Model name: model_name=MEAM_LAMMPS_Lee_2006_FeC__MO_856956178669_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=4.290337405487055
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: 0.01321463047582008
Energy: 0.013619729637906816
Energy: 2.7245543050174765
Energy: 0.013619729637906816
Energy: 0.013619729637906816
Energy: 0.013966562931806915
Energy: 0.5588463581930277
Energy: 0.013966562931806915
Energy: 2.7245543050184486
Energy: 0.5588463581930277
Energy: 0.013507583408201573
Energy: 0.558846358192056
Energy: 0.013619729637906816
Energy: 0.013966562931806915
Energy: 0.5588463581930277
Energy: 0.013966562931806915

minimum gb energy = 0.01321463047582008 eV
minimum distance =  2.47612722903678 Angstroms
sigma value = 1


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

Energy: 1.5685962555018471
Energy: 1.393053126795476
Energy: 2.3917234237591622
Energy: 1.393053126796688
Energy: 1.5239020363584603
Energy: 1.1176929164146485
Energy: 1.0887090832079618
Energy: 1.1176929164037386
Energy: 1.6452675542488227
Energy: 1.0507168211317401
Energy: 0.9593674710609918
Energy: 1.0507168211317401
Energy: 1.3514364364177258
Energy: 1.1158704095433325
Energy: 1.102981269320455
Energy: 1.115870409546969
Energy: 1.393615861111158
Energy: 1.1864023771592722
Energy: 1.4272810074241051
Energy: 1.1864023771592722
Energy: 1.5797304634062401
Energy: 1.0711194352858928
Energy: 0.9183559805859496
Energy: 1.0711194353271078
Energy: 1.1931379659330597
Energy: 1.1930006319180337
Energy: 0.9183048740889673
Energy: 1.1930006319180337
Energy: 0.9150551615554862
Energy: 1.085407956137846
Energy: 1.422789148890974
Energy: 1.085407956137846
Energy: 1.1661608219432522
Energy: 1.1632099316350692
Energy: 1.3338808188029807
Energy: 1.1632099316338569
Energy: 1.5880060509039993
Energy: 1.2216310487141593
Energy: 1.1879373148988734
Energy: 1.2216310499040468
Energy: 1.034068184508466
Energy: 1.1610015417754167
Energy: 1.3175268019173623
Energy: 1.1610015417754167
Energy: 0.9322569124322789
Energy: 0.9394507955339799
Energy: 2.02561911153163
Energy: 0.9394507955351922
Energy: 1.1687623622969583
Energy: 1.167428904813011
Energy: 1.3522384099335605
Energy: 1.167428904813011
Energy: 1.0558997402697132
Energy: 1.1857966091094785
Energy: 1.474750111488947
Energy: 1.1857966091106908
Energy: 1.009241149625988
Energy: 1.1663648507315665
Energy: 1.5519589931942852
Energy: 1.1663648507303541
Energy: 1.0041879556675437
Energy: 1.1363596649945558
Energy: 1.52956207037774
Energy: 1.1363596649945558
Energy: 1.0061797661302627
Energy: 1.1872941109203416
Energy: 1.476457415526024
Energy: 1.1872941109203416
Energy: 1.1650892691032784
Energy: 1.1638527924926807
Energy: 1.353093206026714
Energy: 1.163852792493893
Energy: 0.9501000683136234
Energy: 0.9383744367089554
Energy: 2.1432436820821583
Energy: 0.9383744367089554
Energy: 1.061484575062845
Energy: 1.145569359501941
Energy: 1.1261916448429041
Energy: 1.1455693594983043
Energy: 1.5663262656344572
Energy: 1.1845380116252369
Energy: 1.1881691221146495
Energy: 1.184538011626449
Energy: 1.1490417137270688
Energy: 1.1263427454796604
Energy: 1.344564962284296
Energy: 1.1263427454372332
Energy: 1.1658076390906178
Energy: 1.1274696228599106
Energy: 1.2481105431409636
Energy: 1.1274696228611227
Energy: 1.3704746973541797
Energy: 1.1892129197865842
Energy: 0.9184729933967304
Energy: 1.1892129197865842
Energy: 1.546577687320713
Energy: 1.0678359637667225
Energy: 1.0052528576048871
Energy: 1.0678359637715715
Energy: 1.4394523963165873
Energy: 1.181999576919383
Energy: 1.354732169961888
Energy: 1.1819995769205953
Energy: 1.3518888971368983
Energy: 1.1059807267070743
Energy: 1.0297153340129803
Energy: 1.1059807267058621
Energy: 1.9268098898537052
Energy: 0.9625225586642443
Energy: 0.9516848315122624
Energy: 0.9625225586654566
Energy: 1.5231960113974776
Energy: 1.1140187224075957
Energy: 1.0799573587058098
Energy: 1.1140187223978981
Energy: 1.4772205819458917
Energy: 1.1941525904818275
Energy: 0.9548750198170217
Energy: 1.1941525904830397
Energy: 1.523274222990044
Energy: 1.1371001175779123
Energy: 1.0052097810562026
Energy: 1.1371001175791247
Energy: 1.568149288818173
Energy: 1.126701081321228
Energy: 0.9520244218109587
Energy: 1.126701081321228
Energy: 1.3935394638499181
Energy: 1.1887173717742552
Energy: 1.0995990109716096
Energy: 1.1887173717742552

minimum gb energy = 0.9150551615554862 eV
minimum distance =  2.28277342828777 Angstroms
sigma value = 1


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

Energy: 1.6188110046550785
Energy: 1.2762230518610873
Energy: 1.9778209530383284
Energy: 1.2762230520061475
Energy: 1.3875075567807555
Energy: 1.0988659651718344
Energy: 1.178248806702762
Energy: 1.0988659651386634
Energy: 1.4804772559211967
Energy: 1.0074168637015493
Energy: 1.028860142530505
Energy: 1.007416863711224
Energy: 0.942054997513609
Energy: 1.2420853516300798
Energy: 1.1647855947968437
Energy: 1.2420853516300798
Energy: 0.9420786846062956
Energy: 1.1824180094134298
Energy: 1.5194076375364418
Energy: 1.182418009416194
Energy: 1.4909159005499562
Energy: 0.971736875487516
Energy: 0.965527702988255
Energy: 0.9717368754750768
Energy: 1.1311741488519826
Energy: 1.159232796395117
Energy: 1.0286703646861872
Energy: 1.159232796396499
Energy: 0.9655123425940458
Energy: 0.9890517681117061
Energy: 1.4998687231444263
Energy: 0.9890517681117061
Energy: 1.0406600106593555
Energy: 1.1805796596464253
Energy: 1.4261757039672696
Energy: 1.1805796596464253
Energy: 1.7533029943375558
Energy: 0.9696619394581103
Energy: 0.9421748643048499
Energy: 0.9696619394594923
Energy: 1.0339838956717649
Energy: 1.2401422774468531
Energy: 1.4311836022377817
Energy: 1.2401422774468531
Energy: 1.0425755235397645
Energy: 1.123825306259031
Energy: 1.8991189782452704
Energy: 1.123825306259031
Energy: 1.0454211784506795
Energy: 1.1899379488220259
Energy: 1.4992573404742289
Energy: 1.1899379488220259
Energy: 1.0454211784520617
Energy: 1.1087880537797878
Energy: 1.4991335721313934
Energy: 1.10878805378117
Energy: 1.0423031916932228
Energy: 1.1217329760609414
Energy: 1.8992225292130545
Energy: 1.1217329760609414
Energy: 1.0339378209200358
Energy: 1.2462824231440828
Energy: 1.4262716491226475
Energy: 1.2462824231440828
Energy: 1.7533029948528684
Energy: 0.9498483711945666
Energy: 0.9421699588412898
Energy: 0.9498483711931843
Energy: 1.0325768739845338
Energy: 1.1777098570676863
Energy: 1.4272129446573012
Energy: 1.1777098570676863
Energy: 0.9655219526812764
Energy: 0.9782452992365771
Energy: 1.4998687231458083
Energy: 0.9782452992269022
Energy: 1.1311049473054144
Energy: 1.1656502662303798
Energy: 1.0492413970400603
Energy: 1.1656502662303798
Energy: 1.4876067555660681
Energy: 0.9691473221315613
Energy: 0.9654384495246485
Energy: 0.9691473221425871
Energy: 0.9420816292421677
Energy: 1.2418169815344626
Energy: 1.5194076375364418
Energy: 1.2418169815358446
Energy: 0.9419243710387389
Energy: 1.2396584161292359
Energy: 1.164785594798226
Energy: 1.2396584161292359
Energy: 1.4900225498777737
Energy: 1.0007346068758247
Energy: 1.0289167752708477
Energy: 1.0007346068744427
Energy: 1.3880482571852701
Energy: 1.1707766170742686
Energy: 1.17824880670138
Energy: 1.1707766170742686
Energy: 1.6188110046550785
Energy: 1.2762230537275203
Energy: 1.9778209530038067
Energy: 1.2762230545384816
Energy: 1.3875075567807555
Energy: 1.0988659653721482
Energy: 1.178248806702762
Energy: 1.0988659653776767
Energy: 1.4804772559211967
Energy: 1.0074168637084597
Energy: 1.028860142530505
Energy: 1.0074168637084597
Energy: 0.942054997513609
Energy: 1.2420853516300798
Energy: 1.1647855947968437
Energy: 1.2420853516300798

minimum gb energy = 0.9419243710387389 eV
minimum distance =  2.29868385856142 Angstroms
sigma value = 25


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

Energy: 1.4058340967562746
Energy: 1.7460154026960413
Energy: 2.031211255567693
Energy: 1.7460154026960413
Energy: 1.519817539664654
Energy: 1.2364593798704957
Energy: 1.2170321499989876
Energy: 1.2364593798704957
Energy: 1.5271716352992506
Energy: 1.0742609153341363
Energy: 1.0807828259734626
Energy: 1.0742609153341363
Energy: 1.3068764291048844
Energy: 1.2453250013864174
Energy: 1.2428904476299099
Energy: 1.2453250013864174
Energy: 1.3064122673330445
Energy: 1.208655077789986
Energy: 1.3564292733650363
Energy: 1.2086550777835594
Energy: 1.5268063961668719
Energy: 1.027794252179373
Energy: 1.018511733821101
Energy: 1.0277941838259168
Energy: 1.1728447415285983
Energy: 1.282012144793373
Energy: 1.0885538466044178
Energy: 1.282012144793373
Energy: 1.0404197648204825
Energy: 1.0516524656202226
Energy: 1.6065522862386463
Energy: 1.051652465618616
Energy: 1.214948679868782
Energy: 1.2748621626237784
Energy: 1.2979925916840425
Energy: 1.2748621626237784
Energy: 1.1162658754431698
Energy: 1.0224607575859523
Energy: 1.3892901964209285
Energy: 1.0224614010561375
Energy: 1.1535649609507777
Energy: 1.2776730913689387
Energy: 1.5216570960462912
Energy: 1.2776730913689387
Energy: 1.151906651126358
Energy: 1.0560784671384655
Energy: 1.5199231719042239
Energy: 1.0560784670726282
Energy: 1.1213271417059936
Energy: 1.0261026068411032
Energy: 1.3886596636304434
Energy: 1.0261026064556444
Energy: 1.2066769781649331
Energy: 1.2771182919142696
Energy: 1.2979835959621377
Energy: 1.2771182919142696
Energy: 1.0466925589993568
Energy: 1.048997429418349
Energy: 1.8782094627600319
Energy: 1.048997429418349
Energy: 1.1822269441560198
Energy: 1.2449202395103416
Energy: 1.0187648534122755
Energy: 1.244920239508735
Energy: 1.8889918715785867
Energy: 1.0523547740782069
Energy: 1.018594587546765
Energy: 1.0523547740621402
Energy: 1.3214986971842015
Energy: 1.0247894385435452
Energy: 1.4015545942858811
Energy: 1.0247894379284763
Energy: 1.1634559848207846
Energy: 1.248285442550445
Energy: 1.2491124188521008
Energy: 1.2482854425520518
Energy: 1.382357233419182
Energy: 1.0545700326769467
Energy: 1.0819163772887366
Energy: 1.0545700325468412
Energy: 1.5236681854597676
Energy: 1.0383879761998067
Energy: 1.0762306934657708
Energy: 1.0383879760552779
Energy: 1.3908019798351483
Energy: 1.279709275531735
Energy: 1.0937334769113067
Energy: 1.2797092755349484
Energy: 1.5212744016959203
Energy: 1.1953762049554553
Energy: 1.2257397283130904
Energy: 1.1953762049345682
Energy: 1.784127375293752
Energy: 1.0665000107980516
Energy: 1.0652659782589966
Energy: 1.0665000107980516
Energy: 1.3067474515596909
Energy: 1.2109064648048433
Energy: 1.1103951726544137
Energy: 1.2109064648032366

minimum gb energy = 1.018511733821101 eV
minimum distance =  2.2892469600662 Angstroms
sigma value = 9


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

Energy: 1.0313507861970834
Energy: 1.0374868246108377
Energy: 2.027125759301286
Energy: 1.0374868246104458
Energy: 1.0304669181031036
Energy: 1.284773232297606
Energy: 1.0713276984876763
Energy: 1.284773232297606
Energy: 1.2044904043402809
Energy: 1.1295295365791669
Energy: 1.189372074029173
Energy: 1.1295295368437315
Energy: 1.071323311798259
Energy: 1.0760547974077248
Energy: 1.0712472928147414
Energy: 1.0760547974560117
Energy: 1.1675714169962867
Energy: 1.1379823418828325
Energy: 1.2654088131936787
Energy: 1.1379823395237054
Energy: 1.8677105856494423
Energy: 1.0774076172221934
Energy: 1.0713917411724632
Energy: 1.0774076172168354
Energy: 1.1698033328207549
Energy: 1.2257174519270702
Energy: 1.178280509623062
Energy: 1.225717451921146
Energy: 1.1638319740805163
Energy: 1.1672685728501604
Energy: 1.7264850309461346
Energy: 1.1672685728497683
Energy: 1.4192258770933164
Energy: 1.229852340264855
Energy: 1.0304097055684127
Energy: 1.229852340265051
Energy: 1.264767629617683
Energy: 1.0343844223200993
Energy: 1.0304641115170499
Energy: 1.0343844223199035
Energy: 1.1241543039329474
Energy: 1.0809642682988556
Energy: 1.6807757114024642
Energy: 1.0809642682948262
Energy: 1.1644364154430478
Energy: 1.0426452578090564
Energy: 1.259836213246797
Energy: 1.0426452578128897
Energy: 1.407869412222929
Energy: 1.0735793985392688
Energy: 1.0717775999184525
Energy: 1.0735793985390727
Energy: 1.2095255908120222
Energy: 1.1202497839654562
Energy: 1.2537631525482962
Energy: 1.12024978396526
Energy: 1.0717793428465354
Energy: 1.073723559724071
Energy: 1.407869412283282
Energy: 1.0737235597246593
Energy: 1.162919095764605
Energy: 1.0449923096505962
Energy: 1.1647959405265451
Energy: 1.044992309649834
Energy: 1.6854557295116868
Energy: 1.129355752317295
Energy: 1.0721579932733525
Energy: 1.129355752744144
Energy: 1.0304750957727522
Energy: 1.0359032386003522
Energy: 1.2647676296180532
Energy: 1.0359032386001563
Energy: 1.0304308008464902
Energy: 1.309354239497477
Energy: 1.4192258770885244
Energy: 1.3093542395022686
Energy: 1.7259474968870088
Energy: 1.1655140847004188
Energy: 1.1639309191377283
Energy: 1.1655140847004188
Energy: 1.1963929618533184
Energy: 1.21318963415128
Energy: 1.1731525811538264
Energy: 1.2131896341413266

minimum gb energy = 1.0304097055684127 eV
minimum distance =  2.31422204824593 Angstroms
sigma value = 25


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

Energy: 1.187258515917896
Energy: 1.7698008217624561
Energy: 1.9728056519753343
Energy: 1.7698008217622136
Energy: 1.5975370161577334
Energy: 1.2734237382630311
Energy: 1.205486298866709
Energy: 1.2734237382635158
Energy: 1.3544965561361866
Energy: 1.2180571663270534
Energy: 1.2155388430849563
Energy: 1.2180571663260837
Energy: 1.149066149192452
Energy: 1.3394737955860299
Energy: 1.2715975353411826
Energy: 1.339473795585087
Energy: 1.3610965005343767
Energy: 1.243540897985448
Energy: 1.6163712819150138
Energy: 1.243540897989219
Energy: 1.748688564173458
Energy: 1.1790800642577786
Energy: 1.1839398341182408
Energy: 1.1790800638654362
Energy: 1.3265581441682723
Energy: 1.3295498948704534
Energy: 1.258287810524538
Energy: 1.3295498947877613
Energy: 1.3584756730111978
Energy: 1.3417505607111342
Energy: 1.6618894480489088
Energy: 1.3417505607118345
Energy: 1.3317135409998557
Energy: 1.2887620970815912
Energy: 1.220410034061091
Energy: 1.2887620970815912
Energy: 1.425343719941811
Energy: 1.324413437587509
Energy: 1.2147771437325119
Energy: 1.3244134375877512
Energy: 1.23351801813737
Energy: 1.3424292513729716
Energy: 1.6001815639677557
Energy: 1.3424292513725138
Energy: 1.3037788200230553
Energy: 1.3379786105270188
Energy: 1.1889003274298966
Energy: 1.337978610527477
Energy: 1.4814774364176617
Energy: 1.1978263938043463
Energy: 1.187541365376613
Energy: 1.1978263938043463
Energy: 1.6271970456383118
Energy: 1.2988396354472709
Energy: 1.4611861390093908
Energy: 1.2988396356318328
Energy: 1.6261009323314493
Energy: 1.301605469460587
Energy: 1.3816723398780664
Energy: 1.3016054694601022
Energy: 1.6447709512567454
Energy: 1.2467511352652796
Energy: 1.2548784314566117
Energy: 1.2467511352683505
Energy: 1.3789789546471132
Energy: 1.2950140172987032
Energy: 1.2650809033345476
Energy: 1.2950140172972757

minimum gb energy = 1.149066149192452 eV
minimum distance =  2.30316431714086 Angstroms
sigma value = 17


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

Energy: 1.683539860958088
Energy: 1.5748117515661546
Energy: 2.111297046555147
Energy: 1.5748117515661546
Energy: 1.441898355515093
Energy: 1.2970983461400112
Energy: 1.3195864387989067
Energy: 1.2970983461400112
Energy: 1.5992603843361106
Energy: 1.3299943946032002
Energy: 1.250960801944153
Energy: 1.3299943946032002
Energy: 1.2524595320541836
Energy: 1.3362922809307956
Energy: 1.3834774463051687
Energy: 1.3362922809307956
Energy: 1.298760968214309
Energy: 1.2897627889419074
Energy: 1.609496011367491
Energy: 1.2897627889419074
Energy: 1.5786319432211176
Energy: 1.258576658377286
Energy: 1.2564451491074546
Energy: 1.2585766583692313
Energy: 1.3430055413748578
Energy: 1.3360018326394956
Energy: 1.536320223464195
Energy: 1.336001832640838
Energy: 1.308680481084728
Energy: 1.2973384191888142
Energy: 1.6051576516082786
Energy: 1.2973384191874717
Energy: 1.3097086282763364
Energy: 1.3414410001517083
Energy: 1.2245165057954523
Energy: 1.3414410001530508
Energy: 1.5027275223091547
Energy: 1.3271923797125431
Energy: 1.3780423363686678
Energy: 1.3271923797165706
Energy: 1.2587940006732212
Energy: 1.3152926392458886
Energy: 1.5089364189652827
Energy: 1.3152926392458886
Energy: 1.3709201649706393
Energy: 1.3439417436831638
Energy: 1.3066214627602333
Energy: 1.3439417436831638
Energy: 1.5982908292819282
Energy: 1.3659460266487868
Energy: 1.3230645873187938
Energy: 1.3659460266487868
Energy: 1.2586146063294232
Energy: 1.327685159465826
Energy: 1.4028411279883681
Energy: 1.3276851594644838
Energy: 1.3488336565501788
Energy: 1.3497858332692485
Energy: 1.5378144102120845
Energy: 1.3497858332692485
Energy: 1.4992021568978013
Energy: 1.3324036271055506
Energy: 1.2300595523163116
Energy: 1.3324036271055506
Energy: 1.3238660409480414
Energy: 1.3816452385309563
Energy: 1.3616117368071705
Energy: 1.3816452385309563
Energy: 1.3491815217325298
Energy: 1.364362069138777
Energy: 1.4512572090780096
Energy: 1.364362069138777
Energy: 1.3445679339406722
Energy: 1.3355447468832842
Energy: 1.3961641507940552
Energy: 1.3355447468832842
Energy: 1.614491267902894
Energy: 1.3129284378130144
Energy: 1.528525720654763
Energy: 1.3129284378881605
Energy: 1.26014541755434
Energy: 1.3793108076811107
Energy: 1.495267904769279
Energy: 1.3793108076811107
Energy: 1.2736585130707074
Energy: 1.3514127289707831
Energy: 1.3281610386719682
Energy: 1.3514127289734676
Energy: 1.4811603124961756
Energy: 1.3248092222404289
Energy: 1.3157362668258354
Energy: 1.3248092222404289
Energy: 1.5209350977679315
Energy: 1.298217627699804
Energy: 1.484255130182605
Energy: 1.2982176277051738
Energy: 1.5288477436837227
Energy: 1.359177872208708
Energy: 1.5364934787511373
Energy: 1.359177872208708
Energy: 1.5273326777164946
Energy: 1.2992997068854801
Energy: 1.3299756934765532
Energy: 1.2992997068626586
Energy: 1.2966002902805451
Energy: 1.3515264817215022
Energy: 1.2846494188596467
Energy: 1.35152648172016
Energy: 1.2733403299694108
Energy: 1.3145487567411505
Energy: 1.5200628956366062
Energy: 1.3145487567411505
Energy: 1.43133326112191
Energy: 1.3137051970374543
Energy: 1.5269820293658878
Energy: 1.3137051970280875
Energy: 1.4253679562593649
Energy: 1.2694236893142854
Energy: 1.2543341457432269
Energy: 1.2694236891894997

minimum gb energy = 1.2245165057954523 eV
minimum distance =  2.29997486516962 Angstroms
sigma value = 53


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

Energy: 1.2551285197548536
Energy: 1.276923750328695
Energy: 1.9460207724096483
Energy: 1.2769237503277822
Energy: 1.3845268976410983
Energy: 1.2688765873041996
Energy: 1.37645528561277
Energy: 1.268876587305745
Energy: 1.7410542837927308
Energy: 1.3360791306017292
Energy: 1.3369111055980434
Energy: 1.3360791306035906
Energy: 1.3370723690691262
Energy: 1.334388278644192
Energy: 1.723746401734383
Energy: 1.3343882786447894
Energy: 1.3144662203944937
Energy: 1.270677377102192
Energy: 1.3847966100705393
Energy: 1.2706773771340103
Energy: 1.9460207715536788
Energy: 1.2769237503280981
Energy: 1.2551285197548536
Energy: 1.276923750328695
Energy: 1.37645528561277
Energy: 1.2688765872810208
Energy: 1.3845268976408174
Energy: 1.2688765872859726
Energy: 1.3369111055977272
Energy: 1.3360791306073132
Energy: 1.7410542837927308
Energy: 1.336079130600184
Energy: 1.7237464017368413
Energy: 1.3343882786463344
Energy: 1.3370723690694073
Energy: 1.3343882786444732
Energy: 1.3847966100702584
Energy: 1.2706773771751003
Energy: 1.314466220396039
Energy: 1.2706773771923792
Energy: 1.2551285197545377
Energy: 1.276923750328695
Energy: 1.9460207709333617
Energy: 1.2769237503290112
Energy: 1.3845268976410983
Energy: 1.268876587276104
Energy: 1.376455285612454
Energy: 1.268876587270836
Energy: 1.7410542837930116
Energy: 1.336079130606681
Energy: 1.3369111055986402
Energy: 1.3360791306060493

minimum gb energy = 1.2551285197545377 eV
minimum distance =  2.31763043083594 Angstroms
sigma value = 9


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

Energy: 1.4798767138320168
Energy: 1.4898426678098329
Energy: 1.999721858456354
Energy: 1.489842667801826
Energy: 1.6739105524739184
Energy: 1.4160837336168701
Energy: 1.4648301618737471
Energy: 1.4160837336168701
Energy: 1.4690248470200322
Energy: 1.3279518786038096
Energy: 1.2978192943820486
Energy: 1.3279518786049533
Energy: 1.3056653768150384
Energy: 1.3907315890288396
Energy: 1.5351641236063513
Energy: 1.390731589026552
Energy: 1.3897717030900456
Energy: 1.377608241123299
Energy: 1.7026522010144596
Energy: 1.377608241123299
Energy: 1.6259501025519592
Energy: 1.3998569194596737
Energy: 1.4794424032089437
Energy: 1.3998569194608175
Energy: 1.474749129246516
Energy: 1.4070468970325747
Energy: 1.6757620632088557
Energy: 1.4070468970337184
Energy: 1.2885329901752551
Energy: 1.3801839759303094
Energy: 1.493267078431615
Energy: 1.3801839759291656
Energy: 1.4712168987629584
Energy: 1.4050441422605229
Energy: 1.328132753902743
Energy: 1.4050441422605229
Energy: 1.5355513061781847
Energy: 1.3759179483193062
Energy: 1.388465484754294
Energy: 1.37591794832045
Energy: 1.317787315956789
Energy: 1.4134703404015219
Energy: 1.6573552180332123
Energy: 1.4134703404015219
Energy: 1.715485102656838
Energy: 1.384481025494519
Energy: 1.4669470072676571
Energy: 1.3844810254933753
Energy: 1.4544918268951947
Energy: 1.3613486084683428
Energy: 1.3471252005456038
Energy: 1.3613486084683428
Energy: 1.4180079278753548
Energy: 1.4607839049379638
Energy: 1.6073540709005003
Energy: 1.4607839049379638
Energy: 1.3603693696088874
Energy: 1.3724796043369694
Energy: 1.4413532191031977
Energy: 1.3724796043369694
Energy: 1.644507664637485
Energy: 1.3580379001476244
Energy: 1.3552101867007569
Energy: 1.3580379001487681
Energy: 1.517299447619628
Energy: 1.35430729783594
Energy: 1.6749549635036518
Energy: 1.3543072978199262
Energy: 1.3200430429099839
Energy: 1.3921310178812536
Energy: 1.4030396996469747
Energy: 1.3921310178812536
Energy: 1.7422685404097726
Energy: 1.4364345096867255
Energy: 1.3928850420160896
Energy: 1.4364345096878695
Energy: 1.4200645203651197
Energy: 1.3712928872356445
Energy: 1.331902201225673
Energy: 1.3712928872367884
Energy: 1.380896038151002
Energy: 1.3814762681728276
Energy: 1.6753200613020254
Energy: 1.3814762681728276
Energy: 1.5857538658650323
Energy: 1.3565404871577478
Energy: 1.5229368579001161
Energy: 1.3565404871577478
Energy: 1.4514383362297547
Energy: 1.385472765710615
Energy: 1.4628660053827245
Energy: 1.3854727657094712
Energy: 1.4775624424659124
Energy: 1.4125440614752824
Energy: 1.649769745105625
Energy: 1.4125440614775702
Energy: 1.3641306992905287
Energy: 1.3723619240451925
Energy: 1.3644381310677212
Energy: 1.3723619240463363
Energy: 1.664229592463664
Energy: 1.3934198740399253
Energy: 1.3926591600127334
Energy: 1.393419874043357
Energy: 1.5814311894902335
Energy: 1.3526963555834024
Energy: 1.602776442735512
Energy: 1.3526963555936975
Energy: 1.4548284893945027
Energy: 1.3549563069404198
Energy: 1.6059250939008904
Energy: 1.3549563069404198
Energy: 1.781660460075351
Energy: 1.4262849970688105
Energy: 1.3922728921066856
Energy: 1.4262849970688105
Energy: 1.4294423105543186
Energy: 1.3733868744440736
Energy: 1.37362166397879
Energy: 1.3733868744440736
Energy: 1.469654014468886
Energy: 1.4117123475989797
Energy: 1.7299660051690078
Energy: 1.4117123475989797
Energy: 1.4511140609004984
Energy: 1.3697037020982554
Energy: 1.4726377135438813
Energy: 1.3697037020971115
Energy: 1.6765166074672089
Energy: 1.3570886427100424
Energy: 1.4756464841658143
Energy: 1.3570886427100424
Energy: 1.362317656364356
Energy: 1.366062861886092
Energy: 1.6735315288083263
Energy: 1.3660628618780848
Energy: 1.4119560350338045
Energy: 1.36183220297475
Energy: 1.336124344109379
Energy: 1.3618322029758418

minimum gb energy = 1.2885329901752551 eV
minimum distance =  2.27367834160103 Angstroms
sigma value = 73


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

Energy: 1.5497245127665211
Energy: 1.3998573525067808
Energy: 2.1787487331205666
Energy: 1.3998573525067808
Energy: 1.5336917592181316
Energy: 1.353342135082001
Energy: 1.3935524416519935
Energy: 1.3533421350821868
Energy: 1.3171261378156502
Energy: 1.4132710179624979
Energy: 1.275129629435514
Energy: 1.4132710179626837
Energy: 1.3166238406428579
Energy: 1.368646742883623
Energy: 1.557581328700482
Energy: 1.3686467428845306
Energy: 1.4709230948448853
Energy: 1.3472349293717163
Energy: 1.581280584635321
Energy: 1.347234929371345
Energy: 1.8534877485598298
Energy: 1.4200470969157555
Energy: 1.2929114106908557
Energy: 1.4200470969159409
Energy: 1.3978096218915408
Energy: 1.4211955521914077
Energy: 1.557623193979886
Energy: 1.4211955521919437
Energy: 1.3123894550586206
Energy: 1.3632252448490925
Energy: 1.541318296797438
Energy: 1.3632252448498143
Energy: 1.612681354620815
Energy: 1.4300987744517528
Energy: 1.4005253792799648
Energy: 1.4300987744515878
Energy: 1.4062221620152608
Energy: 1.4263418159476424
Energy: 1.3925774955539432
Energy: 1.4263418159476424
Energy: 1.3101829772013747
Energy: 1.3500737970602283
Energy: 1.7446313627239312
Energy: 1.350073797060043
Energy: 1.6407642343324724
Energy: 1.3430050828379159
Energy: 1.5505291818353888
Energy: 1.3430050828377302
Energy: 1.4659356565238415
Energy: 1.4109884156314911
Energy: 1.2913490921299053
Energy: 1.4109884156314911
Energy: 1.425078796225065
Energy: 1.5044300415490992
Energy: 1.8941150408541638
Energy: 1.5044300415489136
Energy: 1.316387119731563
Energy: 1.356682489445189
Energy: 1.4200968407126366
Energy: 1.3566824894446323
Energy: 1.5004630439297493
Energy: 1.4091724656404692
Energy: 1.3619682023147868
Energy: 1.4091724656400981
Energy: 1.531296096614971
Energy: 1.3355849448498787
Energy: 1.7017610045494431
Energy: 1.3355849448747292
Energy: 1.5218044811262017
Energy: 1.365302522490684
Energy: 1.7019293780401883
Energy: 1.3653025224899622
Energy: 1.750441491887815
Energy: 1.4388374194818496
Energy: 1.4781413054234303
Energy: 1.4388374194816846
Energy: 1.3167499017257414
Energy: 1.3568058611678464
Energy: 1.275444236524486
Energy: 1.3568058611682177
Energy: 1.467713956297663
Energy: 1.4532509126102446
Energy: 1.9189750349628056
Energy: 1.4532509116406576
Energy: 1.4633349755956568
Energy: 1.360161990429387
Energy: 1.2912995354616474
Energy: 1.3601619904290156

minimum gb energy = 1.275129629435514 eV
minimum distance =  2.27585499306112 Angstroms
sigma value = 7


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

Energy: 1.9320271003528715
Energy: 1.3587083637202357
Energy: 1.9163532822246832
Energy: 1.3587083562510787
Energy: 1.6691595803483747
Energy: 1.4457104118185937
Energy: 1.418652187136532
Energy: 1.44571041128627
Energy: 1.389376842308282
Energy: 1.4185238545158358
Energy: 1.4142736144284576
Energy: 1.418523854517119
Energy: 1.3403092357517512
Energy: 1.322103499908676
Energy: 1.4314104655000717
Energy: 1.3221034999099595
Energy: 1.408589171319931
Energy: 1.4333126762277115
Energy: 1.3590583074045364
Energy: 1.4333126762289945
Energy: 1.7461530321796441
Energy: 1.3646415561865148
Energy: 1.359241710842074
Energy: 1.3646415561865148
Energy: 1.387815978046868
Energy: 1.467532631575189
Energy: 1.6954129706264436
Energy: 1.467532631575189
Energy: 1.3591027189634908
Energy: 1.3624009637559524
Energy: 1.4451491324595305
Energy: 1.3624009637559524
Energy: 1.7601767638906292
Energy: 1.4393691493711145
Energy: 1.422215684030867
Energy: 1.4393691493711145
Energy: 1.4385534419673014
Energy: 1.348853725353588
Energy: 1.3319825935498957
Energy: 1.348853725353588
Energy: 1.4287181090250578
Energy: 1.3939456671104247
Energy: 1.572450497013665
Energy: 1.3939456671117076
Energy: 1.6790392313046953
Energy: 1.3423006923174632
Energy: 1.578524128405818
Energy: 1.34230069231618
Energy: 1.701418923626402
Energy: 1.383506536507235
Energy: 1.5607110163069011
Energy: 1.3835065365059516
Energy: 1.5362115407235861
Energy: 1.4542825046633685
Energy: 1.7659229214839849
Energy: 1.454282504664652
Energy: 1.3988417273394247
Energy: 1.33626779832733
Energy: 1.3229388851148667
Energy: 1.3362677983260465
Energy: 1.8185529437624746
Energy: 1.4748026795611646
Energy: 1.411768566923672
Energy: 1.4748026795611646
Energy: 1.3604890897846778
Energy: 1.3552639724314093
Energy: 1.4396873620927118
Energy: 1.3552639724314093
Energy: 1.3813577933518884
Energy: 1.3920403027382817
Energy: 1.7103605954237804
Energy: 1.3920403027369985
Energy: 1.7488496654187782
Energy: 1.3742389499040952
Energy: 1.3882647272182733
Energy: 1.3742389499066618
Energy: 1.4105064926656194
Energy: 1.4001951908794543
Energy: 1.40448050025635
Energy: 1.4001951908820207
Energy: 1.3225566316132766
Energy: 1.4499626247921398
Energy: 1.5857665578033369
Energy: 1.4499626247908568
Energy: 1.3211288715445109
Energy: 1.403391759056302
Energy: 1.42913442341337
Energy: 1.403391759056302
Energy: 1.6874567970951198
Energy: 1.3903818033452986
Energy: 1.4817637904624925
Energy: 1.3903818033452986
Energy: 1.8500484002053295
Energy: 1.399423547562824
Energy: 1.8994206187035132
Energy: 1.39942354792841
Energy: 1.6681162502056115
Energy: 1.3570385435569619
Energy: 1.408677246337341
Energy: 1.3570385436134258
Energy: 1.594346247136413
Energy: 1.409465665630327
Energy: 1.3990920609833213
Energy: 1.4094656656290436
Energy: 1.3231997326007414
Energy: 1.325473210415382
Energy: 1.482619634896917
Energy: 1.3254732104128155
Energy: 1.4104275472075203
Energy: 1.3691706797694017
Energy: 1.728092173176384
Energy: 1.3691706798232992
Energy: 1.4064570602919044
Energy: 1.3526658998042058
Energy: 1.3761256295971092
Energy: 1.3526658998042058
Energy: 1.6781119561851585
Energy: 1.371406627434142
Energy: 1.6757769560107627
Energy: 1.371406627434142
Energy: 1.3754802296450126
Energy: 1.3685732834069706
Energy: 1.5941057599057498
Energy: 1.3685732834069706

minimum gb energy = 1.3211288715445109 eV
minimum distance =  2.28157477288819 Angstroms
sigma value = 29


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

Energy: 1.1546945382877238
Energy: 1.2795588058079768
Energy: 1.7978418927498685
Energy: 1.2795588058079768
Energy: 1.6544996930060747
Energy: 1.2338662205800521
Energy: 1.274023593163525
Energy: 1.2338662205307085
Energy: 1.8298619936287344
Energy: 1.2026468671301067
Energy: 1.2120797110844495
Energy: 1.2026468671301067
Energy: 1.6835067447433874
Energy: 1.2801312407959162
Energy: 1.2111584232056856
Energy: 1.2801312407959162
Energy: 1.7185712086429035
Energy: 1.2684359646001973
Energy: 1.2986905817658372
Energy: 1.2684359645813985
Energy: 1.552293065168586
Energy: 1.315413878796927
Energy: 1.2107605906148593
Energy: 1.315413878796927
Energy: 1.373368655208035
Energy: 1.2391145902788312
Energy: 1.553563249399525
Energy: 1.2391145902783842
Energy: 1.1535062278140942
Energy: 1.26605412435194
Energy: 2.0596042859262043
Energy: 1.2660541242235022
Energy: 1.677459781357531
Energy: 1.3350172865328003
Energy: 1.3457431123113999
Energy: 1.3350172865328003

minimum gb energy = 1.1535062278140942 eV
minimum distance =  2.32090327613851 Angstroms
sigma value = 5


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

Energy: 1.554691763540912
Energy: 1.3043947639606257
Energy: 2.060273121880274
Energy: 1.3043947639606257
Energy: 1.6428604214590405
Energy: 1.2700818098755513
Energy: 1.3691692931927935
Energy: 1.2702526875069513
Energy: 1.312024753985821
Energy: 1.3133184549433268
Energy: 1.4060980048793381
Energy: 1.3133184549433268
Energy: 1.3121825733529853
Energy: 1.3549304845451748
Energy: 1.4366543024676548
Energy: 1.3549304845451748
Energy: 1.244427613957586
Energy: 1.301139969428517
Energy: 1.296963103740793
Energy: 1.3011399694297292
Energy: 1.3877916281570526
Energy: 1.3303123125666672
Energy: 1.3212000279119693
Energy: 1.3303123125666672
Energy: 1.393728793585854
Energy: 1.2960586572394353
Energy: 1.4289330247723881
Energy: 1.2960586572418598
Energy: 1.3963491138589683
Energy: 1.302870724771814
Energy: 1.6077263460423548
Energy: 1.302870724771814
Energy: 1.60102683941913
Energy: 1.2748625614450944
Energy: 1.3866312288258587
Energy: 1.2748625606805248
Energy: 1.5209121515613757
Energy: 1.2752989905131602
Energy: 1.3894534786996378
Energy: 1.2752989905131602
Energy: 1.3221790923878118
Energy: 1.306355878928189
Energy: 1.4229757675629946
Energy: 1.306355878926977
Energy: 1.3154359156210922
Energy: 1.3065307653081386
Energy: 1.2734919299034877
Energy: 1.3065307653081386
Energy: 1.473835600823249
Energy: 1.506805511490524
Energy: 1.3755287753333902
Energy: 1.506805511490524
Energy: 1.2865621305757413
Energy: 1.2933099008481992
Energy: 1.2722055307648708
Energy: 1.2933099008469868
Energy: 1.3968876611801087
Energy: 1.4173387736947771
Energy: 1.5172621206739187
Energy: 1.4173387736923526
Energy: 1.6242322325370073
Energy: 1.311405772103431
Energy: 1.480044615764151
Energy: 1.3114057721022185
Energy: 1.5830055531619407
Energy: 1.4083156406481647
Energy: 1.5357215028395448
Energy: 1.4083156406481647
Energy: 1.378100926855087
Energy: 1.2984046639260012
Energy: 1.574097769576167
Energy: 1.2984046639260012
Energy: 1.4082809993082133
Energy: 1.3424309058805144
Energy: 1.348032375957872
Energy: 1.3424309058817265
Energy: 1.3311462625211057
Energy: 1.3172866549185833
Energy: 1.342288453196725
Energy: 1.3172866549185833
Energy: 1.3158892630431955
Energy: 1.3516110958864784
Energy: 1.3451996227849077
Energy: 1.3516110958864784
Energy: 1.362821943235855
Energy: 1.3149719616143691
Energy: 1.299349273802441
Energy: 1.3149719616143691
Energy: 1.3806678148933893
Energy: 1.305564541732316
Energy: 1.3003918528334288
Energy: 1.3055645417335284
Energy: 1.5247475263501094
Energy: 1.2713234026940297
Energy: 1.7315272711963634
Energy: 1.2713234025086728
Energy: 1.5215176018657377
Energy: 1.279169876561769
Energy: 1.7279333983026213
Energy: 1.2791698765120687
Energy: 1.4146103739360194
Energy: 1.3209487490762282
Energy: 1.3092480474613086
Energy: 1.3209487490774408
Energy: 1.3522012992131829
Energy: 1.3043558418337475
Energy: 1.3004506728171104
Energy: 1.3043558418337475
Energy: 1.367772420604276
Energy: 1.3812597316848814
Energy: 1.4940843661492633
Energy: 1.3812597316788202
Energy: 1.308663177990797
Energy: 1.3043420126707677
Energy: 1.3258457880573555
Energy: 1.3043420126719798
Energy: 1.5225268219826906
Energy: 1.4026134966900172
Energy: 1.420681460067224
Energy: 1.4026134966863806
Energy: 1.3426694334041605
Energy: 1.296816493894847
Energy: 1.42646726908728
Energy: 1.2968164938960591
Energy: 1.4165248918887559
Energy: 1.2637100190814683
Energy: 1.6654959355019374
Energy: 1.2637100190875292
Energy: 1.7538471056034355
Energy: 1.2969337270904882
Energy: 1.3851148835887626
Energy: 1.2969337270917003

minimum gb energy = 1.244427613957586 eV
minimum distance =  2.28007704243728 Angstroms
sigma value = 1


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

Energy: 1.619277436484356
Energy: 1.2529502314625514
Energy: 1.9672979484956177
Energy: 1.2529502314625514
Energy: 1.564787475908456
Energy: 1.2348931492001343
Energy: 1.4109426012360489
Energy: 1.2348931491749933
Energy: 1.38152576738059
Energy: 1.2846292321654158
Energy: 1.6883180238115547
Energy: 1.2846292321654158
Energy: 1.316525364388421
Energy: 1.2962012867695702
Energy: 1.4096322727772943
Energy: 1.2962012867695702
Energy: 1.2816977340405735
Energy: 1.2180246268886732
Energy: 1.2537663213565537
Energy: 1.2180246268886732
Energy: 1.3293081120346106
Energy: 1.3174889448938882
Energy: 1.2774267714588348
Energy: 1.3174889448938882
Energy: 1.411058192188385
Energy: 1.2879913804524044
Energy: 1.4148461509563317
Energy: 1.2879913804524044
Energy: 1.4106627048714309
Energy: 1.2779386378323834
Energy: 1.4731189593712295
Energy: 1.2779386378323834
Energy: 1.3912048764598524
Energy: 1.2199439687217097
Energy: 1.2535775859630713
Energy: 1.2199439687217097
Energy: 1.3912048764598524
Energy: 1.2164495632978993
Energy: 1.2538286881566507
Energy: 1.2164495632962233
Energy: 1.46362290931491
Energy: 1.2924731583510423
Energy: 1.4731189593712295
Energy: 1.2924731583510423
Energy: 1.4105069961415992
Energy: 1.2686812806990884
Energy: 1.4148461509546555
Energy: 1.2686812806974124
Energy: 1.2530146053988538
Energy: 1.3038565616851658
Energy: 1.2783868520255965
Energy: 1.3038565616851658
Energy: 1.2817901915562997
Energy: 1.2215058518398259
Energy: 1.2536299311647245
Energy: 1.2215058518398259
Energy: 1.2691474184302485
Energy: 1.304027988427666
Energy: 1.4675311483909526
Energy: 1.304027988429342
Energy: 1.381525767378914
Energy: 1.28474743171513
Energy: 1.6863282844751235
Energy: 1.2847474317134537
Energy: 1.5388118093221694
Energy: 1.3157228871084314
Energy: 1.3580568373976858
Energy: 1.3157228870899946
Energy: 1.6192774364860323
Energy: 1.2529502314625514
Energy: 1.967297946587448
Energy: 1.2529502314625514
Energy: 1.564787475908456
Energy: 1.234893149171641
Energy: 1.4109426012377246
Energy: 1.2348931492051625
Energy: 1.381525767378914
Energy: 1.2846292321654158
Energy: 1.6883180238115547
Energy: 1.2846292321654158
Energy: 1.316525364388421
Energy: 1.2962012867695702
Energy: 1.4096322727822845
Energy: 1.2962012867695702
Energy: 1.2816977340405735
Energy: 1.2180246268886732
Energy: 1.2537663213565537
Energy: 1.2180246268886732
Energy: 1.3293081120346106
Energy: 1.3174889448955642
Energy: 1.2774267714588348
Energy: 1.3174889448938882
Energy: 1.411058192188385
Energy: 1.2879913804524044
Energy: 1.4148461509546555
Energy: 1.2879913804524044

minimum gb energy = 1.2164495632962233 eV
minimum distance =  2.26306229584773 Angstroms
sigma value = 17


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

Energy: 1.4754803258600868
Energy: 1.262934109016317
Energy: 1.9632687150372352
Energy: 1.262934109017353
Energy: 1.518312094608864
Energy: 1.2942060542673137
Energy: 1.4486121135569294
Energy: 1.2942060542745655
Energy: 1.279663462323818
Energy: 1.2394239161571665
Energy: 1.284288620269085
Energy: 1.2394239161571665
Energy: 1.3783089719698522
Energy: 1.403329438353751
Energy: 1.436884733361497
Energy: 1.4033294383516788
Energy: 1.3444374503659653
Energy: 1.2479537939419914
Energy: 1.2832413541926506
Energy: 1.2479537939419914
Energy: 1.353710630658616
Energy: 1.3137633933306663
Energy: 1.297287975184688
Energy: 1.3137633933317021
Energy: 1.2753327364096563
Energy: 1.2614518973273332
Energy: 1.2515958250063015
Energy: 1.2614518973273332
Energy: 1.3059965649566878
Energy: 1.2610213644578085
Energy: 1.335678625230839
Energy: 1.2610213644567727
Energy: 1.4370944666837029
Energy: 1.2466403587497115
Energy: 1.4453880185286476
Energy: 1.2466403587517831
Energy: 1.4946016373196682
Energy: 1.249362580381945
Energy: 1.444818293300636
Energy: 1.249362580384017
Energy: 1.334384996938715
Energy: 1.2496413622361167
Energy: 1.2897316666180336
Energy: 1.2496413622423321
Energy: 1.3314803211665085
Energy: 1.253744359922085
Energy: 1.3435648755950265
Energy: 1.253744359923121
Energy: 1.3125750482239575
Energy: 1.2612000112299304
Energy: 1.2893853660288521
Energy: 1.2612000112278585
Energy: 1.2643536433467992
Energy: 1.2474372710197383
Energy: 1.2885108419640454
Energy: 1.2474372710187025
Energy: 1.2638796548507267
Energy: 1.283425552160376
Energy: 1.309196439416454
Energy: 1.283425552160376
Energy: 1.2672569238586924
Energy: 1.2519255338134383
Energy: 1.3387422567547396
Energy: 1.2519255338134383
Energy: 1.4399222296145657
Energy: 1.265361062280634
Energy: 1.3855269666806902
Energy: 1.2653610623810736
Energy: 1.328699615780128
Energy: 1.2383471766015945
Energy: 1.5078738845098885
Energy: 1.2383471766026304
Energy: 1.4532546257135184
Energy: 1.4002549786286067
Energy: 1.4659609472377249
Energy: 1.4002549786400023
Energy: 1.6252040987587355
Energy: 1.2570328811572387
Energy: 1.5689855857089257
Energy: 1.2570328811603466
Energy: 1.3748694490423534
Energy: 1.389265080494917
Energy: 1.5250783301847075
Energy: 1.389265080492845
Energy: 1.4091722978827828
Energy: 1.2374407920212742
Energy: 1.2587195030299057
Energy: 1.237440792023346
Energy: 1.3732677294115316
Energy: 1.3837689267515463
Energy: 1.3814798129441943
Energy: 1.3837689267494742
Energy: 1.2613790614345985
Energy: 1.2600939036904397
Energy: 1.2714720246429436
Energy: 1.2600939036925116
Energy: 1.2990257569481656
Energy: 1.2961739233008072
Energy: 1.3422446370948198
Energy: 1.296173923299771
Energy: 1.2811142722515572
Energy: 1.246102636378013
Energy: 1.2726110563476067
Energy: 1.246102636376977
Energy: 1.352872384045009
Energy: 1.2613440170153885
Energy: 1.3353794617112784
Energy: 1.2613440170143524
Energy: 1.437800235789215
Energy: 1.2526031966207185
Energy: 1.5523649725214654
Energy: 1.2526031966207185
Energy: 1.4387573800429987
Energy: 1.2399216022674233
Energy: 1.5854516498227238
Energy: 1.239921602480734
Energy: 1.2796190783261328
Energy: 1.2517478947841312
Energy: 1.2722947420591184
Energy: 1.2517478947830953
Energy: 1.2828534488813117
Energy: 1.2517966388175623
Energy: 1.3354951147281922
Energy: 1.2517966388175623
Energy: 1.2612444837886037
Energy: 1.2809160740920338
Energy: 1.2929074525622941
Energy: 1.2809160740920338
Energy: 1.2768168443246262
Energy: 1.2608240287455938
Energy: 1.241106221819118
Energy: 1.26082402874663
Energy: 1.3750111641448552
Energy: 1.2743050289077331
Energy: 1.3253589602578815
Energy: 1.2743050289087692
Energy: 1.3533429512236879
Energy: 1.2381655742330377
Energy: 1.3082590716485851
Energy: 1.2381655742340736
Energy: 1.3916139309676412
Energy: 1.2481864070821767
Energy: 1.4364138000503506
Energy: 1.2481864119613877
Energy: 1.6838072479183888
Energy: 1.256407939632332
Energy: 1.3309206785185437
Energy: 1.2564079396333678
Energy: 1.4307133484038665
Energy: 1.2391435110627793
Energy: 1.5106925715783561
Energy: 1.2391435108898707

minimum gb energy = 1.2374407920212742 eV
minimum distance =  2.28224771775406 Angstroms
sigma value = 89


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

Energy: 1.3695038191371423
Energy: 1.1559488536240279
Energy: 1.6364179763701077
Energy: 1.155948853622919
Energy: 1.3322561568984517
Energy: 1.1950987087320328
Energy: 1.4021211692429651
Energy: 1.1950987087339118
Energy: 1.3724387224187495
Energy: 1.1475838510210223
Energy: 1.281612116121187
Energy: 1.147583851020745
Energy: 1.2377870987849955
Energy: 1.2165634962730891
Energy: 1.404769628091626
Energy: 1.2165634962736436
Energy: 1.343346733124742
Energy: 1.20797215916828
Energy: 1.216719204835189
Energy: 1.20797215916828
Energy: 1.2301688818303347
Energy: 1.377541571080623
Energy: 1.3126731557121194
Energy: 1.377541571080623
Energy: 1.2274683517802558
Energy: 1.16009130110425
Energy: 1.216422901209594
Energy: 1.1600913011039728
Energy: 1.2625201119606373
Energy: 1.2258999583859251
Energy: 1.3866725470372956
Energy: 1.2258999583853707
Energy: 1.373688169136468
Energy: 1.2125118019170054
Energy: 1.1708818843706224
Energy: 1.2125118019170054
Energy: 1.3568904101081902
Energy: 1.2022045393720668
Energy: 1.2566278194094986
Energy: 1.2022045393720668
Energy: 1.3137913969884143
Energy: 1.1551629840075455
Energy: 1.3866005618646404
Energy: 1.1551629840078226
Energy: 1.3137085712829017
Energy: 1.1551789658834153
Energy: 1.3865953345900754
Energy: 1.1551789660695515
Energy: 1.3731023585474542
Energy: 1.2123236058495863
Energy: 1.170648559858277
Energy: 1.2123236058490319
Energy: 1.372107532676351
Energy: 1.2087871054581434
Energy: 1.1689223172126937
Energy: 1.208787105458421
Energy: 1.2264028824365678
Energy: 1.2139334243235091
Energy: 1.2929966547871081
Energy: 1.213933424323232

minimum gb energy = 1.147583851020745 eV
minimum distance =  2.28698476619922 Angstroms
sigma value = 13


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

Energy: 1.2408252341052513
Energy: 1.1213858271919763
Energy: 1.5569537581969037
Energy: 1.1213858271908401
Energy: 1.3267795322725353
Energy: 1.2192690020872665
Energy: 1.2624478311334608
Energy: 1.2192690021327106
Energy: 1.2613297082740977
Energy: 1.1038742760133156
Energy: 1.4656163810397012
Energy: 1.1038742760121796
Energy: 1.217747721569697
Energy: 1.172119791180577
Energy: 1.262329092768484
Energy: 1.1721197915927744
Energy: 1.1535854169410271
Energy: 1.1278837955058443
Energy: 1.1835784718468554
Energy: 1.1278837955058443
Energy: 1.283607816537903
Energy: 1.1356136656952236
Energy: 1.2764887070960862
Energy: 1.1356136656940876
Energy: 1.1727058158282957
Energy: 1.1068072353452134
Energy: 1.2643683818346227
Energy: 1.1068072353452134
Energy: 1.2388613533029686
Energy: 1.1887424071343637
Energy: 1.177683662296107
Energy: 1.1887424071389083
Energy: 1.1807205570847334
Energy: 1.1305779429232463
Energy: 1.1492908189117779
Energy: 1.1305779429232463
Energy: 1.3484414522738122
Energy: 1.1325202236104157
Energy: 1.2467392075653725
Energy: 1.1325202236092797
Energy: 1.2111270891104886
Energy: 1.1065382140377773
Energy: 1.2554646788979018
Energy: 1.1065382140377773
Energy: 1.2144018716666702
Energy: 1.1029646061032607
Energy: 1.1712725265572546
Energy: 1.1029646061078053
Energy: 1.2569943724128685
Energy: 1.1176397337843296
Energy: 1.2190299625544418
Energy: 1.1176397337843296
Energy: 1.2518117437425769
Energy: 1.1411006012234195
Energy: 1.3507874842618923
Energy: 1.1411006012234195
Energy: 1.2135743211380854
Energy: 1.1068216881144373
Energy: 1.2542511557629459
Energy: 1.1068216881144373
Energy: 1.2160700231653234
Energy: 1.1038028702193516
Energy: 1.261345700942642
Energy: 1.1038028702216238
Energy: 1.2588017955998918
Energy: 1.1346035105750638
Energy: 1.1489002527612728
Energy: 1.1346035105750638
Energy: 1.186929875582541
Energy: 1.1346951278228987
Energy: 1.2417747747840053
Energy: 1.1346951278228987
Energy: 1.17237541374876
Energy: 1.1131843170410434
Energy: 1.1825820008436072
Energy: 1.1131843170399074
Energy: 1.1826780049891195
Energy: 1.1085279572090958
Energy: 1.1723288996417565
Energy: 1.1085279572090958
Energy: 1.2419336983029445
Energy: 1.1344396679132234
Energy: 1.1839608682588654
Energy: 1.1344396679143594
Energy: 1.1500821835885897
Energy: 1.1325008495088724
Energy: 1.258801795601028
Energy: 1.1325008495088724
Energy: 1.2613457009437783
Energy: 1.1025241017609082
Energy: 1.2139450205501623
Energy: 1.1025241017620442
Energy: 1.2542511557629459
Energy: 1.10627425010123
Energy: 1.2109749043250988
Energy: 1.10627425010123
Energy: 1.35273329003141
Energy: 1.1286194242145933
Energy: 1.2517305071076668
Energy: 1.1286194242157292
Energy: 1.218885510822509
Energy: 1.1177001914644082
Energy: 1.2569943724151407
Energy: 1.1177001914644082
Energy: 1.204440271686475
Energy: 1.1032300281388583
Energy: 1.2160459499173257
Energy: 1.1032300281411305
Energy: 1.255464678900174
Energy: 1.1058626967312704
Energy: 1.2106105057806098
Energy: 1.1058626967312704
Energy: 1.241082988402967
Energy: 1.134520835570962
Energy: 1.3486777554154785
Energy: 1.1345208355720977
Energy: 1.1493576506064607
Energy: 1.1307075912802522
Energy: 1.1807813130707614
Energy: 1.1307075912802522
Energy: 1.2114733733070913
Energy: 1.163412645474577
Energy: 1.2200675400827417
Energy: 1.1634126454734408
Energy: 1.2677450155111991
Energy: 1.105079787248435
Energy: 1.1727328557753929
Energy: 1.1050797872495712
Energy: 1.2232183428617187
Energy: 1.1354273180927599
Energy: 1.2835326080699807
Energy: 1.1354273180927599
Energy: 1.1872299279243377
Energy: 1.1278696711313276
Energy: 1.1535210406621257
Energy: 1.1278696711313276
Energy: 1.2627215042898425
Energy: 1.1285795485254488
Energy: 1.29350963149941
Energy: 1.1285795487219423

minimum gb energy = 1.1025241017609082 eV
minimum distance =  2.29737211128019 Angstroms
sigma value = 37


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

Energy: 1.6717589288493848
Energy: 1.0505213189961335
Energy: 1.5515600950811115
Energy: 1.0505213189961335
Energy: 1.2613297188690622
Energy: 1.1619551941671646
Energy: 1.1913907723437318
Energy: 1.1619551941732282
Energy: 1.2579050998450465
Energy: 1.0319361183705997
Energy: 1.1879230559275513
Energy: 1.0319361183705997
Energy: 1.249147300109948
Energy: 1.0700545641989532
Energy: 1.1910040563517732
Energy: 1.0700545641989532
Energy: 1.3324596750105235
Energy: 1.030946045963076
Energy: 1.2444352828922283
Energy: 1.030946045963076
Energy: 1.230591067036112
Energy: 1.0693037249304977
Energy: 1.1977862778745534
Energy: 1.06930372493032
Energy: 1.1366911586485056
Energy: 1.030777031613405
Energy: 1.231442910909872
Energy: 1.030777031613405
Energy: 1.189857645988036
Energy: 1.1706687649480636
Energy: 1.2119189063188802
Energy: 1.1706687649482634
Energy: 1.1924088320152848
Energy: 1.0325070519520065
Energy: 1.163242936146015
Energy: 1.0325070519520065
Energy: 1.2298415110354501
Energy: 1.0706115809916281
Energy: 1.1843940300575713
Energy: 1.0706115809904508
Energy: 1.1209118553341137
Energy: 1.0339113194794738
Energy: 1.2238788787171195
Energy: 1.0339113194794738
Energy: 1.133545820550412
Energy: 1.0682735453447845
Energy: 1.251702796764941
Energy: 1.0682735453447845
Energy: 1.2512001804174642
Energy: 1.0311130858936444
Energy: 1.1849715116066148
Energy: 1.0311130858930446
Energy: 1.2309245536385787
Energy: 1.0239599547431357
Energy: 1.189930605524704
Energy: 1.0239599547437133
Energy: 1.1952362641889278
Energy: 1.055214583509931
Energy: 1.242853127205199
Energy: 1.0552145835095312
Energy: 1.1978660405520067
Energy: 1.061967901426878
Energy: 1.3070716864633107
Energy: 1.0619679014263002
Energy: 1.251482278074418
Energy: 1.0301402935797508
Energy: 1.185158043338458
Energy: 1.0301402935797508
Energy: 1.179673479549382
Energy: 1.0280936731728216
Energy: 1.1889887754986952
Energy: 1.0280936731726218
Energy: 1.1202320115402606
Energy: 1.0354717305926429
Energy: 1.2428690241551257
Energy: 1.035471730592843
Energy: 1.1232683440939975
Energy: 1.0712682395596347
Energy: 1.2441269266440815
Energy: 1.0712682395600344

minimum gb energy = 1.0239599547431357 eV
minimum distance =  2.29606821452664 Angstroms
sigma value = 25


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

Energy: 1.1696732322434917
Energy: 0.9592992660421633
Energy: 1.3669638686766434
Energy: 0.9592992660421633
Energy: 1.132715234467305
Energy: 1.2399420503572791
Energy: 1.125903200906946
Energy: 1.2399420503572791
Energy: 1.1176778438055206
Energy: 0.9421132946064136
Energy: 1.1405773777070192
Energy: 0.9421132946064136
Energy: 1.075342737020095
Energy: 1.131581313309078
Energy: 1.1213775103972174
Energy: 1.131581313309078
Energy: 1.2925902630008848
Energy: 0.936208312630677
Energy: 1.1264988255216526
Energy: 0.936208312630677
Energy: 1.0859161004773847
Energy: 1.0827445952797166
Energy: 1.124366410270625
Energy: 1.0827445939341087
Energy: 1.0700433058535679
Energy: 0.9361871971208573
Energy: 1.083202368225128
Energy: 0.9361871971208573
Energy: 1.0912019543203908
Energy: 0.9541602991776713
Energy: 1.1124686790494054
Energy: 0.9541602991776713
Energy: 1.1742955138720172
Energy: 0.9340937628489298
Energy: 1.0686221099833597
Energy: 0.9340937628489298
Energy: 1.106247357448732
Energy: 1.0053760788561186
Energy: 1.0936858912452583
Energy: 1.0053760788561186
Energy: 1.03989284473156
Energy: 0.9371239782515446
Energy: 1.191715946719261
Energy: 0.9371239782515446
Energy: 1.0859349856824034
Energy: 0.9545382875096764
Energy: 1.1083345137446228
Energy: 0.9545382875096764
Energy: 1.0628524931629237
Energy: 0.9354139370560909
Energy: 1.059447952488589
Energy: 0.9354139370576171
Energy: 1.1502847937021443
Energy: 0.9636681423220503
Energy: 1.0541307278927237
Energy: 0.9636681423235767
Energy: 1.062469489477636
Energy: 0.9352632319465842
Energy: 1.1313129167182765
Energy: 0.9352632319481103
Energy: 1.0944102402447706
Energy: 0.9358318708884817
Energy: 1.1144817782964773
Energy: 0.9358318707938859
Energy: 1.1148140538724722
Energy: 0.9425130747173791
Energy: 1.099835163452502
Energy: 0.9425130747189053
Energy: 1.134820058253845
Energy: 1.060256353744711
Energy: 1.0854838711232875
Energy: 1.060256353778255
Energy: 1.1307235939986484
Energy: 0.9568640547515335
Energy: 1.1093240966412292
Energy: 0.9568640547500417
Energy: 1.1502000775918455
Energy: 1.072159441313412
Energy: 1.1186491505597889
Energy: 1.0721594416490594
Energy: 1.11459884171778
Energy: 0.9409109653930405
Energy: 1.0993696929955552
Energy: 0.9409109653930405
Energy: 1.144985266350567
Energy: 0.9521676353514333
Energy: 1.0892141543176068
Energy: 0.9521676353514333
Energy: 1.062219892478067
Energy: 0.9358829506630708
Energy: 1.1086047004150348
Energy: 0.9358829506630708
Energy: 1.0985133780994234
Energy: 0.9476245283990286
Energy: 1.09616607158541
Energy: 0.9476245283990286
Energy: 1.0509311624594928
Energy: 0.9359440500167632
Energy: 1.0610297938508482
Energy: 0.9359440500167632
Energy: 1.1396938288667593
Energy: 0.9531070893593545
Energy: 1.0542172353289965
Energy: 0.9531070893578283

minimum gb energy = 0.9340937628489298 eV
minimum distance =  2.30575109734738 Angstroms
sigma value = 41


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

Energy: 1.1159926782045
Energy: 0.888558322564986
Energy: 1.218595582632997
Energy: 0.888558322564986
Energy: 1.0312259065687497
Energy: 0.9974766431437307
Energy: 1.0078415822191333
Energy: 0.997476770147231
Energy: 1.014451540268007
Energy: 0.8689278150928409
Energy: 1.0757475859308565
Energy: 0.8689278150928409
Energy: 1.030734158276718
Energy: 0.9478227041798911
Energy: 1.042014736475753
Energy: 0.9478227003112757
Energy: 1.0576537107497528
Energy: 0.8602266441433994
Energy: 1.0166005704215197
Energy: 0.8602266441433994
Energy: 1.019523311116194
Energy: 0.896889801079246
Energy: 0.9917454780642633
Energy: 0.8968898010842514
Energy: 1.020146763302083
Energy: 0.8571961395747009
Energy: 1.3829990162407368
Energy: 0.8571961395734495
Energy: 1.02529808500742
Energy: 0.8881613151626071
Energy: 1.0019200354670388
Energy: 0.8881613153576986
Energy: 1.3464469098760492
Energy: 0.8552636702717907
Energy: 1.0430239894969129
Energy: 0.8552636702730421
Energy: 1.0150959789530773
Energy: 1.3038859035873516
Energy: 1.0578904617426979
Energy: 1.3038859035861003
Energy: 1.0034047621959328
Energy: 0.8568091733180111
Energy: 1.185702581455028
Energy: 0.8568091733192624
Energy: 1.0093813253185735
Energy: 0.9019158063749777
Energy: 1.0128475241378176
Energy: 0.9019158063749777
Energy: 1.1980608661834065
Energy: 0.8557499726901326
Energy: 0.986410934674398
Energy: 0.8557499726901326
Energy: 1.0180359000828314
Energy: 0.8813924874431003
Energy: 0.9978462252300361
Energy: 0.8813924874418488
Energy: 0.9998954179227454
Energy: 0.8567679112665184
Energy: 1.0790160304881518
Energy: 0.8567679112652671
Energy: 0.995113678381864
Energy: 0.8831780934641056
Energy: 1.0330964690946391
Energy: 0.8831780934641056
Energy: 1.1063306857249102
Energy: 0.856187661748685
Energy: 0.9995715575604565
Energy: 0.8561876617511877
Energy: 1.020453119730661
Energy: 0.868791510547348
Energy: 1.017404327478767
Energy: 0.8687915105485993
Energy: 1.0299495732711312
Energy: 0.8608991252270956
Energy: 1.009114822654222
Energy: 0.8608991252270956
Energy: 1.0256318282477566
Energy: 0.9661639528709176
Energy: 1.0534037088316728
Energy: 0.9661650866418797
Energy: 1.0123735192235623
Energy: 0.8680464915614489
Energy: 1.0594455209657607
Energy: 0.8680464915614489
Energy: 1.0331689608196248
Energy: 0.9842939117045149
Energy: 1.0547614458025087
Energy: 0.9842939117383005
Energy: 1.0938038325927162
Energy: 0.888261837424251
Energy: 1.0088105385440589
Energy: 0.888261837424251
Energy: 1.0211604008224195
Energy: 0.9805942379622008
Energy: 1.0362520994690092
Energy: 0.9805942384737617
Energy: 1.0184329343948841
Energy: 0.8763123681866543
Energy: 1.0581885774488076
Energy: 0.8763123681866543
Energy: 1.0051359138645362
Energy: 0.8862122062698617
Energy: 1.0587066168495831
Energy: 0.8862122062686104
Energy: 1.026559950763994
Energy: 0.8618010332009363
Energy: 1.0088826328896194
Energy: 0.8618010331996849
Energy: 1.014851853897954
Energy: 0.8740763307096773
Energy: 1.0221837707556891
Energy: 0.8740763307109285
Energy: 1.0185171587133373
Energy: 0.8585119440079798
Energy: 0.9997306853458773
Energy: 0.8585119440079798
Energy: 1.0175048876667885
Energy: 0.85542759509045
Energy: 1.008106957896421
Energy: 0.8554275950829421
Energy: 0.999583430819012
Energy: 0.8568944274379318
Energy: 0.9844290621729099
Energy: 0.8568944274379318
Energy: 0.9990309097595815
Energy: 0.8795576862883768
Energy: 1.0390105933485985
Energy: 0.879557686289628

minimum gb energy = 0.8552636702717907 eV
minimum distance =  2.30672201915757 Angstroms
sigma value = 15


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

Energy: 1.0480256164720294
Energy: 1.005741474306178
Energy: 1.1093469324624365
Energy: 1.005741474300878
Energy: 0.9485717813507086
Energy: 0.9615976124134519
Energy: 0.9482524032352521
Energy: 0.9615976123308169
Energy: 0.9355084261931655
Energy: 0.8153743594326394
Energy: 0.9729650759747624
Energy: 0.8153743594336995
Energy: 0.9344097202733241
Energy: 0.8364403194205364
Energy: 0.9484519419544489
Energy: 0.8364403194215964
Energy: 1.5264560079704095
Energy: 0.8031799482865669
Energy: 0.9355411842669171
Energy: 0.8031799482855069
Energy: 0.9578604525420606
Energy: 0.8791661188008897
Energy: 0.9354876446506695
Energy: 0.8791660894624279
Energy: 0.9406415133337286
Energy: 0.7938317527372283
Energy: 0.9740085710129228
Energy: 0.7938317527351083
Energy: 0.9255412634205523
Energy: 0.8243120378325842
Energy: 0.9607901931115692
Energy: 0.8243120378262241
Energy: 1.3792072669949238
Energy: 0.7934065780219027
Energy: 0.9529369274377156
Energy: 0.7934065780219027
Energy: 0.9408542344069212
Energy: 0.8123312775506951
Energy: 0.9365014433099939
Energy: 0.8123312775517553
Energy: 0.931801027483369
Energy: 0.7928807412978442
Energy: 0.9337874346263431
Energy: 0.7928807412989043
Energy: 0.9349557026124036
Energy: 0.8426514395900313
Energy: 0.9476998652648986
Energy: 0.8426534342913738
Energy: 1.2313241457638762
Energy: 0.792815280433399
Energy: 1.006545290300252
Energy: 0.7928152804344591
Energy: 0.9458189740460052
Energy: 0.8413971383039184
Energy: 0.9381835554611355
Energy: 0.8413971383049784
Energy: 0.9376735376793438
Energy: 0.792964717342531
Energy: 0.9241879563901644
Energy: 0.792964717341471
Energy: 0.9405631887480554
Energy: 0.8301875492618277
Energy: 0.9471454553085917
Energy: 0.8301875492628876
Energy: 1.1222959663484813
Energy: 0.792759145944283
Energy: 0.9307094316669542
Energy: 0.7927591459432229
Energy: 0.9703373316594495
Energy: 0.799452471251987
Energy: 0.9219206164685356
Energy: 0.7994524712530471
Energy: 0.9481931157649823
Energy: 0.792853768374785
Energy: 0.9847353852433768
Energy: 0.7928537683758451
Energy: 0.9678125550226917
Energy: 0.8087263485580316
Energy: 0.9314150010644862
Energy: 0.8087263485601517
Energy: 0.944794510446585
Energy: 0.7961402908304197
Energy: 0.9279045408139386
Energy: 0.79614029083148
Energy: 0.9467609766695847
Energy: 0.8741734084295112
Energy: 0.9737059375252819
Energy: 0.8741734084295112
Energy: 0.9922698196043862
Energy: 0.8042098830408678
Energy: 0.930734601212314
Energy: 0.8042098830398078
Energy: 0.9369475896396466
Energy: 0.9047889068594926
Energy: 0.9453269051874913
Energy: 0.9047888974261408
Energy: 0.9335639064914008
Energy: 0.8162559132466194
Energy: 0.9560319840521277
Energy: 0.8162559132466194
Energy: 0.9700760728187332
Energy: 0.9339170057467643
Energy: 0.9495273576500775
Energy: 0.9339170061515072
Energy: 1.0458839883321625
Energy: 0.8252735389429808
Energy: 0.931233329045052
Energy: 0.8252735389419208
Energy: 1.1089688162995508
Energy: 0.893080838278276
Energy: 0.9455620373692076
Energy: 0.8930808378258313
Energy: 0.9398484488939066
Energy: 0.816871285571871
Energy: 0.9677884451895326
Energy: 0.8168712855697509
Energy: 0.9695671549437715
Energy: 0.9159077679006102
Energy: 0.9455248918213597
Energy: 0.9159077679016703
Energy: 1.1865918173524221
Energy: 0.8061665768368839
Energy: 0.9305393687104556
Energy: 0.8061665768347637
Energy: 0.937737858398097
Energy: 0.8246892991981783
Energy: 0.9318738765588873
Energy: 0.8246892991981783
Energy: 0.9395330435285197
Energy: 0.7951174506076414
Energy: 0.9288537982062145
Energy: 0.7951174506087015
Energy: 0.9433214870425941
Energy: 0.804612454759073
Energy: 0.9471965436518518
Energy: 0.804612454758013
Energy: 0.9452198151967375
Energy: 0.7927531358542688
Energy: 0.9498974605404604
Energy: 0.7927531358553288
Energy: 0.9527803864710521
Energy: 0.8077997195107659
Energy: 0.9379182176001448
Energy: 0.8077997195086458
Energy: 0.9279087487553705
Energy: 0.79502359926604
Energy: 0.9304222012296777
Energy: 0.79502359926604

minimum gb energy = 0.7927531358542688 eV
minimum distance =  2.31845880821427 Angstroms
sigma value = 85


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

Energy: 0.9817316700775992
Energy: 0.7699526491586888
Energy: 0.9920451467610362
Energy: 0.7699526491586888
Energy: 0.8549414462216188
Energy: 0.9264769705185786
Energy: 0.8603574640275813
Energy: 0.9264852465888135
Energy: 0.846978928338854
Energy: 0.7677108334047797
Energy: 0.9947414128716563
Energy: 0.7677108334047797
Energy: 0.8462944801257167
Energy: 0.7767794837771531
Energy: 0.8613600114976503
Energy: 0.7767794785491462
Energy: 0.9287706649529988
Energy: 0.7349376322083939
Energy: 0.8480635394949071
Energy: 0.7349376322083939
Energy: 0.8469833830025111
Energy: 0.7827108308184791
Energy: 0.8519756179154261
Energy: 0.7827108308175598
Energy: 0.8618038049222067
Energy: 0.7362038476573922
Energy: 0.9375006187074707
Energy: 0.7362038476573922
Energy: 0.8538696445439966
Energy: 0.7929246722513864
Energy: 0.8521365487106498
Energy: 0.7929246722504671
Energy: 0.8890809885430299
Energy: 0.7178583025532128
Energy: 0.8757736755491068
Energy: 0.7178583025532128
Energy: 0.8765766501147788
Energy: 0.8496489312120561
Energy: 0.8570716058671706
Energy: 0.8496489312111366
Energy: 0.8403790985649618
Energy: 0.7177743194609972
Energy: 0.8976783571360467
Energy: 0.7177743194600779
Energy: 0.8728359913151538
Energy: 0.7302595005473258
Energy: 0.8566345810737522
Energy: 0.7302595005546808
Energy: 0.8667284802507106
Energy: 0.7187860790713623
Energy: 0.8613681856785317
Energy: 0.7187860790713623
Energy: 0.8851698891928637
Energy: 0.7601162734600871
Energy: 0.871703885570265
Energy: 0.7601162734600871
Energy: 0.8397274724040105
Energy: 0.7185393768627905
Energy: 1.0326070238871932
Energy: 0.7185393768637097
Energy: 0.8672748452924505
Energy: 0.7578514807594233
Energy: 0.8842387733622126
Energy: 0.757851480758504
Energy: 0.8444263834932678
Energy: 0.718783760848051
Energy: 0.8619850037385146
Energy: 0.7187837608489704
Energy: 0.8836441927190121
Energy: 0.7582588979943116
Energy: 0.891742363896514
Energy: 0.7582588979952309
Energy: 0.8464796175670769
Energy: 0.7185572980391763
Energy: 0.8660017851730161
Energy: 0.7185572980382571
Energy: 0.8554451203345608
Energy: 0.7293441189772958
Energy: 0.8843563877749873
Energy: 0.7293441189772958
Energy: 0.941308007802127
Energy: 0.7189955422349311
Energy: 0.8740330980505456
Energy: 0.7189955422349311
Energy: 0.8541678703268225
Energy: 0.7306486833795623
Energy: 0.856851998944735
Energy: 0.7306486833501632
Energy: 0.8624076420222686
Energy: 0.7188795883333181
Energy: 0.8775657008170228
Energy: 0.7188795883323986
Energy: 0.8544675211295882
Energy: 0.8055153364829769
Energy: 0.8481225185552048
Energy: 0.8055153364866543
Energy: 0.9087369729137492
Energy: 0.7378232310194393
Energy: 0.9002031872480204
Energy: 0.7378232310194393
Energy: 0.846850556142567
Energy: 0.7839727178154573
Energy: 0.8519879490550528
Energy: 0.7839727177354925
Energy: 0.8899842561231797
Energy: 0.7349760253630968
Energy: 0.8487660739003926
Energy: 0.7349760253640162
Energy: 0.864961872892476
Energy: 0.7858449805386395
Energy: 0.8397614955322481
Energy: 0.7858449808382305
Energy: 0.8460025787182444
Energy: 0.7675095732921491
Energy: 0.9545443954138142
Energy: 0.7675095732921491
Energy: 0.8595174855780097
Energy: 0.7894335015933205
Energy: 1.0516374879044128
Energy: 0.7894335016649898
Energy: 0.9668419967958589
Energy: 0.7696259380655166
Energy: 0.8489601247010081
Energy: 0.7696259380370367
Energy: 0.9711634748625193
Energy: 0.8092772455703097
Energy: 0.8395477633462716
Energy: 0.8092772454793334
Energy: 0.846048452832562
Energy: 0.7685528846435845
Energy: 0.9417703614157931
Energy: 0.768552884741916
Energy: 0.8450985858913912
Energy: 0.7805035546998759
Energy: 1.1239733258637326
Energy: 0.7805035547485816
Energy: 0.8998265118074349
Energy: 0.7350730756352549
Energy: 0.8486481821571292
Energy: 0.7350730756352549
Energy: 0.8649039967914288
Energy: 0.715187437540765
Energy: 0.8482269852856104
Energy: 0.71518743753341
Energy: 0.8622764459840985
Energy: 0.7380038108799692
Energy: 0.8958269302398408
Energy: 0.7380038108799692
Energy: 0.8546380913319017
Energy: 0.7144847139047051
Energy: 0.8524861221967447
Energy: 0.7144847139037858
Energy: 0.8614725761914268
Energy: 0.7207084886920582
Energy: 0.8770731087117193
Energy: 0.7207084886920582
Energy: 0.8705081350919741
Energy: 0.7136496993141292
Energy: 0.870434573707394
Energy: 0.7136496993141292
Energy: 0.8456237134707719
Energy: 0.7189621034040062
Energy: 0.8739597833399044
Energy: 0.7189621034040062
Energy: 0.8950843158329632
Energy: 0.7310029088106491
Energy: 0.8568161694134041
Energy: 0.7310029088115684
Energy: 0.8464143466448418
Energy: 0.7159747351721485
Energy: 0.8630897966606519
Energy: 0.7159747351721485

minimum gb energy = 0.7136496993141292 eV
minimum distance =  2.32224501886406 Angstroms
sigma value = 113


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

Energy: 0.014949791799718832
Energy: 0.015237018175063281
Energy: 1.53651019502127
Energy: 0.015237018175770051
Energy: 0.015393220870566271
Energy: 0.6921835281444808
Energy: 0.015393220871979809
Energy: 0.6921835281444808
Energy: 1.53651019502127
Energy: 0.015237018175770051
Energy: 0.014949791799718832
Energy: 0.015237018175063281
Energy: 0.01539322087127304
Energy: 0.6921835281451483
Energy: 0.015393220870566271
Energy: 0.6921835281451483
Energy: 0.014949791799012064
Energy: 0.015237018175770051
Energy: 1.53651019502127
Energy: 0.015237018175063281
Energy: 0.015393220870566271
Energy: 0.6921835281451483
Energy: 0.01539322087127304
Energy: 0.6921835281451483

minimum gb energy = 0.014949791799012064 eV
minimum distance =  2.4589752212299 Angstroms
sigma value = 1