy: 1.1917177155040957
Energy: 0.9371257363273668
Energy: 1.0859367544855538
Energy: 0.9545400558246183
Energy: 1.108336282974929
Energy: 0.9545400558246183
Energy: 1.0628542619859158
Energy: 0.9354156951441235
Energy: 1.0594497106651122
Energy: 0.9354156951425973
Energy: 1.150286562558715
Energy: 0.9636699108780438
Energy: 1.0541324849234808
Energy: 0.9636699108780438
Energy: 1.0624712384799124
Energy: 0.9352649900117223
Energy: 1.131314696334227
Energy: 0.9352649900132486
Energy: 1.0944119932646867
Energy: 0.9358327271775901
Energy: 1.1144835179732633
Energy: 0.9358327272188003
Energy: 1.1148158335784055
Energy: 0.9425148219407862
Energy: 1.0998369071685046
Energy: 0.9425148219407862
Energy: 1.1348216573444834
Energy: 1.0602583209625291
Energy: 1.0854856186060615
Energy: 1.0602583209136875
Energy: 1.1307252063974509
Energy: 0.9568657977276268
Energy: 1.1093258762571454
Energy: 0.9568657977276268
Energy: 1.146258358932608
Energy: 1.0721520051014224
Energy: 1.1186509098698332
Energy: 1.0721520049915634
Energy: 1.1146006213276256
Energy: 0.9409127126774997
Energy: 1.0993714401701553
Energy: 0.9409127126774997
Energy: 1.1449870361041865
Energy: 0.9521693946599517
Energy: 1.0892159002457396
Energy: 0.952169394661478
Energy: 1.0622216396923163
Energy: 0.9358847087327878
Energy: 1.1086064800385822
Energy: 0.9358847087327878
Energy: 1.098515136227105
Energy: 0.9476262977370083
Energy: 1.0961678403839468
Energy: 0.9476262977370083
Energy: 1.0509329312778712
Energy: 0.9359458080788486
Energy: 1.0610315518046358
Energy: 0.9359458080788486
Energy: 1.1396956084719911
Energy: 0.9531088582998023
Energy: 1.054218993343801
Energy: 0.9531088582998023

minimum gb energy = 0.9340955209339098 eV
minimum distance =  2.30575109402588 Angstroms
sigma value = 41


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

Energy: 1.1159948339509693
Energy: 0.8885604278094612
Energy: 1.218597744577009
Energy: 0.88856042780821
Energy: 1.031228039784527
Energy: 0.9963680573067119
Energy: 1.0078437218801004
Energy: 0.996368361595588
Energy: 1.0144537066419068
Energy: 0.8689299541797381
Energy: 1.075749727986502
Energy: 0.8689299541797381
Energy: 1.0307363069424424
Energy: 0.9478655406765241
Energy: 1.042016877593878
Energy: 0.9478655321488024
Energy: 1.0576558506220788
Energy: 0.8602287840194792
Energy: 1.0166027333833643
Energy: 0.8602287840194792
Energy: 1.0195255090806583
Energy: 0.8968919035953395
Energy: 0.9917476267012075
Energy: 0.896891903592837
Energy: 1.0201489296871877
Energy: 0.8571982883004319
Energy: 1.3830011561018007
Energy: 0.8571982883004319
Energy: 1.0253002423639923
Energy: 0.8881524817730456
Energy: 1.0019221841577899
Energy: 0.8881524815441684
Energy: 1.346449058563046
Energy: 0.8552658189975784
Energy: 1.0430261211353493
Energy: 0.8552658189988297
Energy: 1.0150989516006697
Energy: 1.303888070006299
Energy: 1.0578926186464641
Energy: 1.303888070006299
Energy: 1.0034069197238784
Energy: 0.8568113220424906
Energy: 1.185704729779314
Energy: 0.8568113220424906
Energy: 1.0093834941183777
Energy: 0.9019179731803544
Energy: 1.0128496813918388
Energy: 0.9019179731803544
Energy: 1.1980630244392771
Energy: 0.8557521214234283
Energy: 0.9864130833438197
Energy: 0.8557521214234283
Energy: 1.018038053113034
Energy: 0.8813946420667405
Energy: 0.9978483850869092
Energy: 0.8813946420679918
Energy: 0.9998975665759569
Energy: 0.8567700599948089
Energy: 1.0790181881286023
Energy: 0.8567700599948089
Energy: 0.995115827635423
Energy: 0.8831802506618175
Energy: 1.033098613408285
Energy: 0.8831802506643202
Energy: 1.1063328314262664
Energy: 0.8561898104769186
Energy: 0.9995736973777812
Energy: 0.8561898104769186
Energy: 1.0204552681474874
Energy: 0.8687936576908462
Energy: 1.0174064760056525
Energy: 0.8687936576908462
Energy: 1.0299517117276493
Energy: 0.8609012616861145
Energy: 1.0091169890318756
Energy: 0.8609012616861145
Energy: 1.025633967827445
Energy: 0.9686510042059873
Energy: 1.0534058549395928
Energy: 0.9686495210299914
Energy: 1.012375685581195
Energy: 0.8680486314462879
Energy: 1.0594476401824924
Energy: 0.8680486314462879
Energy: 1.0331711009596756
Energy: 0.9842959417553943
Energy: 1.0547635891207323
Energy: 0.9842959417666562
Energy: 1.0938062632864543
Energy: 0.8882639684769003
Energy: 1.0088127049154563
Energy: 0.8882639684769003
Energy: 1.021162531821319
Energy: 0.9805977708845125
Energy: 1.0362542481209696
Energy: 0.9805977708282032
Energy: 1.0184351007725378
Energy: 0.8763145080665448
Energy: 1.058190404462787
Energy: 0.876314508067796
Energy: 1.0051380625064859
Energy: 0.8862143350642261
Energy: 1.0587087565756184
Energy: 0.8862143350642261
Energy: 1.0265620685566705
Energy: 0.8618031729857267
Energy: 1.008884799258514
Energy: 0.8618031729844754
Energy: 1.01485399386538
Energy: 0.8740783803089064
Energy: 1.0221859318008009
Energy: 0.874078380315163
Energy: 1.0185193250922424
Energy: 0.8585140927350189
Energy: 0.9997328252394755
Energy: 0.8585140927337676
Energy: 1.017507048988271
Energy: 0.8554297714380247
Energy: 1.008109106534617
Energy: 0.8554297714417786
Energy: 0.9995855807742752
Energy: 0.8568965762237257
Energy: 0.9844312197146202
Energy: 0.8568965762224745
Energy: 0.9990330584177981
Energy: 0.8795598438638158
Energy: 1.0390127606155402
Energy: 0.8795598438638158

minimum gb energy = 0.8552658189975784 eV
minimum distance =  2.30672201917368 Angstroms
sigma value = 15


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

Energy: 1.0480283449827552
Energy: 1.0057443283509424
Energy: 1.109349481822595
Energy: 1.0057443283477623
Energy: 0.9485743051306357
Energy: 0.9616156967954003
Energy: 0.9482549350313045
Energy: 0.9616156968896957
Energy: 0.935511591700533
Energy: 0.8153768837306856
Energy: 0.9729677445286619
Energy: 0.8153768837296255
Energy: 0.9344122520715449
Energy: 0.836442846970595
Energy: 0.948454473736769
Energy: 0.836442846969535
Energy: 1.5264585322292825
Energy: 0.8031824801652543
Energy: 0.9355437385876814
Energy: 0.8031824801652543
Energy: 0.9578630028011339
Energy: 0.879105103377237
Energy: 0.9354901839457882
Energy: 0.8791050958701722
Energy: 0.9406440679257189
Energy: 0.7938342846296963
Energy: 0.9740110930996755
Energy: 0.7938342846318163
Energy: 0.9255438027336919
Energy: 0.8243148476409761
Energy: 0.9607927326228399
Energy: 0.8243148476600567
Energy: 1.3792097991458971
Energy: 0.7934091173880442
Energy: 0.9529395066515158
Energy: 0.7934091173891044
Energy: 0.9408567790305763
Energy: 0.8123338026226193
Energy: 0.9365039901295718
Energy: 0.8123338026215591
Energy: 0.931803572675447
Energy: 0.7928832806936187
Energy: 0.9337899653797973
Energy: 0.7928832806936187
Energy: 0.9349582494033603
Energy: 0.8358222804922939
Energy: 0.9477024136483739
Energy: 0.8358222322299346
Energy: 1.2313266883309555
Energy: 0.79281781978364
Energy: 1.00654782957523
Energy: 0.7928178197846999
Energy: 0.945821520834842
Energy: 0.8413996923459883
Energy: 0.9381861022531524
Energy: 0.8413996923481083
Energy: 0.9376760768621464
Energy: 0.7929672567139247
Energy: 0.9241904957159762
Energy: 0.7929672567160446
Energy: 0.9405657354679895
Energy: 0.8301901011709991
Energy: 0.9471480031856087
Energy: 0.8301901011731192
Energy: 1.1222985130896161
Energy: 0.7927616852012884
Energy: 0.9307119623483256
Energy: 0.7927616852002284
Energy: 0.9703398783868039
Energy: 0.7994550177737899
Energy: 0.9219231557933355
Energy: 0.7994550177748498
Energy: 0.9481956476447297
Energy: 0.7928563077652593
Energy: 0.9847379321847632
Energy: 0.7928563077663193
Energy: 0.9678150949514258
Energy: 0.8087288989822785
Energy: 0.9314175401868663
Energy: 0.8087288989833387
Energy: 0.9447970647736613
Energy: 0.7961428226720059
Energy: 0.9279070555843374
Energy: 0.7961428226720059
Energy: 0.9467635159933248
Energy: 0.8741759431538784
Energy: 0.9737084692567199
Energy: 0.8741759431528181
Energy: 0.9922723437932963
Energy: 0.8042124149301558
Energy: 0.9307371555616994
Energy: 0.8042124149280356
Energy: 0.9369501221000556
Energy: 0.9048875652505419
Energy: 0.9453291019728555
Energy: 0.9048876032859163
Energy: 0.9335664609954558
Energy: 0.816258437777778
Energy: 0.9560344923438943
Energy: 0.816258437777778
Energy: 0.9700786042534562
Energy: 0.9339196433708878
Energy: 0.9495298819502437
Energy: 0.9339196431939093
Energy: 1.045886727477797
Energy: 0.8252760599563458
Energy: 0.9312358833583478
Energy: 0.8252760599563458
Energy: 1.108971044727472
Energy: 0.8930836931266956
Energy: 0.9455645691748004
Energy: 0.8930836935261864
Energy: 0.9398510032136109
Energy: 0.8168737234863681
Energy: 0.9677909827879596
Energy: 0.8168737234895482
Energy: 0.9695697039837495
Energy: 0.915910336460566
Energy: 0.9455273957035971
Energy: 0.915910336459506
Energy: 1.1865943419185623
Energy: 0.8061691086880582
Energy: 0.9305419230290999
Energy: 0.8061691086891184
Energy: 0.9377403901697684
Energy: 0.8246918347688917
Energy: 0.931876415854006
Energy: 0.8246918347678317
Energy: 0.9395355978884575
Energy: 0.7951199824704283
Energy: 0.928856322502189
Energy: 0.7951199824714883
Energy: 0.9433240338346108
Energy: 0.8046149916860604
Energy: 0.9471990100046436
Energy: 0.8046149916850004
Energy: 0.9452223459364111
Energy: 0.7927556752331307
Energy: 0.9499000148569846
Energy: 0.7927556752352509
Energy: 0.9527829257185172
Energy: 0.8078022663801174
Energy: 0.9379207643889815
Energy: 0.8078022663801174
Energy: 0.9279112955781286
Energy: 0.7950261386724148
Energy: 0.9304247319079172
Energy: 0.7950261386724148

minimum gb energy = 0.7927556752331307 eV
minimum distance =  2.31845880853538 Angstroms
sigma value = 85


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

Energy: 0.981733103892597
Energy: 0.7699540560961251
Energy: 0.9920466181865296
Energy: 0.7699540561007219
Energy: 0.8549428779863052
Energy: 0.9200551311746653
Energy: 0.8603589162135369
Energy: 0.9200556334857843
Energy: 0.8469804032166647
Energy: 0.767712275783111
Energy: 0.9947421287908372
Energy: 0.7677122757840303
Energy: 0.8462959354558734
Energy: 0.7768030657962613
Energy: 0.8613614455698644
Energy: 0.7768030609542249
Energy: 0.9287721932529309
Energy: 0.7349390810088964
Energy: 0.848065014429698
Energy: 0.7349390810098156
Energy: 0.846984838406197
Energy: 0.7827122733352183
Energy: 0.8519770731270462
Energy: 0.7827122733315408
Energy: 0.8618052796832985
Energy: 0.7362052962382475
Energy: 0.9375021508270521
Energy: 0.7362052962373281
Energy: 0.8538711062650448
Energy: 0.7929261391269123
Energy: 0.85213800393698
Energy: 0.7929261391278317
Energy: 0.8890824406472031
Energy: 0.7178597578521317
Energy: 0.8757753952223011
Energy: 0.717859757853051
Energy: 0.8765781305147546
Energy: 0.8496503943655327
Energy: 0.8570730675818038
Energy: 0.8496503943646133
Energy: 0.8403805668175448
Energy: 0.7177757747470239
Energy: 0.8976797994793582
Energy: 0.7177757747479433
Energy: 0.8728374595337202
Energy: 0.7302609898387268
Energy: 0.8566360427883646
Energy: 0.7302609898304525
Energy: 0.8667299344560534
Energy: 0.7187875343592276
Energy: 0.861369653924679
Energy: 0.7187875343592276
Energy: 0.8851713572184653
Energy: 0.7601177477056392
Energy: 0.8717053537915893
Energy: 0.7601177477038005
Energy: 0.8397289343079306
Energy: 0.7185408321534349
Energy: 1.0326082624977249
Energy: 0.7185408321525155
Energy: 0.8672763135027423
Energy: 0.7578529555462367
Energy: 0.884240241710348
Energy: 0.7578529555462367
Energy: 0.8444278450516699
Energy: 0.7187852161386955
Energy: 0.8619864653538764
Energy: 0.7187852161377762
Energy: 0.8836456609219697
Energy: 0.7582603672379394
Energy: 0.8917474879051763
Energy: 0.7582603672388587
Energy: 0.8464810691873662
Energy: 0.7185587533307194
Energy: 0.866003307269714
Energy: 0.7185587533298001
Energy: 0.8554465820500925
Energy: 0.7293455848966087
Energy: 0.8843578559742467
Energy: 0.7293455848966087
Energy: 0.9413094759563576
Energy: 0.7189969975255757
Energy: 0.8740345537418498
Energy: 0.7189969975246562
Energy: 0.8541693320533867
Energy: 0.7306501997786614
Energy: 0.8568534606593683
Energy: 0.7306501997887744
Energy: 0.8624090906932017
Energy: 0.7188810436230432
Energy: 0.8775671763206565
Energy: 0.7188810436221239
Energy: 0.8544689763421066
Energy: 0.8055167996783269
Energy: 0.8481239802771932
Energy: 0.8055167996774076
Energy: 0.9087384476647278
Energy: 0.7378246798153446
Energy: 0.9002046354318936
Energy: 0.7378246798153446
Energy: 0.8468520072546716
Energy: 0.7839698189521711
Energy: 0.8519894041545508
Energy: 0.7839698192306164
Energy: 0.8899735116958091
Energy: 0.7349774741571636
Energy: 0.8487675486660812
Energy: 0.7349774741571636
Energy: 0.8649633216148734
Energy: 0.7860297321992237
Energy: 0.8397631996341494
Energy: 0.786029730132468
Energy: 0.8460040534922074
Energy: 0.7675109963124479
Energy: 0.9545458870809647
Energy: 0.7675109963161044
Energy: 0.8595189856237827
Energy: 0.7894547891005597
Energy: 1.051638925943794
Energy: 0.789454789210843
Energy: 0.966856344532791
Energy: 0.7696311897446555
Energy: 0.8489615994575029
Energy: 0.76963118920983
Energy: 0.970030060712992
Energy: 0.8092722022051142
Energy: 0.8395492184503456
Energy: 0.8092722024468054
Energy: 0.8460499276065251
Energy: 0.7685556265333532
Energy: 0.9417718000585353
Energy: 0.7685556265250998
Energy: 0.8451000411103454
Energy: 0.7805047727187192
Energy: 1.1239747729319856
Energy: 0.7805047726764489
Energy: 0.8998277576499192
Energy: 0.7350745244136925
Energy: 0.8486496612695409
Energy: 0.7350745244136925
Energy: 0.8649054477689494
Energy: 0.7151888755814835
Energy: 0.848228446226464
Energy: 0.7151888755879192
Energy: 0.8622779207442709
Energy: 0.7380052595729465
Energy: 0.8958280001722457
Energy: 0.7380052595720272
Energy: 0.8546395530483739
Energy: 0.7144861746994409
Energy: 0.8524875774074453
Energy: 0.7144861746994409
Energy: 0.8614740076739903
Energy: 0.7207099440387427
Energy: 0.8770745834746706
Energy: 0.7207099440387427
Energy: 0.870509588345262
Energy: 0.7136511611849728
Energy: 0.8704360418938027
Energy: 0.7136511611849728
Energy: 0.8456251817196774
Energy: 0.718963558685457
Energy: 0.8739612400834337
Energy: 0.718963558685457
Energy: 0.895085784084606
Energy: 0.7310043662763684
Energy: 0.8568176311133274
Energy: 0.7310043662754491
Energy: 0.8464158018141916
Energy: 0.7159761969593708
Energy: 0.863091264898525
Energy: 0.7159761969593708

minimum gb energy = 0.7136511611849728 eV
minimum distance =  2.32224501876863 Angstroms
sigma value = 113


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

Energy: 0.014951354439925894
Energy: 0.015238580816683885
Energy: 1.53651180657069
Energy: 0.015238580817390655
Energy: 0.015394783511480107
Energy: 0.6921850908199084
Energy: 0.015394783510812603
Energy: 0.6921850908206152
Energy: 1.5365118065700223
Energy: 0.015238580816683885
Energy: 0.014951354439925894
Energy: 0.015238580816683885
Energy: 0.015394783509438332
Energy: 0.6921850908199084
Energy: 0.015394783509438332
Energy: 0.6921850908199084
Energy: 0.014951354439258394
Energy: 0.015238580817390655
Energy: 1.5365118065700223
Energy: 0.015238580816683885
Energy: 0.015394783509438332
Energy: 0.6921850908199084
Energy: 0.015394783508731564
Energy: 0.6921850908199084

minimum gb energy = 0.014951354439258394 eV
minimum distance =  2.45897522123253 Angstroms
sigma value = 1