Model name: model_name=EAM_Dynamo_ZhouJohnsonWadley_2004_Fe__MO_650279905230_005
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.62842905521393
cohesive_energy=4.196039813136094
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
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: -2.38418579101562e-07 eV

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

Energy: 0.019711335682062833
Energy: 0.5053340893722703
Energy: 0.8298319886333138
Energy: 0.5051925739496794
Energy: 0.019711335682062833
Energy: 0.5053340893737671
Energy: 0.8298319886333138
Energy: 0.6175978521889236
Energy: -0.00713839174745388
Energy: 0.24195286395585203
Energy: -0.007298451429240088
Energy: 0.6175978521889236
Energy: -0.00713839174745388
Energy: 0.24195286395362106
Energy: 0.019711335682062833
Energy: 0.5053340893722703
Energy: 0.8298319886333138
Energy: 0.5051925739491712
Energy: 0.019711335682062833
Energy: 0.5053340893730328
Energy: 1.2448457540769482
Energy: 0.6175978521889236
Energy: -0.00713839174745388
Energy: 0.24195286395585203
Energy: -0.007298451429240088
Energy: 0.6175978521889236
Energy: -0.00713839174745388
Energy: 0.24195286395362106
Energy: 0.019711335682062833
Energy: 0.5053340893725244
Energy: 1.244845754074463
Energy: 0.5051925739494253
Energy: 0.019711335682062833
Energy: 0.5053340893735129
Energy: 0.7661467264658405
Energy: 0.6175978521889236
Energy: -0.00713839174745388
Energy: 0.24195286395585203
Energy: -0.007298451429240088
Energy: 0.6175978521889236
Energy: -0.00713839174745388
Energy: 0.24195286395362106

minimum gb energy = -0.007298451429240088 eV
minimum distance =  2.47578150560673 Angstroms
sigma value = 5


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

Energy: -1.7322991478854566
Energy: -1.637816117489895
Energy: -1.51137219724818
Energy: -1.6426132076925692
Energy: -1.7322991478793843
Energy: -1.6378161182850361
Energy: -1.511372197166204
Energy: -1.9257105072164369
Energy: -1.5836402565637244
Energy: -1.7285160327773217
Energy: -1.5859178140383707
Energy: -1.9257105072042924
Energy: -1.5836402565789054
Energy: -1.7285160327712494
Energy: -1.7498053660231598
Energy: -4.372743658985129
Energy: -2.3654773170770356
Energy: -3.057426208788976
Energy: -1.7498053660079789
Energy: -4.371089302829334
Energy: -2.365477412549025
Energy: -1.7941451822882681
Energy: -3.5896240171881395
Energy: -2.206508084771993
Energy: -2.670563873528288
Energy: -1.7941451823155938
Energy: -3.589623321495175
Energy: -2.206508085646019
Energy: -2.1853717314128667
Energy: -2.252114084509445
Energy: -1.4540121488711486
Energy: -1.970568167273966
Energy: -2.185371501450383
Energy: -2.2521140845306977
Energy: -1.4540121488590037
Energy: -1.8132297831277098
Energy: -2.4400578900718832
Energy: -1.986020473558188
Energy: -2.7411028910053403
Energy: -1.813229783112529
Energy: -2.4400578867548566
Energy: -1.9860204743138592
Energy: -1.85462985465416
Energy: -2.169261169092356
Energy: -1.6147568466060995
Energy: -1.9912725866074448
Energy: -1.8546298546754132
Energy: -2.169261169077175
Energy: -1.614756844117557
Energy: -1.8350418749333706
Energy: -2.9628837441758744
Energy: -1.532976525862743
Energy: -1.598962964713725
Energy: -1.8350418749424788
Energy: -2.962883743839027
Energy: -1.532976525850598
Energy: -1.8422833983652183
Energy: -1.9359061005287523
Energy: -1.939881724339978
Energy: -2.6698412721215705
Energy: -1.8422833983864713
Energy: -1.9359060954150953
Energy: -1.9398817245524533
Energy: -1.7543617786088854
Energy: -1.5898234438509165
Energy: -1.4632655303659112
Energy: -3.094273184530116
Energy: -1.7543617755376772
Energy: -1.5898234433016483
Energy: -1.4632655303659112
Energy: -1.997385663321258
Energy: -2.445430786872566
Energy: -1.8084621649891965
Energy: -1.8710486945401192
Energy: -1.9973856633121496
Energy: -2.4454307869120364
Energy: -1.8084621665126839
Energy: -1.9438366499473316
Energy: -1.8629700985765962
Energy: -1.800604363994017
Energy: -2.757504049194882
Energy: -1.9438366479230997
Energy: -1.8629700988648652
Energy: -1.8006043570533676
Energy: -1.6208904136083648
Energy: -3.78502433901736
Energy: -1.7331120901043886
Energy: -2.016884932901614
Energy: -1.620890413587167
Energy: -3.7850904063188113
Energy: -1.7331120902378687
Energy: -1.9200873237502045
Energy: -2.807201992727691
Energy: -1.7093331496443611
Energy: -3.8577142060193843
Energy: -1.920087323747168
Energy: -2.8072019920752496
Energy: -1.7093331496534698
Energy: -2.0104051416537225
Energy: -2.677865504666801
Energy: -1.5776073310256498
Energy: -1.3267371507092318
Energy: -2.010405141665867
Energy: -2.6777975341744105
Energy: -1.5776073310407757
Energy: -1.9294601324179337
Energy: -1.6667945947560545
Energy: -1.4137413497060918
Energy: -1.9034226975784254
Energy: -1.9294601330006542
Energy: -1.6668082109194045
Energy: -1.4137413497152
Energy: -1.368493282432722
Energy: -2.7949848967729585
Energy: -1.901402216341667
Energy: -2.2131916347339886
Energy: -1.368493282411469
Energy: -2.794968335466413
Energy: -1.901402216338631
Energy: -1.8109091900498937
Energy: -2.890453400714358
Energy: -2.839383498655
Energy: -2.576593180528866
Energy: -1.8109091659353191
Energy: -2.8904534007082856
Energy: -2.8393836076865107
Energy: -2.217547857905663
Energy: -2.9232523323294797
Energy: -1.632661595857969
Energy: -1.9660294224597492
Energy: -2.2175478579542416
Energy: -2.9232914414656728
Energy: -1.6326615958761859
Energy: -1.642457967482883
Energy: -2.618111401947167
Energy: -1.7797429676172782
Energy: -1.790780412390124
Energy: -1.6424579674919912
Energy: -2.6181114010275985
Energy: -1.7797429676172782
Energy: -1.674228344127298
Energy: -1.569649802901343
Energy: -1.789382925860025
Energy: -2.682936756253571
Energy: -1.674228286053225
Energy: -1.5696498029225963
Energy: -1.7893830050016981
Energy: -2.053639706350733
Energy: -1.7792352781292171
Energy: -2.063880163188678
Energy: -2.548012653087424
Energy: -2.053639706784682
Energy: -1.779235278147434
Energy: -2.0638801632008223
Energy: -1.908147720627606
Energy: -2.978133213617895
Energy: -1.774763063932086
Energy: -1.9675683383121387
Energy: -1.908147720627606
Energy: -2.9781330532344126
Energy: -1.7747635495860887
Energy: -1.8912173997258466
Energy: -1.376903173679201
Energy: -1.6952333428163049
Energy: -2.3645130227942115
Energy: -1.8912173997561526
Energy: -1.376903173682237
Energy: -1.6952333428223771
Energy: -2.057454939317231
Energy: -1.6622730998449704
Energy: -1.6421359368352735
Energy: -2.986624264995772
Energy: -2.0574549640448327
Energy: -1.6622730998510427
Energy: -1.6421359480822388
Energy: -1.5049965519534527
Energy: -1.821067469261237
Energy: -2.0271250930576903
Energy: -2.166342854494988
Energy: -1.5049965519534527
Energy: -1.821067469273382
Energy: -2.0271250930364926
Energy: -1.824505861366854
Energy: -1.6124702824798125
Energy: -1.6080205205341291
Energy: -2.8528814250904357
Energy: -1.8245058614153773
Energy: -1.612470282470704
Energy: -1.6080326873224335
Energy: -2.240014585206546
Energy: -1.8361054838151127
Energy: -1.6770632806373447
Energy: -1.8600653788833137
Energy: -2.24001459429878
Energy: -1.836105483824221
Energy: -1.6770632765919724
Energy: -2.008082967635563
Energy: -1.848151262926167
Energy: -1.5292391624402821
Energy: -1.7597014692152857
Energy: -2.008082971140776
Energy: -1.8481512629838541
Energy: -1.5292391624463544
Energy: -1.9464442081655986
Energy: -1.7215454059323545
Energy: -1.5503412049218321
Energy: -2.326045527484956
Energy: -1.946444207986576
Energy: -1.721545404135779
Energy: -1.5503412051221634
Energy: -1.986884866384283
Energy: -2.132570369481369
Energy: -1.633807209223253
Energy: -2.311550203384554
Energy: -1.986884866490493
Energy: -2.132570369520839
Energy: -1.6338072330191968
Energy: -2.0176125132136145
Energy: -2.6827312001722583
Energy: -1.6198241217101048
Energy: -1.5629632284264918
Energy: -2.0176122914845744
Energy: -2.682807485901046
Energy: -1.6198241217647555
Energy: -1.673536762902102
Energy: -1.4307752838101284
Energy: -1.946636006537651
Energy: -2.6237177211139255
Energy: -1.6735367628960296
Energy: -1.4307752838283452
Energy: -1.9466360065437232
Energy: -1.6207225444237474
Energy: -2.581907333373514
Energy: -1.7331516177984947
Energy: -1.5691237377333653
Energy: -1.620722544435892
Energy: -2.58190733344329
Energy: -1.7331499708029114
Energy: -1.3902228754447064
Energy: -2.98461751598467
Energy: -2.3847735241124863
Energy: -1.8887073216418975
Energy: -1.3902228754264891
Energy: -2.9846154794868407
Energy: -2.384773523790765
Energy: -1.8122769265948033
Energy: -1.712174367136528
Energy: -1.655193131059764
Energy: -3.3610391939893445
Energy: -1.8122769265796226
Energy: -1.7121743639590545
Energy: -1.655193131041547
Energy: -2.1236473219395187
Energy: -2.3526138982629288
Energy: -1.8641544085338422
Energy: -2.4381237483239726
Energy: -2.123645755615168
Energy: -2.352613898290199
Energy: -1.8641475280659927
Energy: -2.0263115364625133
Energy: -3.2365077574981402
Energy: -2.3867665630329893
Energy: -2.701919976907807
Energy: -2.0263115364685853
Energy: -3.2365922584027125
Energy: -2.3867684736379413
Energy: -1.6887990851303432
Energy: -1.5453528015764333
Energy: -1.6125177169461253
Energy: -2.1055686302671903
Energy: -1.6887990851152175
Energy: -1.5453528015612528
Energy: -1.6125177169401081
Energy: -2.042081090134718
Energy: -1.757606812569735
Energy: -1.8025047388142879
Energy: -2.0830877036935838
Energy: -2.042081090119537
Energy: -1.757606812041665
Energy: -1.802504738468332
Energy: -1.5997465179748895
Energy: -1.9991780146174958
Energy: -1.324129234147392
Energy: -1.6436372315509835
Energy: -1.599746517983998
Energy: -1.9991780123171397
Energy: -1.3241292341170858
Energy: -1.8547525101372724
Energy: -4.064701329235476
Energy: -1.5758848797839506
Energy: -2.901908519131335
Energy: -1.8547525101039297
Energy: -4.065528848208635
Energy: -1.575884879759717
Energy: -1.7077192794370355
Energy: -2.1094456757684976
Energy: -1.5503521113453709
Energy: -3.0971000553227275
Energy: -1.707719279324698
Energy: -2.109445675762425
Energy: -1.5503521113332812
Energy: -1.7317254032823506
Energy: -2.051224053947788
Energy: -2.491137797017052
Energy: -1.6388950470982129
Energy: -1.7317254033005678
Energy: -2.051224053255876
Energy: -2.491137162848667
Energy: -2.02374095121079
Energy: -2.001129691824448
Energy: -2.154487978767133
Energy: -3.8531922844232076
Energy: -2.023740907206091
Energy: -2.0011296917577077
Energy: -2.154487978764097
Energy: -1.612049118063336
Energy: -1.7804878990888822
Energy: -1.4031990627530304
Energy: -1.8957939043857255
Energy: -1.6120491180694085
Energy: -1.7804878986033184
Energy: -1.4031990627378494
Energy: -1.8148228688604888
Energy: -1.8945375810500298
Energy: -2.1247873324658455
Energy: -2.979745554345047
Energy: -1.8148228688726336
Energy: -1.8945375810591383
Energy: -2.124787332289804

minimum gb energy = -4.372743658985129 eV
minimum distance =  2.26566631109419 Angstroms
sigma value = 401


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

Energy: -2.304749837117151
Energy: -2.69151406934674
Energy: -2.0966709646783506
Energy: -2.1087381244593773
Energy: -2.301695314169464
Energy: -2.691433967453263
Energy: -1.8318409471556902
Energy: -2.289069919452376
Energy: -2.303494717797178
Energy: -1.9104937433763516
Energy: -2.2531439371689688
Energy: -2.2890699193420927
Energy: -2.3016432226549006
Energy: -2.368119360483606
Energy: -1.9461839349675423
Energy: -2.3259015929475977
Energy: -2.4339385078995184
Energy: -1.5779260505335886
Energy: -1.9461839349675423
Energy: -2.3259015987073286
Energy: -1.7166797112366314
Energy: -2.033174973556024
Energy: -2.376340465584523
Energy: -2.340773301242288
Energy: -1.8951792516340622
Energy: -2.0331749729772874
Energy: -2.3763404655638447
Energy: -2.3407733012181637
Energy: -1.7377934467347211
Energy: -2.319589898057206
Energy: -2.187104703003064
Energy: -2.9188915388214736
Energy: -1.7377934456392827
Energy: -2.3195898988874006
Energy: -1.7967287216182706
Energy: -2.2443283185119265
Energy: -2.4574224075508924
Energy: -1.838984823126388
Energy: -2.3641994832847013
Energy: -2.2443282422263042
Energy: -2.457422407626712
Energy: -2.293620595806835
Energy: -2.2316614848922214
Energy: -2.587135639559555
Energy: -1.6600480252661935
Energy: -2.230301738549252
Energy: -2.231661484881882
Energy: -2.587135638608801
Energy: -1.6600480252799792
Energy: -2.040330305603441
Energy: -2.4330044217917424
Energy: -1.6262340727384383
Energy: -2.022354853566266
Energy: -2.0403303681338594
Energy: -2.4330043830615793
Energy: -1.6262340727660092
Energy: -1.994132244184473
Energy: -2.3321384350908057
Energy: -2.430292653995577
Energy: -2.763432319031754
Energy: -1.9941322441224387
Energy: -2.3321384287764624
Energy: -2.4302926738171124
Energy: -1.8188245498825624
Energy: -1.8962549564604514
Energy: -2.3432355169240062
Energy: -2.7143892337003925
Energy: -1.8188245527624591
Energy: -1.8962549166451885
Energy: -2.2101736970425745
Energy: -2.125310973414968
Energy: -2.0874183550485075
Energy: -2.283660345900364
Energy: -2.245527710195058
Energy: -2.1253109719854213
Energy: -2.087418330232018
Energy: -2.283659859591434
Energy: -1.8693245301834687
Energy: -1.5942610165023465
Energy: -2.2630585632239173
Energy: -2.1321983923321244
Energy: -1.8693245368698923
Energy: -1.5942610164989002
Energy: -2.263058562796758
Energy: -2.254231753599259
Energy: -2.8454210526495993
Energy: -2.3223603136826703
Energy: -2.408795585591529
Energy: -2.25425909532434
Energy: -2.844672069134123
Energy: -1.6713168745780342
Energy: -0.292661949983036
Energy: -2.691515430278646
Energy: -2.2093097316395265
Energy: -2.1087381294371004
Energy: -1.1611650592933793
Energy: -2.6912122359101582
Energy: -1.8347816195183615
Energy: -2.289069918815051
Energy: -2.2359820807887836
Energy: -2.005337806951575
Energy: -1.5358333923639502
Energy: -2.2890699186083956
Energy: -2.2360633489852124
Energy: -1.7795471232047766
Energy: -1.9461839349606496
Energy: -2.325901597477482
Energy: -2.311654038720467
Energy: -1.5779260517082931
Energy: -1.9461839349675423
Energy: -2.325901595076503
Energy: -1.716679711202168
Energy: -2.033174986339733
Energy: -2.3473159600882862
Energy: -1.9032474251328653
Energy: -1.895179251623723
Energy: -2.0331749991510755
Energy: -2.347315351174767
Energy: -1.9032474463701619
Energy: -1.7377934417982925
Energy: -2.4645116513494436
Energy: -2.3960079332953237
Energy: -2.9187265300973992
Energy: -1.7377934419016203
Energy: -2.464511651035951
Energy: -2.396007935916807
Energy: -1.9930898000160757
Energy: -2.457422407482028
Energy: -1.8389848232503938
Energy: -2.364199483388029
Energy: -1.9930904968897023
Energy: -2.457422407444118
Energy: -2.2936136210695945
Energy: -2.3312501037166524
Energy: -2.5871356267619983
Energy: -1.6600480252696401
Energy: -2.2303017507267167
Energy: -2.3312501039370934
Energy: -2.5871356283225064
Energy: -1.6600480252730865
Energy: -1.9611016281184108
Energy: -2.4330044533876447
Energy: -1.6262340726178788
Energy: -1.9640705170928179
Energy: -1.961101628945159
Energy: -2.433004377184735
Energy: -1.6262340726626814
Energy: -1.9941322440466818
Energy: -2.3321384208981653
Energy: -2.2456790035221146
Energy: -2.763431829698244
Energy: -1.9941322440535745
Energy: -2.3321384093855326
Energy: -2.245679030688013
Energy: -1.8188245638168516
Energy: -1.8962548968133768
Energy: -2.2888177420478466
Energy: -2.714331528004843
Energy: -1.8188245688153148
Energy: -1.8962548821624967
Energy: -2.21016816813141
Energy: -2.1253109662876617
Energy: -1.9343801734998753
Energy: -2.1672916249600003
Energy: -2.245527702671547
Energy: -2.125310975388913
Energy: -1.9343801763556476
Energy: -2.1307863185856006
Energy: -2.139689597870697
Energy: -1.5942610164059114
Energy: -2.26305856551123
Energy: -2.1321983967965905
Energy: -2.1396895994001888
Energy: -1.5942610163680015
Energy: -2.263058564701713
Energy: -1.94225163104556
Energy: -2.8447366131004084
Energy: -1.8141476701219472
Energy: -2.4087956640714747
Energy: -1.9422516046134832
Energy: -2.845066205030389
Energy: -1.6713168743575304
Energy: -2.281896517035025
Energy: -2.6912855907174147
Energy: -1.9361539498512752
Energy: -2.1087381356343298
Energy: -2.302645018409941
Energy: -2.691215320434442
Energy: -1.9361538784367263
Energy: -2.2890699186738135
Energy: -2.302759092907312
Energy: -1.9220681247173157
Energy: -2.259276992358596
Energy: -2.289069918997645
Energy: -2.3040151485575664
Energy: -1.9220681247311013
Energy: -1.9461839349675423
Energy: -2.3259016053041472
Energy: -1.7166797112400778
Energy: -1.5779260542884828
Energy: -1.9461839349709886
Energy: -2.325901606482298
Energy: -1.7166797112435244
Energy: -2.033174989781134
Energy: -2.3763404657050824
Energy: -1.7853456106997934
Energy: -1.8951792516271693
Energy: -2.033174974982187
Energy: -2.3763404657085285
Energy: -1.7853455537121115
Energy: -1.7377934437239257
Energy: -2.319589897216672
Energy: -2.318311183768211
Energy: -2.920542109095107
Energy: -1.7377934482229187
Energy: -2.3195898965587323
Energy: -2.3183111833410512
Energy: -2.244328998729836
Energy: -2.457422407554339
Energy: -2.2940389386646136
Energy: -2.3641994832709154
Energy: -2.244328439290764
Energy: -2.457422406999726
Energy: -2.294041232023588
Energy: -2.2316614848853287
Energy: -2.587135635115704
Energy: -1.6600480252799792
Energy: -2.230301669146433
Energy: -2.231661484888775
Energy: -2.5871356436761284
Energy: -1.6600480252834253
Energy: -2.040330433912746
Energy: -2.4330042824280453
Energy: -1.62623407279358
Energy: -2.0223548615858014
Energy: -2.040330393611735
Energy: -2.4330042878811766
Energy: -1.6262340726764668
Energy: -1.9941322441052067
Energy: -2.3321384335992246
Energy: -1.974142501428278
Energy: -2.7634334025418075
Energy: -1.9941322441120994
Energy: -2.3321384234851847
Energy: -2.137093213859226
Energy: -1.818824582756497
Energy: -1.8962549741978214
Energy: -2.1378245024648654
Energy: -2.714306420839088
Energy: -1.8188245850611038
Energy: -1.896254875383147
Energy: -1.953825044015135
Energy: -2.1253109593118698
Energy: -2.0874183603294463
Energy: -1.7795747527907109
Energy: -2.2455277027369656
Energy: -2.125310960710525
Energy: -2.0874183735265297
Energy: -1.7056818977063881
Energy: -1.8693245471285533
Energy: -1.5942610164644369
Energy: -1.9728071611027074
Energy: -2.1321983996971032
Energy: -1.869324545612848
Energy: -1.5942610164989002
Energy: -2.3530806526761245
Energy: -2.254225490562163
Energy: -2.8445153510485377
Energy: -1.8595685240152007
Energy: -2.408795749372127
Energy: -2.2542264840762547
Energy: -2.8441685565129218
Energy: -1.5896729807633208
Energy: -1.20484232578937
Energy: -2.691157318790831
Energy: -1.9361547211158452
Energy: -2.1087381463373824
Energy: -1.2749896550347783
Energy: -2.6911826674592456
Energy: -1.9361545522300099
Energy: -2.289069919369663
Energy: -2.3022641793738945
Energy: -1.922068124720762
Energy: -1.5358333907207924
Energy: -2.289069919497116
Energy: -2.3025994524830686
Energy: -1.922068124720762

minimum gb energy = -2.920542109095107 eV
minimum distance =  2.24190043531264 Angstroms
sigma value = 311


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

Energy: -0.67891738450805
Energy: -0.7283223525132815
Energy: -0.5426446717677834
Energy: -0.5957740012358163
Energy: -0.6789173716154331
Energy: -0.7283223524882104
Energy: -0.5426446717729567
Energy: -0.39147009097324037
Energy: -0.8530490687686908
Energy: -0.4941757221431661
Energy: -0.5005483805946813
Energy: -0.3914700909712507
Energy: -0.8530490692476062
Energy: -0.49417572210300925
Energy: -0.667182079013536
Energy: -0.9447501096868753
Energy: -0.532400243803898
Energy: -1.1495283828436016
Energy: -0.6671820749092924
Energy: -0.9447501096777222
Energy: -0.5324002441161443
Energy: -0.35901579951048246
Energy: -0.774186860649929
Energy: -0.36886452905354405
Energy: -0.6474355366331707
Energy: -0.3590157995108804
Energy: -0.7741868606531127
Energy: -0.3688645290555338
Energy: -0.4258912572026738
Energy: -0.7078160622022535
Energy: -0.48902999941534847
Energy: -1.1777226922169786
Energy: -0.4258912572014799
Energy: -0.7078160621950903
Energy: -0.48902999941809794
Energy: -0.7507155641067181
Energy: -0.6966288893533774
Energy: -0.9527860457893839
Energy: -0.8106766098865457
Energy: -0.75071556410831
Energy: -0.6966288893482041
Energy: -0.9527860016671373
Energy: -0.5797560919543933
Energy: -0.6437913698935921
Energy: -0.7571523311145749
Energy: -0.6721523173854071
Energy: -0.5797560916162801
Energy: -0.6437913698959797
Energy: -0.30552038864746894
Energy: -0.7433722614033363
Energy: -0.32744382831444874
Energy: -0.7022973533925967
Energy: -0.6154744996646979
Energy: -0.7433722615505056
Energy: -0.3274438283184282
Energy: -0.7022973534407486
Energy: -0.7764500696085419
Energy: -0.6841306046167277
Energy: -0.9432449895206294
Energy: -0.745064529571486
Energy: -0.776450069418394
Energy: -0.6841306046155338
Energy: -0.9432449994785066
Energy: -0.7116343513477358
Energy: -0.389844664441619
Energy: -0.6717940765118574
Energy: -0.4916204067963986
Energy: -0.7116343513441541
Energy: -0.38984466412181157
Energy: -0.6717940776192448
Energy: -0.8584827542533996
Energy: -0.8540654202937571
Energy: -0.7523638846204194
Energy: -0.5848176726897031
Energy: -0.8584827542565832
Energy: -0.8540654202885838
Energy: -0.7523638977720296
Energy: -0.4358871860915441
Energy: -0.7846129356899254
Energy: -0.09490418501764619
Energy: -0.9348236920276636
Energy: -0.43588718609194205
Energy: -0.7846129356883337
Energy: -0.09490417858962541
Energy: -0.6772359176800059
Energy: -0.688884744886324
Energy: -0.7456759689862497
Energy: -0.6723344411087334
Energy: -0.6772359176780162
Energy: -0.6888847449316543
Energy: -0.7456759689763008
Energy: -0.7362316319141723
Energy: -1.0165732752616565
Energy: -0.21542374888744276
Energy: -0.837646880924497
Energy: -0.7362316319038256
Energy: -1.0165732749291145
Energy: -0.21542374888425914
Energy: -0.8051079586585532
Energy: -0.7162135176834852
Energy: -0.7144971079037327
Energy: -0.5529182143517621
Energy: -0.8051079586358701
Energy: -0.7162135176838831
Energy: -0.7144971079013449
Energy: -0.5075111555917008
Energy: -0.832950393194056
Energy: -0.6745979012232992
Energy: -0.8360150656400193
Energy: -0.5075111555881192
Energy: -0.8329503931853011
Energy: -0.674597901225289
Energy: -0.6672762337496873
Energy: -1.0053823946423233
Energy: -0.9216511386643438
Energy: -0.6794733587060275
Energy: -0.6672762337417283
Energy: -1.0053823383394294
Energy: -0.9216511721727821
Energy: -0.7558382409819134
Energy: -0.4839368725220228
Energy: -0.4714842464634359
Energy: -0.864598851939419
Energy: -0.7558382409397306
Energy: -0.4839368725248085
Energy: -0.4714842464590584
Energy: -0.8123886770510694
Energy: -1.0778807970063196
Energy: -0.6139036802009283
Energy: -1.6013884001394874
Energy: -0.8123886769635564
Energy: -1.0778807970771183
Energy: -0.613903680196153
Energy: -0.9200998891303188
Energy: -0.6291239696276135
Energy: -0.5914307086189112
Energy: -0.9347601706281751
Energy: -0.9200998891311147
Energy: -0.6291239696260217
Energy: -0.5914307104765438
Energy: -0.5856496830862291
Energy: -0.7812200236731722
Energy: -0.3071284593405377
Energy: -0.7471111558913868
Energy: -0.5856496830953458
Energy: -0.7812200236739681
Energy: -0.7876440869879923
Energy: -0.5650312234912178
Energy: -0.5893982071181135
Energy: -0.44784056470675754
Energy: -0.9717254612635365
Energy: -0.5650312234999726
Energy: -0.5893982071181135
Energy: -0.4478405647143186
Energy: -0.7778069291821404
Energy: -0.519196666502698
Energy: -0.4799814600972594
Energy: -1.259697976794475
Energy: -0.7778069295942363
Energy: -0.5191966664995145
Energy: -0.7070292990278003
Energy: -0.6038049582759955
Energy: -0.7285547905867507
Energy: -0.3988853795459961
Energy: -0.6347270933274265
Energy: -0.603804960913647
Energy: -0.7285547905847608
Energy: -0.3988853795511695
Energy: -0.4272454016654281
Energy: -0.905424832106827
Energy: -0.6298169312032116
Energy: -0.4573843263854102
Energy: -0.42724540165985675
Energy: -0.9054248303530233
Energy: -0.7838191541753123
Energy: -0.4058658607417856
Energy: -1.2111897075703448
Energy: -0.5785277176800444
Energy: -1.0075295840011973
Energy: -0.4058658607417856
Energy: -1.21089772933894
Energy: -0.5785277176812383
Energy: -0.6360441752442257
Energy: -0.9848291066729239
Energy: -0.4837155020384014
Energy: -1.463160902391079
Energy: -0.6360441738281373
Energy: -0.9848291066585977
Energy: -0.4674589858738348
Energy: -0.534354415944442
Energy: -0.8449194445059166
Energy: -0.3813101226775076
Energy: -0.7660322855114988
Energy: -0.5343544162936978
Energy: -0.8449194445798991
Energy: -0.3813101226771097
Energy: -0.5369142483342578
Energy: -0.8993944681633016
Energy: -0.5339241884154214
Energy: -0.6523561819766482
Energy: -0.5369142550781428
Energy: -0.8993944686573391
Energy: -0.5339241881155115
Energy: -0.9067803058315425
Energy: -0.6592628810024368
Energy: -0.8968034855807335
Energy: -0.3417312548476772
Energy: -0.9067803058227876
Energy: -0.6592633083649755
Energy: -0.8968015475705766
Energy: -0.6604106162852945
Energy: -1.1338950947701345
Energy: -0.9616544376122684
Energy: -0.7433658995742499
Energy: -0.6604106163743991
Energy: -1.1338950947697364
Energy: -0.9616468400495184
Energy: -0.6085074435657445
Energy: -1.4406002086470182
Energy: -0.37508542856072263
Energy: -0.6538796777418817
Energy: -0.6085074434639053
Energy: -1.4405996724555672
Energy: -0.3750854285563814
Energy: -0.6790967657016757
Energy: -0.7708872050853204
Energy: -0.8311112961082672
Energy: -0.8320785465411205
Energy: -0.6790967656456007
Energy: -0.7708872050821367
Energy: -0.7838508060553693
Energy: -0.733862215918247
Energy: -0.6943155828308264
Energy: -0.7151490218855722
Energy: -0.6334639226794608
Energy: -0.7338618396366244
Energy: -0.6943155349754794
Energy: -0.7151490219742789
Energy: -0.6406568985511875
Energy: -1.1139016881866484
Energy: -0.6648230485112477
Energy: -0.8555748029744326
Energy: -0.6406568986911937
Energy: -1.1299849036161564
Energy: -0.6648230485128396
Energy: -0.6327588265432745
Energy: -0.9057098752407622
Energy: -0.5703000069702121
Energy: -0.3473138691404799
Energy: -0.6327588286872506
Energy: -0.9057099272345764
Energy: -0.5702997777376011

minimum gb energy = -1.6013884001394874 eV
minimum distance =  2.26539029177579 Angstroms
sigma value = 39


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

Energy: 0.7709772167691952
Energy: 0.014173329680757728
Energy: 0.05051319143386452
Energy: 0.014343045267391467
Energy: 0.7709772167612108
Energy: 0.014166306448778454
Energy: 0.05051318185376889
Energy: 0.11941545719912669
Energy: 0.16129825431198822
Energy: -1.7868834704861838
Energy: 0.10890208654065124
Energy: 0.11955957747798031
Energy: 0.16129825433354983
Energy: -1.7877931593661456
Energy: -0.7885349325388727
Energy: 0.0895523892992267
Energy: -0.7563435108171546
Energy: 0.18914675091818353
Energy: -0.7887579427861222
Energy: 0.08955281041892972
Energy: -0.7563435066029083
Energy: 0.14232408461165913
Energy: 0.11991378956446833
Energy: -2.0614551929406963
Energy: 0.09361375786359896
Energy: 0.14232408695376106
Energy: 0.11991318715348111
Energy: -2.1079453784267486
Energy: 0.07498930136810643
Energy: 0.28352240862366773
Energy: -0.0804519571372168
Energy: 0.3270696674780067
Energy: 0.07498930136669744
Energy: 0.28352318171916985
Energy: -0.08045195212113514
Energy: 0.9413276180050888
Energy: -0.8914515247495259
Energy: 0.3071535041790342
Energy: 0.12823857428035423
Energy: 0.9413276180135427
Energy: -1.0350410594846613
Energy: 0.3071576238127098
Energy: -0.00723790422878633
Energy: -1.0699071817353962
Energy: 0.08073439967800689
Energy: -1.7530969907721043
Energy: -0.007237903856048205
Energy: -0.9942887674719839
Energy: -0.9810775336782921
Energy: 0.941870640462871
Energy: -0.08180641807507306
Energy: 0.556148091702195
Energy: -0.08674784531084848
Energy: 0.9418706404680371
Energy: -0.08180641806521023
Energy: 0.5561480916181687
Energy: -0.028087295967827716
Energy: -1.1181782399804716
Energy: -1.0886097763028468
Energy: -1.2152900816655725
Energy: -0.028087296540554998
Energy: -1.3779218088533125
Energy: -1.4432175301763264
Energy: 0.9414118943382898
Energy: 0.12180014017853394
Energy: -1.4893652062972813
Energy: -1.789831051254925
Energy: 0.9414118943335931
Energy: 0.12180013983585397
Energy: -1.3068457320653257
Energy: 0.07635463957392921
Energy: -1.101496351015834
Energy: -1.3008281030654991
Energy: 0.2841670467027428
Energy: 0.07635463957815614
Energy: -1.1013254482256987
Energy: -1.2056232585388278
Energy: 0.13244980679971924
Energy: 0.10015746490031309
Energy: -0.22154527347775105
Energy: 0.11761249347445454
Energy: 0.13244879829285178
Energy: 0.10015746441724789
Energy: -0.22154520591356502
Energy: 0.3542061375010541
Energy: 0.3266250279755667
Energy: -1.3564388694504483
Energy: 0.08926216250579178
Energy: -0.6435117290405885
Energy: 0.32573762092020897
Energy: -1.1573917980510533
Energy: 0.0911971919844069
Energy: -1.0488283455828076
Energy: -1.5671847495143139
Energy: 0.1637642144365548
Energy: 0.09120807394336598
Energy: -0.9450465872388784
Energy: -1.5676888084810157
Energy: 0.7709772167682557
Energy: 0.014170432016248513
Energy: -0.8884593692823457
Energy: 0.014340908526499248
Energy: 0.7709772167593323
Energy: 0.014170020804761641
Energy: -0.8884593692607842
Energy: 0.11940227857784069
Energy: 0.1612982543420037
Energy: -1.758081373810715
Energy: 0.1089010048512003
Energy: 0.11956295969901902
Energy: 0.16129825433824646
Energy: -1.7597548913839536
Energy: -0.7887525110987096
Energy: 0.08955205758910974
Energy: -0.9366118646572488
Energy: -1.0997948807369247
Energy: -0.7292362943159946
Energy: 0.08955280037126764
Energy: -0.9367806139973633
Energy: 0.1423240877691737
Energy: 0.11991331505935816
Energy: -0.20061265563714292
Energy: 0.09361375786970454
Energy: 0.14232409057414552
Energy: 0.11991621993842085
Energy: -0.20053898705099132
Energy: 0.07498930131456534
Energy: 0.28352308162258827
Energy: -0.08045195463598602
Energy: 0.3270835960974131
Energy: 0.07498930132442817
Energy: 0.28352290683599
Energy: -0.0804519523051559
Energy: 0.9413276180050888
Energy: -0.8798035439559726
Energy: 0.30715586374866893
Energy: 0.12823857425029608
Energy: 0.941327618013073
Energy: -0.8919246414586708
Energy: 0.3071528711505349
Energy: -0.007237903820396851
Energy: -0.8219380757742988
Energy: -0.9810770843648139
Energy: -1.0636510220641566
Energy: -0.0072379035945764674
Energy: -0.9513020412011426
Energy: -0.1351170170502943
Energy: 0.9418706404609923
Energy: -0.08180641806755853
Energy: 0.5561480918303691
Energy: -0.08674784523899072
Energy: 0.9418706404670979
Energy: -0.0818064180736641
Energy: 0.5561480916472876
Energy: -0.028087296530692165
Energy: -1.3508208148440133
Energy: -1.0886098477014963
Energy: -0.9656602360482375
Energy: -0.028087298723955018
Energy: -1.2007374441851166
Energy: -1.2434606279162779
Energy: 0.94141189433782
Energy: 0.12180013985177965
Energy: -1.4755016580877969
Energy: -1.7793856865818714
Energy: 0.9414118943326538
Energy: 0.12180013972083029
Energy: -0.9103013670863116
Energy: 0.07635463957252024
Energy: -1.0802952346467738
Energy: -1.245879822871377
Energy: 0.28416612445593104
Energy: 0.07635463957768648
Energy: -1.091662996794971
Energy: -0.42944681920932176
Energy: 0.13244926983616684
Energy: 0.10015746501439743
Energy: -0.2215436969371962
Energy: 0.1176124963503021
Energy: 0.1324487965999888
Energy: 0.10015746528808028
Energy: -0.22154531912894881
Energy: -0.8851857562080117
Energy: 0.32573760498426646
Energy: -1.356438868744381
Energy: 0.08926212354564894
Energy: -1.1098542129584033
Energy: 0.3261263716241984
Energy: -1.1573972889417472
Energy: 0.09119091836273807
Energy: -1.0898429350348868
Energy: -1.4019266504306196
Energy: 0.16376421446375228
Energy: 0.09080399998620832
Energy: -1.4646931217330799
Energy: -1.7560370866753474
Energy: 0.7709772167696646
Energy: 0.014170924476405998
Energy: -1.681336850207715
Energy: 0.014340094539532836
Energy: 0.7709772167630895
Energy: 0.014165980670620104
Energy: 0.02526728489372698
Energy: 0.11956166227424984
Energy: 0.16129825434153405
Energy: -1.7634604590101655
Energy: 0.10890037045471357
Energy: 0.11938323354855354
Energy: 0.16129825433918574
Energy: -1.7853189443481745

minimum gb energy = -2.1079453784267486 eV
minimum distance =  2.28192612298972 Angstroms
sigma value = 21


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

Energy: -0.4081898358168869
Energy: -0.6084522951422314
Energy: -1.1156000390973289
Energy: -0.6099424215911229
Energy: -0.40818983581802715
Energy: -0.6084522951205918
Energy: -1.1156000418271002
Energy: -0.20212292655236602
Energy: -0.26497398677620715
Energy: -0.5089993764322711
Energy: -0.263383065275957
Energy: -0.20212292655065558
Energy: -0.2649739867767773
Energy: -0.5089993764334114
Energy: -0.408333661223776
Energy: -0.6306962953570856
Energy: -1.116976740730241
Energy: -0.5400191160900283
Energy: -0.40833366122035514
Energy: -0.6306962961298638
Energy: -1.1169767407279603
Energy: -0.36413718934038986
Energy: -0.6323633151211607
Energy: -0.42526616865718114
Energy: -0.26069521701492543
Energy: -0.36413718934210026
Energy: -0.6323633151160554
Energy: -0.4252661686531901
Energy: -0.8376523510520774
Energy: -0.4637941850843645
Energy: -0.8013703897271995
Energy: -0.397646002123775
Energy: -0.8376522677534078
Energy: -0.4637941850906361
Energy: -0.8013703897311907
Energy: -0.36941072207991027
Energy: -0.5572226326205832
Energy: -0.5096907240966182
Energy: -0.27917431960175587
Energy: -0.3694107220856116
Energy: -0.5572226326205832
Energy: -0.5096907240983286
Energy: -0.49571685257401055
Energy: -0.5350702560651605
Energy: -0.6035187235413455
Energy: -0.4225573926506916
Energy: -0.49571685257287024
Energy: -0.5350702560651605
Energy: -0.6035187235305128
Energy: -0.7289576439781685
Energy: -0.4258611394062615
Energy: -0.7488299841003436
Energy: -0.3054596926561647
Energy: -0.7289576438875675
Energy: -0.42586113940341086
Energy: -0.7488292005490096
Energy: -0.5078522366091783
Energy: -0.1691589399140666
Energy: -0.6785129248561433
Energy: -0.3569347137415106
Energy: -0.5078522366131694
Energy: -0.1691589399095055
Energy: -0.6785129248247853
Energy: -0.2616808451619726
Energy: -0.6524288664612542
Energy: -0.45041335817340344
Energy: -0.31421746186671684
Energy: -0.26168084516140244
Energy: -0.6524288689630715
Energy: -0.4504133581699826
Energy: -0.4982203870765793
Energy: -0.4539315894217545
Energy: -0.8954918935449147
Energy: -0.5451266868952973
Energy: -0.49822038707315847
Energy: -0.4539315894605242
Energy: -0.8954918856724456
Energy: -0.40869823133135513
Energy: -0.6504736168857503
Energy: -0.22432105638935104
Energy: -0.2912456962718492
Energy: -0.4086982313291005
Energy: -0.6504736168857503
Energy: -0.2243210563887809
Energy: -0.497305423189402
Energy: -0.5109604325642705
Energy: -0.7581503919344951
Energy: -0.10593963907783897
Energy: -0.4973054231928229
Energy: -0.5109604325716823
Energy: -0.7581503919333549
Energy: -0.7474976303506642
Energy: -0.34637927641052535
Energy: -0.36276419388919434
Energy: -0.22885807312086381
Energy: -0.7474976303911184
Energy: -0.34637927636322935
Energy: -0.3627641938886242
Energy: -0.46648453281936614
Energy: -0.7089522938541921
Energy: -0.6076407979512155
Energy: -0.10993320974605605
Energy: -0.46648453269854745
Energy: -0.7089523023187815
Energy: -0.6076407979517856
Energy: -0.7418985677846487
Energy: -0.33026054775231656
Energy: -0.3972250974515133
Energy: -0.34316957718543745
Energy: -0.7418985718593634
Energy: -0.33026054773521224
Energy: -0.3972250974572148
Energy: -0.2253620740404752
Energy: -0.2946821559793838
Energy: -0.4222795596585226
Energy: -0.11132007969191852
Energy: -0.22536207404104536
Energy: -0.2946821559810942
Energy: -0.42227955965339126
Energy: -0.19329504531517447
Energy: -0.1971456300041919
Energy: -0.4757810062309786
Energy: -0.46416802854829975
Energy: -0.19329504531289388
Energy: -0.19714563000191132
Energy: -0.4757810062252772
Energy: -0.47112930612931697
Energy: -0.2917620745064818
Energy: -0.48669777198998493
Energy: -0.14347888385950072
Energy: -0.4711293061304572
Energy: -0.2917620745007803
Energy: -0.4866977717648818
Energy: -0.1367887912173375
Energy: -0.2217488167285367
Energy: -0.2444880117032329
Energy: -0.22151823232002033
Energy: -0.13678879121619722
Energy: -0.22174881672112484
Energy: -0.24448801170893433
Energy: -0.4468980698614204
Energy: -0.14285901721070818
Energy: -0.3755073858889331
Energy: -0.22765859570972288
Energy: -0.4468980698562891
Energy: -0.14285901721013802
Energy: -0.375507385884372
Energy: -0.18690725000023112
Energy: -0.6991638977413241
Energy: -0.38502753059225203
Energy: -0.6092688610621084
Energy: -0.18690724999966093
Energy: -0.6991638976706781
Energy: -0.3850275305876909
Energy: -0.2342411720322372
Energy: -0.10826049130691932
Energy: -0.44563887729688223
Energy: -0.29451950464679333
Energy: -0.23424117199919475
Energy: -0.1082604913091999
Energy: -0.44563887582655887
Energy: -0.7409751078988207
Energy: -0.16784746330032346
Energy: -0.5932064048738488
Energy: -0.40208671836389576
Energy: -0.7409751079085132
Energy: -0.167847463298613
Energy: -0.5932064048732787
Energy: -0.46520850349236476
Energy: -0.10978899336273788
Energy: -1.0719991181912252
Energy: -0.7092752757344315
Energy: -0.4652085034889439
Energy: -0.10978899336330802
Energy: -1.0719976466814467

minimum gb energy = -1.116976740730241 eV
minimum distance =  2.28224941443838 Angstroms
sigma value = 113


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

Energy: -3.3731175488236587
Energy: -3.222793972867909
Energy: -2.920932675416944
Energy: -3.1605465702772784
Energy: -3.3740517367920506
Energy: -3.222419152638462
Energy: -2.920932675401034
Energy: -2.6961555488996076
Energy: -2.979790792849415
Energy: -3.4234826084396666
Energy: -3.299230717915282
Energy: -2.6961556956887778
Energy: -2.979662282039582
Energy: -3.423482994410094
Energy: -3.075279648683841
Energy: -2.6038385370652803
Energy: -2.9386969168091115
Energy: -3.051821387760844
Energy: -3.075296339349349
Energy: -2.603838531375278
Energy: -3.148999639157331
Energy: -3.056200901407799
Energy: -2.94616499426493
Energy: -3.5316082515552782
Energy: -2.81616433026398
Energy: -3.0559854756133227
Energy: -2.946166166933966
Energy: -3.5317408760845885
Energy: -3.51405878797589
Energy: -2.7636487527953006
Energy: -3.3578642194854633
Energy: -3.2750344627674193
Energy: -3.514374320169225
Energy: -2.7636494467551627
Energy: -3.3578664602435717
Energy: -2.587784384006416
Energy: -3.292855134125708
Energy: -2.99296258928674
Energy: -3.003253249332267
Energy: -2.587784384143183
Energy: -3.2922791187382776
Energy: -2.9930006697954945
Energy: -2.8574613054558466
Energy: -3.1908273347154963
Energy: -3.329186014305688
Energy: -2.8248541294077367
Energy: -2.857386384687831
Energy: -3.1908270985462366
Energy: -3.3291448629414737
Energy: -3.138625544033395
Energy: -3.826631391791139
Energy: -3.6271118410325647
Energy: -3.1272117373881825
Energy: -3.138625388532679
Energy: -3.826550741525453
Energy: -3.6272594791471104
Energy: -2.8723982605876803
Energy: -3.451243712818561
Energy: -3.511182905019063
Energy: -3.3410456734974616
Energy: -2.8723982479672268
Energy: -3.4512440838530423
Energy: -3.5111831660952952
Energy: -2.5608601563175757
Energy: -3.364374367308446
Energy: -2.9722955841090024
Energy: -3.2362768994761715
Energy: -2.560860151165095
Energy: -3.3643728245940583
Energy: -2.972329426484389
Energy: -3.568945900315579
Energy: -3.3489205499507015
Energy: -3.2081321341739466
Energy: -3.0897498146339077
Energy: -3.568947371664583
Energy: -3.348922054921405
Energy: -3.2081327346667363
Energy: -3.72439762357578
Energy: -3.230740813844286
Energy: -2.6802255212470962
Energy: -3.3295000013443508
Energy: -3.7246138102395836
Energy: -3.2307331872988745
Energy: -2.6802245547991776
Energy: -3.3475012761515295
Energy: -3.600098890534934
Energy: -2.965493673540429
Energy: -3.7056191557844915
Energy: -3.3475325374966474
Energy: -3.60008836502419
Energy: -2.9654926842910205
Energy: -3.382940145309655
Energy: -3.5555707972845627
Energy: -3.195416391558384
Energy: -2.917365568893064
Energy: -3.3829401454972756
Energy: -3.555531854103105
Energy: -3.1954139693207844
Energy: -3.335798716344424
Energy: -2.9803988713619045
Energy: -2.5259314520822858
Energy: -2.8283772790310158
Energy: -3.3357979617853517
Energy: -2.980398769453582
Energy: -3.0637238926921646
Energy: -3.4219146406562864
Energy: -3.4016535932005816
Energy: -3.15377378619157
Energy: -3.1545631995336114
Energy: -3.421925728295882
Energy: -3.4018631398839565
Energy: -3.15377468675103
Energy: -2.75443852718042
Energy: -3.3548008135829783
Energy: -2.8680885365991884
Energy: -3.377930920442314
Energy: -2.754438524193879
Energy: -3.3557839962733365
Energy: -2.86808878078343
Energy: -2.8880087349853625
Energy: -2.5828582490415006
Energy: -3.1033623907607764
Energy: -3.6914368601887326
Energy: -2.8880083080906673
Energy: -2.5828582177893282
Energy: -3.102698825806637
Energy: -3.436705592870185
Energy: -3.7503526616486593
Energy: -3.0395400080029695
Energy: -3.4312168588123124
Energy: -3.4367058811370046
Energy: -3.7503533746759388
Energy: -3.0395400033943742
Energy: -2.950086795937549
Energy: -2.819037203226521
Energy: -2.7600776759576355
Energy: -3.634697132025155
Energy: -2.9500867956004333
Energy: -2.864413112539952
Energy: -2.7600134963899894
Energy: -4.038485627855884
Energy: -3.527523405729326
Energy: -2.819028635796171
Energy: -2.497525194980042
Energy: -4.0384844968744416
Energy: -3.5275234099658617
Energy: -2.8190274858872595
Energy: -2.8644357829379214
Energy: -3.0402257100762413
Energy: -2.927460029460457
Energy: -3.857844142977726
Energy: -2.864435543438641
Energy: -3.040223829125287
Energy: -2.927460010323036
Energy: -3.3808749955548647
Energy: -3.5044190626285245
Energy: -3.542478242530458
Energy: -3.2714780803762724
Energy: -3.380874995631174
Energy: -3.504419052647951
Energy: -3.5352685435214175
Energy: -3.473826346621761
Energy: -2.843506100906661
Energy: -2.7747816335795625
Energy: -2.6951266425608678
Energy: -3.4738501506303496
Energy: -2.843506104096733
Energy: -2.774781650204325
Energy: -2.685451487169405
Energy: -3.7113940745308605
Energy: -3.104045501792602
Energy: -3.096566057832285
Energy: -2.6854539479077095
Energy: -3.71139361470154
Energy: -3.1031473574996316
Energy: -3.5228615695730854
Energy: -3.209084864107913
Energy: -2.5916000516577062
Energy: -3.5066082302304515
Energy: -3.5223636521320065
Energy: -3.209084840129671
Energy: -2.5915993507483024
Energy: -3.3303128558035713
Energy: -2.9819846396453125
Energy: -2.9607052101952167
Energy: -3.655487942164994
Energy: -3.3303127430686175
Energy: -2.981984651340217
Energy: -2.9607016498485557
Energy: -3.0525462587135435
Energy: -3.17856238303465
Energy: -3.2353720009446367
Energy: -3.1618858592942316
Energy: -3.0519907448964183
Energy: -3.178561283734772
Energy: -3.2353737715683475
Energy: -3.306910166454729
Energy: -3.096015250190171
Energy: -3.28992203073872
Energy: -3.7930067625971025
Energy: -3.3069343269372697
Energy: -3.0960152565671906
Energy: -3.2899217722196354
Energy: -2.8508725750874495
Energy: -3.2957733788378336
Energy: -2.7290580732912875
Energy: -3.0219037040863808
Energy: -2.850872080097049
Energy: -3.2957733796202517
Energy: -2.72905821072008
Energy: -3.437014948281829
Energy: -3.189533460127976
Energy: -3.2428201743231484
Energy: -3.320731526317065
Energy: -3.437487566673277
Energy: -3.1891766294154453
Energy: -3.2428233038185343
Energy: -3.342691239615934
Energy: -3.4570692730920927
Energy: -3.7721016275996653
Energy: -3.353260743718326
Energy: -3.3431564940329777
Energy: -3.457069282850043
Energy: -3.749479971170191
Energy: -3.1879756971133126
Energy: -3.2570089576361334
Energy: -3.255601448451342
Energy: -2.9532411635109983
Energy: -3.1879755193995396
Energy: -3.2571038147604203
Energy: -3.2549781210518196
Energy: -3.7103708900523635
Energy: -3.674607571995091
Energy: -3.1093966671743924
Energy: -2.3791433691252157
Energy: -3.708791259794516
Energy: -3.6746074160904385
Energy: -3.1093982389336476
Energy: -3.746640649195743
Energy: -3.4803444686063068
Energy: -3.541694735270722
Energy: -3.1115146568051313
Energy: -3.808435095742852
Energy: -3.4803446381810006
Energy: -3.424162597555274
Energy: -2.981772891128719
Energy: -3.31852469719578
Energy: -3.302833102748725
Energy: -3.1089661375973616
Energy: -2.981772492092537
Energy: -3.3185258247644702
Energy: -3.284747057447225
Energy: -3.3020901717199793
Energy: -3.5589025379082337
Energy: -3.8202921401002436
Energy: -3.024399067071694
Energy: -3.302344703600963
Energy: -3.5592135965972678
Energy: -3.8201214849587974
Energy: -3.5369215285042936
Energy: -3.027260458920659
Energy: -2.912556093028225
Energy: -3.4469429552147384
Energy: -3.536931361934911
Energy: -3.0272604590128784
Energy: -2.9125560940714488
Energy: -3.4247262332798067
Energy: -2.9710749796827116
Energy: -2.9180433958411056
Energy: -3.157059731715909
Energy: -3.4247261161271187
Energy: -2.971074954578572
Energy: -2.9180426415905116
Energy: -3.046616082897436
Energy: -3.6327074370200867
Energy: -2.733083624972492
Energy: -3.1585853555840355
Energy: -3.0466283473662363
Energy: -3.6327356800589707
Energy: -2.7330836952406155
Energy: -3.091533779723558
Energy: -3.021111950736532
Energy: -2.5162738977830292
Energy: -2.9940238126873524
Energy: -3.091534244870821
Energy: -3.0211062945253464
Energy: -2.552029045796311
Energy: -3.063011476018508
Energy: -3.055304836055024
Energy: -2.9985050375684987
Energy: -3.312896506474664
Energy: -3.0630114713367282
Energy: -3.055304887831378
Energy: -2.9985269727217925
Energy: -3.0572957085684447
Energy: -2.9564871396102856
Energy: -3.1201550457368774
Energy: -3.478597055029893
Energy: -3.057295704840851
Energy: -2.9564857208836925
Energy: -3.12005421812393
Energy: -3.727353530776254
Energy: -3.0833535394909193
Energy: -2.985628038238417
Energy: -3.0612866393176255
Energy: -3.7288049797334377
Energy: -3.083358365763794
Energy: -2.985239500399913
Energy: -3.390438315597731
Energy: -3.2854440474934052
Energy: -3.501287901147809
Energy: -3.4405742905818655
Energy: -3.3904383154196562
Energy: -3.285444047582443
Energy: -3.502158028625525

minimum gb energy = -4.038485627855884 eV
minimum distance =  2.28677366581209 Angstroms
sigma value = 365


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

Energy: 0.01184276522761523
Energy: -0.5017840608621253
Energy: 0.291107444958882
Energy: -0.5017840608685822
Energy: 0.011842765223310738
Energy: -0.5017840608685822
Energy: -1.5055192018722785
Energy: 0.011842765225462983
Energy: -0.5017840608678648
Energy: 0.09094765589294186
Energy: -0.5017840608649952
Energy: 0.01184276522761523
Energy: -0.5017840608649952
Energy: 0.09094765590585532
Energy: 0.01184276522761523
Energy: -0.5017840608714519
Energy: -1.8408028291305207
Energy: -0.5017840608649952
Energy: 0.011842765228332646
Energy: -0.5017840608649952
Energy: -1.8409280754558017
Energy: 0.011842765224745568
Energy: -0.5017840608621253
Energy: -1.5329941481124827
Energy: -0.5017840608678648
Energy: 0.011842765221875906
Energy: -0.5017840608678648
Energy: -1.5311924354375086
Energy: 0.011842765226897815
Energy: -0.5017840608685822
Energy: -1.6589109810763005
Energy: -0.5017840608649952
Energy: 0.011842765228332646
Energy: -0.5017840608657125
Energy: -1.6589675355128048
Energy: 0.0118427652261804
Energy: -0.5017840608714519
Energy: -1.6056125559811456
Energy: -0.5017840608642777
Energy: 0.011842765224745568
Energy: -0.5017840608649952
Energy: -1.6056127914219522
Energy: 0.01184276522761523
Energy: -0.5017840608621253
Energy: -1.7543621236851534
Energy: -0.5017840608678648
Energy: 0.011842765224028154
Energy: -0.5017840608685822
Energy: -1.7540724255227234
Energy: 0.011842765224745568
Energy: -0.5017840608678648
Energy: -1.3100962608096218
Energy: -0.5017840608642777
Energy: 0.011842765225462983
Energy: -0.5017840608649952
Energy: -1.3100952735939275
Energy: 0.01184276522761523
Energy: -0.5017840608714519
Energy: -1.0373376014537048
Energy: -0.5017840608664299
Energy: 0.011842765226897815
Energy: -0.5017840608642777
Energy: -1.0373376015333053
Energy: 0.011842765225462983
Energy: -0.5017840608621253
Energy: -1.4484014724814824
Energy: -0.5017840608678648
Energy: 0.011842765223310738
Energy: -0.5017840608685822
Energy: -1.4484000623091822
Energy: 0.011842765224745568
Energy: -0.5017840608678648
Energy: -2.2384386521725887
Energy: -0.5017840608642777
Energy: 0.011842765228332646
Energy: -0.5017840608664299
Energy: -2.2380570145577647
Energy: 0.011842765226897815
Energy: -0.5017840608721693
Energy: -1.1627897814434172
Energy: -0.5017840608642777
Energy: 0.011842765226897815
Energy: -0.5017840608657125
Energy: -1.1627299102806927
Energy: 0.0118427652261804
Energy: -0.5017840608642777
Energy: -1.2572296685074358
Energy: -0.5017840608685822
Energy: 0.011842765223310738
Energy: -0.5017840608692996
Energy: -1.2572296616835446
Energy: 0.011842765224028154
Energy: -0.5017840608685822
Energy: -0.6324582959228491
Energy: -0.5017840608649952
Energy: 0.011842765226897815
Energy: -0.5017840608664299
Energy: -0.5733203130889953
Energy: 0.01184276522761523
Energy: -0.5017840608707343
Energy: -0.5715674299566843
Energy: -0.5017840608649952
Energy: 0.0118427652261804
Energy: -0.5017840608649952
Energy: -0.6339813172626051
Energy: 0.011842765224028154
Energy: -0.5017840608621253
Energy: -0.5804093400488073
Energy: -0.5017840608678648
Energy: 0.011842765225462983
Energy: -0.5017840608678648
Energy: -0.5724785307460161
Energy: 0.0118427652261804
Energy: -0.5017840608678648
Energy: -0.5749768524406047
Energy: -0.5017840608642777
Energy: 0.01184276522761523
Energy: -0.5017840608649952
Energy: -0.5730299411782253
Energy: 0.0118427652261804
Energy: -0.5017840608728866
Energy: -0.6320353120040156
Energy: -0.5017840608649952
Energy: 0.0118427652261804
Energy: -0.5017840608657125
Energy: -0.572836257722164
Energy: 0.01184276522761523
Energy: -0.5017840608642777
Energy: -0.5749446236926505
Energy: -0.5017840608678648
Energy: 0.011842765223310738
Energy: -0.5017840608685822
Energy: -0.6278817415183632
Energy: 0.011842765226897815
Energy: -0.5017840608685822
Energy: -0.5737233008407342
Energy: -0.5017840608649952
Energy: 0.011842765224745568
Energy: -0.5017840608664299
Energy: -0.5728622674781628

minimum gb energy = -2.2384386521725887 eV
minimum distance =  2.3565965686198 Angstroms
sigma value = 23