Model name: model_name=EAM_Dynamo_MendelevHanSrolovitz_2003Potential5_Fe__MO_942420706858_005
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.6582963466644287
cohesive_energy=4.015220655245625
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.399403557024326e-19, 2.21962346521092e-19, 2.7510173894097e-19, 3.2405784816947395e-19, 3.7376858259259196e-19, 4.21119310833828e-19, 4.62758279374854e-19, 4.97950089140664e-19, 5.26854957794658e-19, 5.4997917315318e-19, 5.685692286374819e-19, 5.836953782390759e-19, 5.961202580357459e-19, 6.063982211428559e-19, 6.1494743566188e-19, 6.220402716205979e-19, 6.278513662721159e-19, 6.32526517690128e-19, 6.36189093475452e-19, 6.38960859052272e-19, 6.409587733148699e-19, 6.422853755678219e-19, 6.43023978996096e-19, 6.432578967846599e-19, 6.42998344169952e-19, 6.42139577494128e-19, 6.40556626979736e-19, 6.38095683669912e-19, 6.34591723371354e-19, 6.29948615486022e-19, 6.24156746954112e-19, 6.172241286587939e-19, 6.09158771483238e-19, 5.998789644191099e-19, 5.89134767911506e-19, 5.76525637801926e-19, 5.61309766308828e-19, 5.420467966382459e-19, 5.16503294562384e-19, 4.819427423903699e-19, 4.34156222104686e-19, 3.65478920688276e-19, 2.6591005159171197e-19, 9.1176667887672e-20, -2.71266128079174e-19, -9.88323484979142e-19, -2.1421902684897e-18, -3.774888367367399e-18, -6.0632452101769195e-18, -9.21911661323208e-18, -1.3452163410858118e-17, -1.8925070618471397e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.015120610128798312
Energy: 0.01590568772611505
Energy: 0.9291408446709886
Energy: 0.06364932194454048
Energy: 0.015905687726727506
Energy: 1.1722328675802665
Energy: 0.015905687726727506
Energy: 1.1722328675916311
Energy: 0.9291408446721794
Energy: 0.015905687726727506
Energy: 0.015120610128798312
Energy: 0.01590568772849683
Energy: 0.06364932194454048
Energy: 1.172232867586221
Energy: 0.015905687726727506
Energy: 1.1722328675838392

minimum gb energy = 0.015120610128798312 eV
minimum distance =  2.54671881904248 Angstroms
sigma value = 1


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

Energy: 0.5079957247409764
Energy: 0.3211374750884756
Energy: 0.36872718714231545
Energy: 0.33466054398462974
Energy: 0.31500478595816983
Energy: 0.36065823385395146
Energy: 0.3858723479618997
Energy: 0.3606582338569226
Energy: 0.33032970378421916
Energy: 0.25816477053187525
Energy: 0.4169438517528358
Energy: 0.258164770532618
Energy: 0.25802887141315456
Energy: 0.5002073619019516
Energy: 0.38111446096802737
Energy: 0.5002073707281941
Energy: 0.4525646160095119
Energy: 0.5163345916960131
Energy: 0.3788928154800033
Energy: 0.5163345916833859
Energy: 0.33865215251767283
Energy: 0.40686960622546653
Energy: 0.38467392722235494
Energy: 0.4068696009206726
Energy: 0.4014083614759456
Energy: 0.6935009130528151
Energy: 0.3519573047602793
Energy: 0.6935009130543006
Energy: 0.38475690193755097
Energy: 0.5800495364306203
Energy: 0.2844627583142224
Energy: 0.5800495364402765
Energy: 0.3276770563141879
Energy: 0.7825839228272989
Energy: 0.3072576329824757
Energy: 0.7825839228287844
Energy: 0.39526686716961174
Energy: 0.7734787375838832
Energy: 0.2919516557166091
Energy: 0.7734787377294003
Energy: 0.25044626513496904
Energy: 0.7779362646279477
Energy: 0.23279610193488848
Energy: 0.7779362646264621
Energy: 0.3301970124850253
Energy: 0.770158169931284
Energy: 0.37473936946656705
Energy: 0.7701581699275701
Energy: 0.3968355298574977
Energy: 0.6970814985063309
Energy: 0.428668108364146
Energy: 0.6970814985063309
Energy: 0.3932818565587525
Energy: 0.6914706572795216
Energy: 0.47713999619881986
Energy: 0.6914706572824927
Energy: 0.4415929328967678
Energy: 0.46748166096175864
Energy: 0.3794899988051477
Energy: 0.4674816609647297
Energy: 0.3514163205500437
Energy: 0.46671583498073743
Energy: 0.37664135034005203
Energy: 0.4667158350445489
Energy: 0.2958134813474583
Energy: 0.2575391024120525
Energy: 0.37250845851697545
Energy: 0.2575391024127953
Energy: 0.3770604487596886
Energy: 0.2461809741743566
Energy: 0.3147462174104642
Energy: 0.24618097417509938
Energy: 0.4155814666113109
Energy: 0.26087174812401676
Energy: 0.29077020671195525
Energy: 0.2608717481329301
Energy: 0.30040466490066364
Energy: 0.24685476422897937
Energy: 0.22262436414057218
Energy: 0.24685476418893681
Energy: 0.38341304333581877
Energy: 0.4653155982938157
Energy: 0.5365266554290355
Energy: 0.46531559828044566
Energy: 0.37480230095440314
Energy: 0.4792261399509348
Energy: 0.38289960384778526
Energy: 0.4792261399479637
Energy: 0.3552701969947374
Energy: 0.6870358334883007
Energy: 0.40183146755283383
Energy: 0.6870358334860722
Energy: 0.2876473808897868
Energy: 0.686808035621937
Energy: 0.3911205174846229
Energy: 0.6868080356256508
Energy: 0.3280106869256762
Energy: 0.7745710638146134
Energy: 0.3542638903874027
Energy: 0.774571063816099
Energy: 0.31326633082538585
Energy: 0.7684483241649455
Energy: 0.4506366247251114
Energy: 0.7684483241656882
Energy: 0.2316569272964779
Energy: 0.7803120753299035
Energy: 0.2710460405982812
Energy: 0.7803120753291607
Energy: 0.36638937471739513
Energy: 0.7742719300675053
Energy: 0.3300624885867821
Energy: 0.774271930068248
Energy: 0.42780086873198564
Energy: 0.7007844366925697
Energy: 0.3804749891746394
Energy: 0.7007844366903414
Energy: 0.4365388790877034
Energy: 0.6778425103896086
Energy: 0.3935523744340201
Energy: 0.677842510398522
Energy: 0.37253457895583914
Energy: 0.46379187273128647
Energy: 0.44135923068441435
Energy: 0.4637918727357431
Energy: 0.3807545019432179
Energy: 0.4612877962364676
Energy: 0.3561866148141569
Energy: 0.4612877962357248
Energy: 0.3749743937241064
Energy: 0.2567170171763983
Energy: 0.2904169508909321
Energy: 0.2567170173085455

minimum gb energy = 0.22262436414057218 eV
minimum distance =  2.27686442700192 Angstroms
sigma value = 1


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

Energy: 0.5243035111361026
Energy: 0.4056795858453604
Energy: 0.43848687578347173
Energy: 0.34205177487912114
Energy: 0.4126011195041658
Energy: 0.4228296509047762
Energy: 0.42081329735694817
Energy: 0.4228296509090107
Energy: 0.34923871095172043
Energy: 0.3377198105550913
Energy: 0.49108110395121274
Energy: 0.33771981055593825
Energy: 0.35237849091768886
Energy: 0.5652243837898719
Energy: 0.4136115141224501
Energy: 0.5652242788481678
Energy: 0.4730397406327739
Energy: 0.5613203964798927
Energy: 0.4609948507228544
Energy: 0.5613203962581208
Energy: 0.4509934721767986
Energy: 0.44788331201352033
Energy: 0.45608038588799393
Energy: 0.44788331202029547
Energy: 0.46035342006734653
Energy: 0.8187690874503682
Energy: 0.5271668003795936
Energy: 0.818769087451215
Energy: 0.4242616686494757
Energy: 0.6721693200574377
Energy: 0.4519381715051671
Energy: 0.6721693200582846
Energy: 0.41360853396175173
Energy: 0.8438330462920599
Energy: 0.4936504969965058
Energy: 0.8438330462946005
Energy: 0.47579842032583164
Energy: 0.8280540693896369
Energy: 0.49583136474037737
Energy: 0.828054069380321
Energy: 0.4922801977783478
Energy: 0.8047482289879757
Energy: 0.45625607666045515
Energy: 0.8047482289896695
Energy: 0.5202874595330499
Energy: 0.7734928430563536
Energy: 0.4520981385052616
Energy: 0.7734928430538128
Energy: 0.4631111650553506
Energy: 0.5826946629026662
Energy: 0.511146164890417
Energy: 0.5826946629085945
Energy: 0.4482883671781105
Energy: 0.5680586105022898
Energy: 0.41379814490045275
Energy: 0.5680586104481268
Energy: 0.44710132110677725
Energy: 0.347976906102287
Energy: 0.34271438775991764
Energy: 0.3479769061082152
Energy: 0.40262385986497873
Energy: 0.3225991829074516
Energy: 0.41844885390960973
Energy: 0.3225991829277771
Energy: 0.3500325248359513
Energy: 0.3307031905358554
Energy: 0.4923274149649372
Energy: 0.3307031905451713
Energy: 0.3670168638412845
Energy: 0.3432809895932701
Energy: 0.37975738869021436
Energy: 0.34328098959157627
Energy: 0.4725502561455035
Energy: 0.5583644460726971
Energy: 0.4538102227617524
Energy: 0.5583644460701563
Energy: 0.5082193214433636
Energy: 0.6019422421261188
Energy: 0.4568575629608952
Energy: 0.6019422421278127
Energy: 0.4592709157827043
Energy: 0.8095554983769422
Energy: 0.5233155341414231
Energy: 0.8095554983566167
Energy: 0.49402306644278504
Energy: 0.7724177748858934
Energy: 0.4629861002417716
Energy: 0.7724177748833527
Energy: 0.41179376864738937
Energy: 0.838630777519997
Energy: 0.5112484298081226
Energy: 0.8386307775183032
Energy: 0.4765570460191243
Energy: 0.8249082375212394
Energy: 0.4546423340593034
Energy: 0.8249082375271677
Energy: 0.4903896915001561
Energy: 0.8094685137649077
Energy: 0.4876921758667585
Energy: 0.8094685137682953
Energy: 0.49767984063279214
Energy: 0.782610379245469
Energy: 0.4533481193847575
Energy: 0.7826103792513973
Energy: 0.45914598319851735
Energy: 0.5846911464714831
Energy: 0.5109389233803254
Energy: 0.5846911464706361
Energy: 0.44662939440450783
Energy: 0.5779946028705184
Energy: 0.41694955872599176
Energy: 0.577994602878949
Energy: 0.4413532132417357
Energy: 0.3216773362769653
Energy: 0.34142100273084836
Energy: 0.32167733624397477

minimum gb energy = 0.32167733624397477 eV
minimum distance =  2.28657964707465 Angstroms
sigma value = 25


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

Energy: 0.6135424831969161
Energy: 0.49946519771630365
Energy: 0.5134218283198863
Energy: 0.43520421199352005
Energy: 0.43573807784846585
Energy: 0.5500739641835576
Energy: 0.5047236982886916
Energy: 0.5500739641845421
Energy: 0.42689370873286836
Energy: 0.4254296119023016
Energy: 0.6705478146880769
Energy: 0.42542961190328615
Energy: 0.43669405601539574
Energy: 0.6918686978042571
Energy: 0.5065005900015529
Energy: 0.6918686978200091
Energy: 0.5780588319349778
Energy: 0.7007283631135938
Energy: 0.5695936902839981
Energy: 0.7007283631067022
Energy: 0.510696293608556
Energy: 0.6893657021324846
Energy: 0.5351038597146389
Energy: 0.6893657021324846
Energy: 0.5954280174092415
Energy: 0.9072442093316281
Energy: 0.7103563177750942
Energy: 0.9072442093326126
Energy: 0.5567591906932237
Energy: 0.7996059178610743
Energy: 0.5165495356260645
Energy: 0.7996059178591053
Energy: 0.5878940622917815
Energy: 0.9061406828077133
Energy: 0.5200847764643348
Energy: 0.9061406828096823
Energy: 0.5023651411957086
Energy: 0.8981859696029241
Energy: 0.5153354276443471
Energy: 0.8981859696029241
Energy: 0.5420434506006817
Energy: 0.6996849561492337
Energy: 0.5711242812105704
Energy: 0.6996849561492337
Energy: 0.5132620823604889
Energy: 0.6891975867737536
Energy: 0.5024979881058081
Energy: 0.6891975867727692
Energy: 0.4229508752152472
Energy: 0.42707098138653776
Energy: 0.5549186710949814
Energy: 0.4270709813766928
Energy: 0.5063041020013374
Energy: 0.42606845303770474
Energy: 0.4326086718359009
Energy: 0.42606845303770474
Energy: 0.6687481600429684
Energy: 0.4313537058558234
Energy: 0.43783976413722775
Energy: 0.43135370582727284
Energy: 0.45977795773138824
Energy: 0.4263510865519914
Energy: 0.4370603418820859
Energy: 0.4263510865519914
Energy: 0.565452416693211
Energy: 0.6989047567238492
Energy: 0.5386511372608804
Energy: 0.6989047567248337
Energy: 0.5759968492510983
Energy: 0.7098283034226199
Energy: 0.49032981039668844
Energy: 0.7098283034117905
Energy: 0.6795185607943934
Energy: 0.9146543421508582
Energy: 0.6063777399116451
Energy: 0.9146543421488892
Energy: 0.5307986884097464
Energy: 0.9072278837672224
Energy: 0.5757873758367267
Energy: 0.9072278837662379
Energy: 0.5396675243361806
Energy: 0.9003154281102737
Energy: 0.5886417592930354
Energy: 0.9003154281102737
Energy: 0.5228066481614145
Energy: 0.8938027937302532
Energy: 0.5667952932186336
Energy: 0.8938027937302532
Energy: 0.5709592654735344
Energy: 0.7002552455877961
Energy: 0.5412944060154024
Energy: 0.700255245589765
Energy: 0.5063052511147204
Energy: 0.677302446143151
Energy: 0.5136607527349744
Energy: 0.677302446143151
Energy: 0.554743701904318
Energy: 0.4261042856031253
Energy: 0.4289620087114838
Energy: 0.4261042856021408

minimum gb energy = 0.4229508752152472 eV
minimum distance =  2.27748027828269 Angstroms
sigma value = 9


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

Energy: 0.7331744963121926
Energy: 0.6038720977135851
Energy: 0.608022957962546
Energy: 0.528286768684084
Energy: 0.496887852124248
Energy: 0.6589985447463745
Energy: 0.5477339069537952
Energy: 0.6589985447487233
Energy: 0.5338530923491681
Energy: 0.5272607717808104
Energy: 0.5914359128910743
Energy: 0.5272607716317104
Energy: 0.5470282199918015
Energy: 0.8068968772774967
Energy: 0.5490736297283895
Energy: 0.8068968772763221
Energy: 0.7424047737548831
Energy: 0.8056643983410186
Energy: 0.6913639858341996
Energy: 0.8056643983351464
Energy: 0.6920022316273912
Energy: 0.8258224436760432
Energy: 0.629348633805718
Energy: 0.8258224436772175
Energy: 0.8113901701684535
Energy: 1.0017342687019917
Energy: 0.7234074004344762
Energy: 1.0017342687019917
Energy: 0.6439263487703131
Energy: 0.990229703745213
Energy: 0.5653665996788576
Energy: 0.9902297037475619
Energy: 0.6988308000103263
Energy: 0.8068257125810868
Energy: 0.6187077912703648
Energy: 0.8068257125810868
Energy: 0.548903256994725
Energy: 0.805047319374048
Energy: 0.6280370770670843
Energy: 0.8050473193693504
Energy: 0.6703071655493088
Energy: 0.5303298277321753
Energy: 0.5345373785083417
Energy: 0.5303298277427452
Energy: 0.4859806063130099
Energy: 0.5343152526364974
Energy: 0.5462245747184215
Energy: 0.5343152526106864
Energy: 0.545005395475462
Energy: 0.5332948925378178
Energy: 0.5933648359522671
Energy: 0.5332948925683265
Energy: 0.5478319142033576
Energy: 0.5131521771727685
Energy: 0.586940330675554
Energy: 0.5131521761632065
Energy: 0.7373687244742876
Energy: 0.804169855062537
Energy: 0.6951125606042884
Energy: 0.8041698550848245
Energy: 0.637235019327704
Energy: 0.8082187082825072
Energy: 0.6965564158746114
Energy: 0.8082187082825072
Energy: 0.8119549998277693
Energy: 0.9997911185480779
Energy: 0.7232934167490228
Energy: 0.9997911185480779
Energy: 0.8136237206799627
Energy: 1.000491472931614
Energy: 0.6415753813797572
Energy: 1.0004914729280905
Energy: 0.6987366605156422
Energy: 0.8075597354471278
Energy: 0.6242141529518956
Energy: 0.8075597354494767
Energy: 0.71523595675362
Energy: 0.8073597282063888
Energy: 0.6236121284227963
Energy: 0.8073597282028654
Energy: 0.6675012814013498
Energy: 0.5306922662357237
Energy: 0.5227828341916079
Energy: 0.5306922662568636

minimum gb energy = 0.4859806063130099 eV
minimum distance =  2.28773073853862 Angstroms
sigma value = 25


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

Energy: 1.0232181770482398
Energy: 0.7807368202427893
Energy: 0.7812595335681232
Energy: 0.6906683431299131
Energy: 0.630560032711143
Energy: 0.8154924174953339
Energy: 0.7209890426106303
Energy: 0.8154924174953339
Energy: 0.7172569440893726
Energy: 0.6922419896965224
Energy: 0.7334068744458574
Energy: 0.6922419896950699
Energy: 0.7185962123538491
Energy: 0.8306153953905219
Energy: 0.8089876249648834
Energy: 0.8306153953890696
Energy: 0.8141653443938789
Energy: 0.9547417621884767
Energy: 0.80225765170422
Energy: 0.9547417621856049
Energy: 0.8066776825396932
Energy: 0.9755856130382865
Energy: 0.809729343554432
Energy: 0.9755856130339293
Energy: 0.8122469297022847
Energy: 0.9568108059884343
Energy: 0.7965730105847216
Energy: 0.9568108059884343
Energy: 0.8135245028943539
Energy: 0.9738570145591094
Energy: 0.8112157689131867
Energy: 0.9738570145591094
Energy: 0.6974007607123429
Energy: 0.6901028845149451
Energy: 0.6270050569045607
Energy: 0.6901028845105878
Energy: 0.7198540369376754
Energy: 0.6891255753627783
Energy: 0.6278624784595107
Energy: 0.6891255753642307
Energy: 0.7375529248793058
Energy: 0.7185358778987775
Energy: 0.718427881740748
Energy: 0.7185358778987775
Energy: 0.7367238356028933
Energy: 0.6932701297704557
Energy: 0.7173117077368768
Energy: 0.6932701297748128
Energy: 0.8092726442560071
Energy: 0.9548580744258187
Energy: 0.8974942706391172
Energy: 0.9548580744272711
Energy: 0.7958499114177691
Energy: 0.9553347515705275
Energy: 0.7179734077567234
Energy: 0.9553347515748848
Energy: 0.7967513122024709
Energy: 0.956577114114209
Energy: 0.8127178466307429
Energy: 0.9565771140982325
Energy: 0.8103731970065786
Energy: 0.9561123434243568
Energy: 0.8123488575993812
Energy: 0.9561123434243568
Energy: 0.6283224962771721
Energy: 0.68858729454646
Energy: 0.6972300900830823
Energy: 0.6885872945479123

minimum gb energy = 0.6270050569045607 eV
minimum distance =  2.28006389367979 Angstroms
sigma value = 17


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

Energy: 0.7509355485830052
Energy: 0.6806329346018577
Energy: 0.7562427660172201
Energy: 0.4297180485457965
Energy: 0.6716121223431917
Energy: 0.7959299405907989
Energy: 0.6694659246753296
Energy: 0.7959299405875088
Energy: 0.7223825863871363
Energy: 0.7973765453113386
Energy: 0.7269035313131581
Energy: 0.7973765453121612
Energy: 0.7554601627123912
Energy: 0.9644403575300362
Energy: 0.789382442695775
Energy: 0.9644403574930575
Energy: 0.8311591112663462
Energy: 1.095788211547532
Energy: 0.9294579118714388
Energy: 1.095788211547532
Energy: 0.7554229558241995
Energy: 1.0970266196769425
Energy: 0.7602014729840282
Energy: 1.0970266196785876
Energy: 0.7573619499725152
Energy: 0.7932377905419733
Energy: 0.8070060527594657
Energy: 0.7932377905419733
Energy: 0.6773016038026992
Energy: 0.7952242215244179
Energy: 0.7253301429788306
Energy: 0.7952242215244179
Energy: 0.6729084839826197
Energy: 0.6631952905914197
Energy: 0.7379261466653521
Energy: 0.6631952905922422
Energy: 0.7208626192751704
Energy: 0.7130184128670751
Energy: 0.6882353575040798
Energy: 0.7130184128711882
Energy: 0.8563922036494075
Energy: 0.9299526687833846
Energy: 0.7640373801398065
Energy: 0.9299526688458634
Energy: 0.7048119609431267
Energy: 0.9814865488698127
Energy: 0.870326664025936
Energy: 0.9814865488681676
Energy: 0.7476419140449102
Energy: 0.966594160494794
Energy: 0.8958271925472124
Energy: 0.9665941604980842
Energy: 0.7479533367328758
Energy: 0.968170652551091
Energy: 0.7979882722021727
Energy: 0.9681706521942407
Energy: 0.7367647950018302
Energy: 0.7082051862646416
Energy: 0.6995055229329041
Energy: 0.7082051862662867
Energy: 0.6675870254933611
Energy: 0.7249355554325666
Energy: 0.6985058528579225
Energy: 0.724935555431744
Energy: 0.7190058373765347
Energy: 0.8027120282316921
Energy: 0.7211115778880599
Energy: 0.8027120282308694
Energy: 0.7222259248759918
Energy: 0.8008440800676164
Energy: 0.8136863110517525
Energy: 0.8008440800692617
Energy: 0.7869596021780657
Energy: 1.093340706363417
Energy: 0.7568464733528709
Energy: 1.0933407063642397
Energy: 0.9508757448106505
Energy: 1.0910690521527093
Energy: 0.7608611408961655
Energy: 1.0910690521518869
Energy: 0.8074898374221149
Energy: 1.0281307978237686
Energy: 0.6877132553425896
Energy: 1.0281307978229461
Energy: 0.7419951365123544
Energy: 0.7137110819105995
Energy: 0.7574184589469674
Energy: 0.7137110819221156
Energy: 0.6885579111747973
Energy: 0.7095306755268118
Energy: 0.6733989838232007
Energy: 0.7095306755268118
Energy: 0.7378356451403825
Energy: 0.705907445324043
Energy: 0.7173882227161168
Energy: 0.7059074453232205
Energy: 0.7673020726695392
Energy: 1.0470937420540771
Energy: 0.7043171227405122
Energy: 1.047093742003937
Energy: 0.8704257067286445
Energy: 0.9722069008931128
Energy: 0.855701173323117
Energy: 0.9722069008479083
Energy: 0.7645833206848821
Energy: 1.086739926878529
Energy: 0.7409832442868239
Energy: 1.086739926880137
Energy: 0.8877630641898384
Energy: 0.9730999164804977
Energy: 0.7493129479047022
Energy: 0.9730999164739171
Energy: 0.7884799429088362
Energy: 1.0091012304461697
Energy: 0.7533900679430074
Energy: 1.009101230445347
Energy: 0.698931652406372
Energy: 0.7120504546429016
Energy: 0.7322772408696498
Energy: 0.712050454646192

minimum gb energy = 0.4297180485457965 eV
minimum distance =  2.28013618905837 Angstroms
sigma value = 53


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

Energy: 1.482810328095215
Energy: 0.8713848480643307
Energy: 0.9377079403253712
Energy: 0.8276022020460361
Energy: 0.7809168823640572
Energy: 0.8379681768966852
Energy: 0.8277100418908014
Energy: 0.8379681768947916
Energy: 0.8280776129765368
Energy: 0.8344554264208011
Energy: 0.8714156612492645
Energy: 0.8344554264226947
Energy: 0.827555197534299
Energy: 0.9272449817834206
Energy: 0.8296454754609469
Energy: 0.9272449817853143
Energy: 0.8464276942408275
Energy: 0.9419220118731227
Energy: 0.9094386395230769
Energy: 0.9419220118769104
Energy: 0.8288482636081018
Energy: 0.9269334600584123
Energy: 0.8708205077103552
Energy: 0.9269334600584123
Energy: 0.7739393414811735
Energy: 0.8360706290514208
Energy: 0.8376184943295917
Energy: 0.8360706290552082
Energy: 0.7743343023500061
Energy: 0.8328799614729868
Energy: 0.8288616935245798
Energy: 0.8328799614729868
Energy: 0.8268262005531879
Energy: 0.8265149255122982
Energy: 0.8695962151108406
Energy: 0.8265149255122982
Energy: 0.8355972068565874
Energy: 0.8381115542856405
Energy: 0.828388481246549
Energy: 0.8381115542875341
Energy: 0.8444681525032554
Energy: 0.9278183660683607
Energy: 0.8716211159841356
Energy: 0.927818366066467
Energy: 0.8270105910564054
Energy: 0.933026505802221
Energy: 0.907340391366854
Energy: 0.933026505802221
Energy: 0.7743876172968893
Energy: 0.8330354851885906
Energy: 0.8386850469948172
Energy: 0.8330354851885906

minimum gb energy = 0.7739393414811735 eV
minimum distance =  2.27841747802547 Angstroms
sigma value = 9


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

Energy: 0.8035951204356407
Energy: 0.7721095399816921
Energy: 0.9065620602903397
Energy: 0.6184976482960021
Energy: 0.7774443632739462
Energy: 1.2182804233823339
Energy: 0.7844928264447604
Energy: 1.218280423381633
Energy: 0.8225351834303204
Energy: 0.7912571094358642
Energy: 0.7536309661621162
Energy: 0.7912571094428731
Energy: 0.8079587659061426
Energy: 0.7900429116946506
Energy: 0.7773393815036398
Energy: 0.7900429116953513
Energy: 0.8973410250026167
Energy: 1.0358942814144505
Energy: 0.7372000287017499
Energy: 1.0358942812603167
Energy: 0.7988172124387102
Energy: 1.0094706910819242
Energy: 0.7657653201965752
Energy: 1.0094706910896343
Energy: 0.9067252808712001
Energy: 0.7360087175082237
Energy: 0.794390408926454
Energy: 0.7360087175110273
Energy: 0.9082656159940669
Energy: 0.7335099893282384
Energy: 0.7619935569435347
Energy: 0.7335099893282384
Energy: 0.7832061880277563
Energy: 1.1939017857582066
Energy: 0.8811065720446202
Energy: 1.1939017857575056
Energy: 0.9715235273472204
Energy: 1.0632331151361878
Energy: 0.7619403133824577
Energy: 1.063233113529729
Energy: 0.7903181149864121
Energy: 0.7772401045658215
Energy: 0.8305442098783521
Energy: 0.7772401045637187
Energy: 0.8296790101979813
Energy: 0.7762251366511629
Energy: 0.7800370043001146
Energy: 0.7762251366476584
Energy: 0.8980207500054466
Energy: 0.7763509911025704
Energy: 0.8246910288289823
Energy: 0.7763509910997668
Energy: 0.8939239311514404
Energy: 0.7788870691664616
Energy: 0.8043214591219384
Energy: 0.7788870691636578
Energy: 0.7566589109603769
Energy: 1.1611255036920713
Energy: 0.7857431765514582
Energy: 1.1611255036983796
Energy: 0.7590294298357547
Energy: 1.0125254964203088
Energy: 0.7675905317961913
Energy: 1.0125254964210095
Energy: 0.7574201070038891
Energy: 1.1910360156152695
Energy: 0.801675689789126
Energy: 1.1910360156194748
Energy: 0.7482979534577976
Energy: 0.739364286937631
Energy: 0.7759107465491419
Energy: 0.7393642869425373
Energy: 0.785504251351161
Energy: 1.1980081983463702
Energy: 0.8170974617742839
Energy: 1.1980081784048593
Energy: 0.7528812420643789
Energy: 0.7876542468814806
Energy: 0.8006226904952193
Energy: 0.7876542468814806
Energy: 0.7848706292855911
Energy: 0.8158529801385961
Energy: 0.8258214701481376
Energy: 0.8158529801329889
Energy: 0.7642812233089371
Energy: 1.011036131435295
Energy: 0.9007795675115986
Energy: 1.0110361319369467
Energy: 0.750803966145878
Energy: 1.0092754884048842
Energy: 0.8009846358442801
Energy: 1.0092754884034827
Energy: 0.7965468293466236
Energy: 0.7356654138092775
Energy: 0.9067753023553214
Energy: 0.7356654138106793
Energy: 0.7655411410312651
Energy: 0.7369172101504966
Energy: 0.9049869611382368
Energy: 0.7369172101504966
Energy: 0.7859525317883467
Energy: 1.1550987097855208
Energy: 0.7824252709376431
Energy: 1.15509870978482
Energy: 0.7630322685698986
Energy: 1.0425465163133993
Energy: 0.9716672793467478
Energy: 1.0425465117700496
Energy: 0.8302012337122777
Energy: 0.784666958111091
Energy: 0.7966612971025736
Energy: 0.7846669581061847
Energy: 0.7810629800698872
Energy: 0.8177798792832641
Energy: 0.8341983332995484
Energy: 0.8177798792832641
Energy: 0.8201479352055874
Energy: 0.7758673835422728
Energy: 0.8992523129705282
Energy: 0.7758673835436746
Energy: 0.8014428742257353
Energy: 0.7807627499854632
Energy: 0.7668102860089581
Energy: 0.7807627499847622
Energy: 0.784092928258599
Energy: 0.984979048348283
Energy: 0.7351932358974571
Energy: 0.9849703204731688
Energy: 0.7678524613843498
Energy: 1.1959811949735508
Energy: 0.758921631401737
Energy: 1.1959811949770554
Energy: 0.7677346159006136
Energy: 1.1882808044253086
Energy: 0.7651810296201825
Energy: 1.1882808044288131
Energy: 0.7950623722292742
Energy: 0.736332581382545
Energy: 0.752854048933829
Energy: 0.7363325813797414

minimum gb energy = 0.6184976482960021 eV
minimum distance =  2.23808643997865 Angstroms
sigma value = 73


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

Energy: 0.8176838978913208
Energy: 0.7491862548702265
Energy: 0.6201472431003123
Energy: 0.6283665974607731
Energy: 0.7679548041831185
Energy: 0.806545311144356
Energy: 0.7631405449573163
Energy: 0.8065452562676846
Energy: 0.7618131647965355
Energy: 0.7614409177100756
Energy: 0.7349090515856544
Energy: 0.7614409177411874
Energy: 0.7648985398050723
Energy: 0.7649498517932365
Energy: 0.7725476447974978
Energy: 0.7649497971310864
Energy: 0.8708959153951985
Energy: 0.9915119310748667
Energy: 0.7342846498895098
Energy: 0.9915119311248829
Energy: 0.703908024151778
Energy: 1.0252972025160767
Energy: 0.743516185319517
Energy: 1.0252972025238611
Energy: 0.7985031770333963
Energy: 0.8925045723821685
Energy: 0.7409110497233883
Energy: 0.8925045723854792
Energy: 0.7990951776210397
Energy: 0.7691499277764876
Energy: 0.764398604541959
Energy: 0.7691499277764876
Energy: 0.7432956124093943
Energy: 1.131487061942154
Energy: 0.7700413327109816
Energy: 1.131487062106659
Energy: 0.8511799217176397
Energy: 1.0354517656565916
Energy: 0.7342623737053057
Energy: 1.0354517656532556
Energy: 0.7771695787233747
Energy: 0.7823131633381807
Energy: 0.7886201718901658
Energy: 0.7823131633381807
Energy: 0.7580340106258616
Energy: 0.7574633955671659
Energy: 0.7397774458186267
Energy: 0.7574633955627177
Energy: 0.7352083491836716
Energy: 0.9774675964677091
Energy: 0.7663825712945912
Energy: 0.9774675964677091
Energy: 0.7354057057413734
Energy: 0.9162537088827412
Energy: 0.8182895226083453
Energy: 0.9162537088883014
Energy: 0.7786429340092218
Energy: 0.886557366555172
Energy: 0.7161470889389178
Energy: 0.8866081071502543
Energy: 0.7190095234944496
Energy: 0.7142779870123925
Energy: 0.7258466830895451
Energy: 0.7142613711488905
Energy: 0.7482612423830814
Energy: 1.1567713950895093
Energy: 0.7439598570397348
Energy: 1.1567713950883973
Energy: 0.6653562391184833
Energy: 0.6807007142316305
Energy: 0.7937559966799167
Energy: 0.680700538498505
Energy: 0.754361845618008
Energy: 1.025513838332693
Energy: 0.7975753513899104
Energy: 1.025513838342701
Energy: 0.8697055407287821
Energy: 0.9817901897701291
Energy: 0.7155766266434105
Energy: 0.9793657991803328
Energy: 0.7327261341096845
Energy: 0.9828544970231923
Energy: 0.7322915753841818
Energy: 0.9828544478654
Energy: 0.8211241823396725
Energy: 0.756501838784611
Energy: 0.7518608008049827
Energy: 0.7565018387857231

minimum gb energy = 0.6201472431003123 eV
minimum distance =  2.26721629136786 Angstroms
sigma value = 7


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

Energy: 0.7531493473979598
Energy: 0.7442293851512662
Energy: 0.8866269306537571
Energy: 0.706625940953696
Energy: 0.7188403380151389
Energy: 0.9492133398012265
Energy: 0.7142477499222181
Energy: 0.9492133375769258
Energy: 0.7170913357152376
Energy: 0.7218419569846385
Energy: 0.7263249501126375
Energy: 0.7218448068300292
Energy: 0.719005856092776
Energy: 0.7149908323363927
Energy: 0.7193830979774122
Energy: 0.7149908323379652
Energy: 0.7141628151068041
Energy: 0.714689152620318
Energy: 0.7307822066147298
Energy: 0.7146891526234633
Energy: 0.7215005275616063
Energy: 0.9453830997121327
Energy: 0.7318901663372325
Energy: 0.9453830997176013
Energy: 0.6215948394660435
Energy: 0.9272263014931266
Energy: 0.7288992412578758
Energy: 0.9272263014931266
Energy: 0.8058901464290883
Energy: 0.980869515174347
Energy: 0.8095596158440804
Energy: 0.9808695119392604
Energy: 0.7160756704654762
Energy: 0.8139476678306133
Energy: 0.7127553389120967
Energy: 0.8139476678400492
Energy: 0.7131661342604552
Energy: 1.1829386356552751
Energy: 0.7297103197347536
Energy: 1.1829386356489846
Energy: 0.717872497614387
Energy: 0.9376213735522837
Energy: 0.7074083726204395
Energy: 0.9376213735459932
Energy: 0.7205225642129248
Energy: 0.7153224027338851
Energy: 0.7259941431818502
Energy: 0.7153224027432853
Energy: 0.7201144450318667
Energy: 0.974786862379991
Energy: 0.7236766281132255
Energy: 0.9747868624538699
Energy: 0.7207436871692008
Energy: 0.7622117657023629
Energy: 0.7374200736245968
Energy: 0.7622117657180895
Energy: 0.5626383883621432
Energy: 0.9731408605780507
Energy: 0.7394550901250105
Energy: 0.9731408601111878
Energy: 0.6854629304563425
Energy: 0.7113602518719474
Energy: 0.7223742440421722
Energy: 0.7113602518632979
Energy: 0.7368569030203175
Energy: 0.7128442366350282
Energy: 0.7123072184298106
Energy: 0.7128442366397462
Energy: 0.7165914424368047
Energy: 1.13593735445957
Energy: 0.8726730356009779
Energy: 1.1359373544603564
Energy: 0.8192258480987654
Energy: 0.715231638554166
Energy: 0.715984346610803
Energy: 0.7152316385510208
Energy: 0.8173033399225048
Energy: 0.8026321782641225
Energy: 0.5985159802630319
Energy: 0.8026321782719857
Energy: 0.7314656409137994
Energy: 0.9437936961082973
Energy: 0.7286983626847833
Energy: 0.9437936961035794
Energy: 0.8050633879549973
Energy: 0.9457232092645128
Energy: 0.7182595055593262
Energy: 0.9457232092637264
Energy: 0.7033688270826883
Energy: 0.7115521001055864
Energy: 0.7294100874344501
Energy: 0.7115521110220373
Energy: 0.7213211230827581
Energy: 0.7170960541976824
Energy: 0.721639033268846
Energy: 0.7170960541976824
Energy: 0.713304232681781
Energy: 0.712418850355643
Energy: 0.7231498582497771
Energy: 0.7124188503650789
Energy: 0.7216950393782625
Energy: 1.155620486194388
Energy: 0.41475877082231233
Energy: 1.155620486186525
Energy: 0.7172295829816343
Energy: 0.7157807668648276
Energy: 0.7554912455956984
Energy: 0.7157807668640414
Energy: 0.7212314966952125
Energy: 0.9160175856037605
Energy: 0.4166197082377485
Energy: 0.9160175856084785
Energy: 0.7165510527610435
Energy: 0.9905062667711559
Energy: 0.7234819099281721
Energy: 0.9905080450939989
Energy: 0.7243961195590842
Energy: 0.9453275474230919
Energy: 0.7365241902337919
Energy: 0.945327547449827
Energy: 0.70505264255224
Energy: 0.7114718550703396
Energy: 0.7318368079996485
Energy: 0.7114718550789892

minimum gb energy = 0.41475877082231233 eV
minimum distance =  2.27689947440085 Angstroms
sigma value = 29


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

Energy: 1.0251605354586668
Energy: 0.6652035465782432
Energy: 0.8179837653259928
Energy: 0.35620908718532224
Energy: 0.650453181813186
Energy: 0.6658667936878039
Energy: 0.341456263390402
Energy: 0.6658667936907255
Energy: 0.3434891702263071
Energy: 1.0048906867707397
Energy: 0.8673606186893259
Energy: 1.004890682899627
Energy: 0.6472352513907804
Energy: 0.3134018229202661
Energy: 0.3693407147281706
Energy: 0.313401822926444
Energy: 0.36694632634105023
Energy: 0.3158489517725931
Energy: 0.64987153839301
Energy: 0.31584895176991495
Energy: 0.3589044638291177
Energy: 0.4554065581182822
Energy: 0.646943892251393
Energy: 0.4554065581182822
Energy: 0.8663515121432278
Energy: 0.3127090410397668
Energy: 0.3422195668162611
Energy: 0.3127090412908718
Energy: 0.3328087445392005
Energy: 1.0110353262756098
Energy: 0.651288554360275
Energy: 1.0110353262796268
Energy: 0.6504936090070357
Energy: 0.31750111532844966
Energy: 0.25933665669537787
Energy: 0.3175011153319495

minimum gb energy = 0.25933665669537787 eV
minimum distance =  2.29765688322846 Angstroms
sigma value = 5


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

Energy: 0.9443018978832215
Energy: 0.5246682608705171
Energy: 0.7419478939200896
Energy: 0.4100010020053481
Energy: 0.48004556292101846
Energy: 0.5555854314570025
Energy: 0.7278141319454473
Energy: 0.555585431462202
Energy: 0.6898390597932327
Energy: 0.9335144278493659
Energy: 0.35208174473829623
Energy: 0.9335144278589546
Energy: 0.5770394017163039
Energy: 0.9005294300125927
Energy: 0.6467669993248301
Energy: 0.8528631070671449
Energy: 0.6025959494934299
Energy: 0.5160899338111111
Energy: 0.9274979118942213
Energy: 0.5160899338103684
Energy: 0.5621408071595301
Energy: 0.5177474502017693
Energy: 0.9272005024093876
Energy: 0.5177474502017693
Energy: 0.557614505270158
Energy: 0.5116566081959147
Energy: 0.8171205652228094
Energy: 0.5116566081988858
Energy: 0.5844353192214407
Energy: 0.968093141752385
Energy: 0.33183928822900516
Energy: 0.96809314177244
Energy: 0.5428532880717334
Energy: 0.8154380733047477
Energy: 0.894518589613539
Energy: 0.8154380733047477
Energy: 0.8795920082573776
Energy: 0.8169866175291705
Energy: 0.5706271300175819
Energy: 0.8168511911027648
Energy: 0.48855759134071425
Energy: 0.5551771827683323
Energy: 0.5932049928794738
Energy: 0.5551771827727888
Energy: 0.9130951630686647
Energy: 0.5390143071867474
Energy: 0.5559787551150529
Energy: 0.5390143071845191
Energy: 0.9044682829465135
Energy: 0.7924528683636495
Energy: 0.6984441266745357
Energy: 0.7923781715428255
Energy: 0.2074782890917442
Energy: 1.1126539251385799
Energy: 0.7444051597294041
Energy: 1.1126539251385799
Energy: 0.5853404007463797
Energy: 0.8251558984440717
Energy: 0.7440412268221204
Energy: 0.8251649245262753
Energy: 0.6133592330496845
Energy: 0.5123106420697878
Energy: 0.6215615280785745
Energy: 0.5123106427112789
Energy: 0.5105785432059201
Energy: 0.4896393252001626
Energy: 0.731377139352737
Energy: 0.4896393251986771
Energy: 0.7251114204118885
Energy: 0.5303368355655224
Energy: 0.4324426768985088
Energy: 0.5303368355640369
Energy: 0.3119346594527191
Energy: 0.9378562516799933
Energy: 0.7121664163343023
Energy: 0.9378562519109301
Energy: 0.6691222115854918
Energy: 0.8847741289554644
Energy: 0.5694438699285452
Energy: 0.8811176797846836
Energy: 0.9270797669333598
Energy: 0.5188566111870245
Energy: 0.6682722230073633
Energy: 0.518856611189253
Energy: 0.9217093363131637
Energy: 0.5106590209434286
Energy: 0.5590481039761431
Energy: 0.5106590209419432
Energy: 0.8313744053340247
Energy: 0.5147565599195449
Energy: 0.5650191650621
Energy: 0.5147565599188022
Energy: 0.413269108733575
Energy: 0.960169670679444
Energy: 0.5824436055761487
Energy: 0.960169670244378
Energy: 0.8880970695610072
Energy: 1.1174944803548088
Energy: 0.4899910268563572
Energy: 1.1174944807550318
Energy: 0.5175512749113411
Energy: 0.34541843701300246
Energy: 0.8850047271513444
Energy: 0.3369786359019187
Energy: 0.591558460087093
Energy: 0.5582990927599062
Energy: 0.5317115062119436
Energy: 0.5582990927606488
Energy: 0.5559556481940003
Energy: 0.5607085168787941
Energy: 0.534633426495987
Energy: 0.5607085168765656
Energy: 0.6981170602804913
Energy: 0.763821211562404
Energy: 0.8615774287745751
Energy: 0.7638210391968482
Energy: 0.7435133180144995
Energy: 1.062119450018674
Energy: 0.2507124089379206
Energy: 1.0621194500105033
Energy: 0.7484306593279423
Energy: 0.8559227156936252
Energy: 0.5859700087281747
Energy: 0.8559227156899113
Energy: 0.8625387202327991
Energy: 0.5128332698696838
Energy: 0.5920942766995604
Energy: 0.5128332696134924
Energy: 0.7448507595665054
Energy: 0.499490923347465
Energy: 0.5203564403278316
Energy: 0.49949092334152273

minimum gb energy = 0.2074782890917442 eV
minimum distance =  2.2224910544466 Angstroms
sigma value = 1


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

Energy: 0.9267219305246376
Energy: 0.5031575821162082
Energy: 0.2526303256878534
Energy: 0.21401324307122882
Energy: 0.4516993017412664
Energy: 0.4216198307330686
Energy: 0.3693459325092584
Energy: 0.42161983071971737
Energy: 0.44259272863634463
Energy: 0.870589166626068
Energy: 0.32379195661917054
Energy: 0.8963235807183672
Energy: 0.48977326133358084
Energy: 0.8669737768413586
Energy: 0.7237372418211425
Energy: 0.8669588661984189
Energy: 0.4423294231178135
Energy: 0.48342969287087995
Energy: 0.531837130172098
Energy: 0.483429692872934
Energy: 0.4964599425438051
Energy: 0.4797111614138657
Energy: 0.5441956973220663
Energy: 0.47971116141797376
Energy: 0.4865070784896508
Energy: 0.4680966360437455
Energy: 0.32381982734764553
Energy: 0.4680966360375834
Energy: 0.23696927166899626
Energy: 0.9292801719929892
Energy: 0.46878507024416605
Energy: 0.9292803973094249
Energy: 0.4201675473289981
Energy: 0.2973697199165322
Energy: 0.4070182104231339
Energy: 0.2973696657357761
Energy: 0.7144420443374687
Energy: 0.2262277734270539
Energy: 0.47837848287696794
Energy: 0.21611822778964773
Energy: 0.48184857402589143
Energy: 0.18897772669728014
Energy: 0.4361443421337912
Energy: 0.18897772669111806
Energy: 1.0212976500931605
Energy: 0.48567006072890606
Energy: 0.4969722939151691
Energy: 0.48567006072787905
Energy: 0.9370974603477159
Energy: 0.47495452449145176
Energy: 0.4519696795643806
Energy: 0.47495452449042475
Energy: 0.4094421468740558
Energy: 0.8968772859635571
Energy: 0.3514368727614439
Energy: 0.8968455882113571
Energy: 0.48754186084355994
Energy: 0.49737113913283776
Energy: 0.35628489374728045
Energy: 0.49737113913591885
Energy: 0.5005708077817977
Energy: 0.7444010104583811
Energy: 0.37349280913608385
Energy: 0.7444010101617137
Energy: 0.14724307705639622
Energy: 0.4160574178434172
Energy: 0.4948526375386537
Energy: 0.4160574178249309
Energy: 0.48357280791317186
Energy: 0.446417827756692
Energy: 0.7142473777218881
Energy: 0.44641782770842225
Energy: 0.4862275982476439
Energy: 0.1568452513643239
Energy: 0.4369745528078029
Energy: 0.1568452537346287
Energy: 0.21671988227463768
Energy: 0.9103532193525515
Energy: 0.46358091915483224
Energy: 0.9098314628338288
Energy: 0.7313693364852935
Energy: 0.7741000418678273
Energy: 0.38019607601574673
Energy: 0.7741000423923986
Energy: 0.7095427468378018
Energy: 0.46658367469156653
Energy: 0.49408570766557014
Energy: 0.4665836746905395
Energy: 0.5238567746341215
Energy: 0.48350488990643564
Energy: 0.49991523554125683
Energy: 0.4835048898971925
Energy: 0.9334846108714768
Energy: 0.4622637480492363
Energy: 0.4883779163569572
Energy: 0.46226374805231735

minimum gb energy = 0.14724307705639622 eV
minimum distance =  2.22036373937267 Angstroms
sigma value = 17


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

Energy: 0.670887002994566
Energy: -0.01451488190224844
Energy: -0.11801569655628241
Energy: -0.057159350421824136
Energy: -0.10675006166305738
Energy: -0.11717711206795238
Energy: 0.6058249314526278
Energy: -0.1171771119810456
Energy: 0.7473336155810979
Energy: 0.8084113136160082
Energy: -0.2595099678792712
Energy: 0.8084113682460982
Energy: -0.11154939964172864
Energy: 1.152813455336934
Energy: -0.2167479704171532
Energy: 1.1528134553343947
Energy: 0.2880535368434567
Energy: -0.4250203818034901
Energy: 0.4565569298262265
Energy: -0.42401624130239424
Energy: -0.364163748246364
Energy: -0.41879777279940894
Energy: 0.06871038834006306
Energy: -0.41879777271821517
Energy: -0.3426729722479775
Energy: -0.37339342716869495
Energy: -0.16649572020313985
Energy: -0.37339342722899876
Energy: -0.3256632341260764
Energy: -0.38753245561616434
Energy: 0.2548174310686946
Energy: -0.388912306833415
Energy: 0.5100051566810687
Energy: -0.35276650252295577
Energy: -0.14789285670109295
Energy: -0.35287363898568025
Energy: -0.01671953877182368
Energy: 1.1169494766953076
Energy: 0.5955436498724143
Energy: 1.1217709633012558
Energy: 0.20073271475555882
Energy: 0.962092197522704
Energy: 0.42806798078446884
Energy: 0.9620921971597268
Energy: 0.06012899601555723
Energy: -0.35505052691954353
Energy: 0.5242675238011061
Energy: -0.35621216917874254
Energy: 0.20040124197713372
Energy: -0.4124136692460661
Energy: -0.3823561143563737
Energy: -0.41241366923971823
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Energy: -0.345380780777709
Energy: -0.44450591508698395
Energy: -0.3453807798754597
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Energy: -0.3215033863905846
Energy: -0.3050995941291785
Energy: -0.32141748169449547
Energy: -0.028673428412590584
Energy: 0.8452289111035027
Energy: -0.07412970706651503
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Energy: -0.39828674945532716
Energy: 0.9348234557739341
Energy: 0.030376332304313938
Energy: 0.9348234557694908
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Energy: -0.4138375679670435
Energy: -0.07938107172549504
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Energy: -0.4610637241742357
Energy: 0.31956346758336446
Energy: -0.46106372416471414
Energy: 0.6137114000389067
Energy: 0.8533588538370309
Energy: -0.07678434486835486
Energy: 0.8533588394897941
Energy: 0.6168199738341603
Energy: -0.17064042649050412
Energy: 0.7726942744921497
Energy: -0.17064099289635984
Energy: -0.23793446094818463
Energy: 1.1212463625132651
Energy: 0.7737762925948891
Energy: 1.1212463625158042
Energy: 0.4553382552278835
Energy: -0.40782791070145313
Energy: 0.14796246307795555
Energy: -0.40782793975434534
Energy: -0.03565854549403483
Energy: -0.26984913064068805
Energy: -0.390928018976351
Energy: -0.2698591050753815
Energy: -0.14447202915540697
Energy: -0.44287261701553887
Energy: -0.29555174136989115
Energy: -0.442872617012365
Energy: 0.09227272824828822
Energy: -0.4165695909899782
Energy: -0.3392156186852026
Energy: -0.4289759302366346
Energy: 0.01871292318656333
Energy: -0.07376627386478173
Energy: -0.06311426144187693
Energy: -0.0737660955614311
Energy: 0.5975649247090877
Energy: 1.126038997307875
Energy: 0.6354898295673542
Energy: 1.1260389973059706
Energy: 0.4350909699670809
Energy: 0.949015918134203
Energy: 0.2097414700150082
Energy: 0.9490159181919678
Energy: 0.00724550951351582
Energy: -0.33722279237077685
Energy: 0.2217397189161274
Energy: -0.3372227925871782
Energy: -0.42066066512214434
Energy: -0.42249462684117195
Energy: 0.21094901434322666
Energy: -0.42249462679927663
Energy: -0.34789645795233354
Energy: -0.36091351450935666
Energy: -0.2724375276931419
Energy: -0.3609134980518314
Energy: -0.3204441318833469
Energy: 0.9460152176122307
Energy: 0.7981438067791597
Energy: 0.9460152180893525
Energy: -0.08960320428319414
Energy: -0.45322323897362415
Energy: -0.030583636568497233
Energy: -0.45606073498723865
Energy: 0.009037077845686265
Energy: 0.9233098648926021
Energy: -0.2609304557638162
Energy: 0.9232759339702342
Energy: -0.07949636131764361
Energy: -0.33421056014510125
Energy: -0.40845049439280345
Energy: -0.3313845657416671
Energy: 1.0497765032265227
Energy: -0.3671624354227887
Energy: -0.33959856552039025
Energy: -0.36716243524637837

minimum gb energy = -0.4610637241742357 eV
minimum distance =  2.16357925338528 Angstroms
sigma value = 89


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

Energy: -0.07455294590313194
Energy: 1.275078733416375
Energy: -0.10489273827382525
Energy: 0.7131890038744332
Energy: -0.12055805354981061
Energy: -0.2737359584915087
Energy: -0.19257017307206037
Energy: -0.2799250447293115
Energy: 0.2772347511858072
Energy: -0.23449796047964652
Energy: -0.1452518041389067
Energy: -0.23417799625755917
Energy: 0.3927722067726194
Energy: -0.09841192780503379
Energy: -0.16705042644184406
Energy: -0.09835189392247763
Energy: -0.15767200844588544
Energy: -0.42004395711639414
Energy: 0.5103927010562694
Energy: -0.41994008711105646
Energy: -0.41372650433039926
Energy: 0.09716761634680422
Energy: 0.25207936455099605
Energy: 0.0971676163667351
Energy: -0.33562134392447673
Energy: -0.40196868836031685
Energy: -0.20179430086400912
Energy: -0.39042195075829894
Energy: -0.11315665928588456
Energy: -0.1517392025285834
Energy: -0.20409122829053228
Energy: -0.14566593694100222
Energy: -0.1709189637814141
Energy: -0.32296125268749454
Energy: -0.08035881085464379
Energy: -0.32322419362600174
Energy: -0.3543551530234436
Energy: 0.8538604487551048
Energy: -0.16701353853442785
Energy: 0.8538469237535596
Energy: -0.05096428350159983
Energy: -0.017482227060898275
Energy: 0.3816616521693276
Energy: -0.01748222690979369
Energy: 0.3758415937812674
Energy: -0.2557262834453275
Energy: -0.14927758840069358
Energy: -0.2557264607362643
Energy: 0.09167614638305295
Energy: -0.44815302225824616
Energy: -0.442512840256478
Energy: -0.4486503207800014
Energy: -0.1455914973796741
Energy: -0.08648720928806154
Energy: 0.15812385915483418
Energy: -0.08648720934117274
Energy: -0.09188599451425301
Energy: -0.10446751214054081
Energy: -0.08844974224467873
Energy: -0.10446751143828009

minimum gb energy = -0.4486503207800014 eV
minimum distance =  2.2110232632773 Angstroms
sigma value = 13


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

Energy: 0.5026182991534922
Energy: -0.5112398229027755
Energy: -0.619469212085032
Energy: -0.9395014876761663
Energy: -0.3262253306504714
Energy: -0.8386745911957041
Energy: -0.7630958934547233
Energy: -0.8386745794270337
Energy: -0.4158581611291993
Energy: 0.6727735635560809
Energy: -0.7487103641129591
Energy: 0.6597006617913841
Energy: -0.43548995760934445
Energy: -0.8169795627064099
Energy: -0.6617232509931988
Energy: 0.6816397819372482
Energy: -0.8113046034759956
Energy: -0.8749102428931043
Energy: -0.39891335514827175
Energy: -0.8749103117531786
Energy: -0.7075757283854506
Energy: 0.7160944938716075
Energy: -0.48018893818639735
Energy: 0.716094493869519
Energy: -0.677950394009021
Energy: -0.853838708228914
Energy: -0.6655716640245447
Energy: -0.9073955076903477
Energy: -0.6313067758450248
Energy: -0.9394035488328677
Energy: -0.2511715512617364
Energy: -0.9394035788916437
Energy: -0.9721649379157546
Energy: -0.9356117547076517
Energy: -0.3089273402212464
Energy: -0.9349074786244626
Energy: -0.8926421628766475
Energy: -0.7669133067236839
Energy: -0.664852706154283
Energy: -0.766913308433356
Energy: -0.9135545262623033
Energy: 0.8639777277354986
Energy: -0.24096329352293172
Energy: 0.8668676838370112
Energy: -0.5217205371278526
Energy: -0.8759475037259726
Energy: -0.6649657881331095
Energy: -0.8759475061133749
Energy: -0.7316363119961088
Energy: 0.4616341479490845
Energy: -0.7026257124790392
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Energy: -0.5042747647237008
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Energy: -0.2828268204258914
Energy: -0.9160019690460032
Energy: -0.754850229440559
Energy: -0.9160019778434577
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Energy: -0.8520199303627074
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Energy: -0.965971768488561
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Energy: -0.9609489436999313
Energy: -0.74010313412783
Energy: -0.7761526729426772
Energy: -0.4194635566834681
Energy: -0.7761523880794061
Energy: -0.8810699429729585
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Energy: -0.38601375858663434
Energy: -0.925433383218459
Energy: -0.8397808576493796
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Energy: -0.28966147433784634
Energy: -0.9503383485565648
Energy: -0.9639548968506564
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Energy: -0.196727958476149
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Energy: -0.9856291440870109
Energy: -0.868902647066236
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Energy: -0.9490762943310417
Energy: -0.2693163314996571
Energy: -0.9383687623152676
Energy: -0.744987846678188
Energy: -0.8765574573705855
Energy: -0.4857511118311484
Energy: -0.8765015081681805
Energy: -0.6476463667511748
Energy: 1.0488665251033806
Energy: -0.7282032254306956
Energy: 1.0488665251221132
Energy: -0.664807704126049
Energy: 1.0370212523717468
Energy: -0.6604332859827141
Energy: 1.0370212179681315
Energy: -0.46025765100077926
Energy: -0.830576508737265
Energy: -0.7106444667566371
Energy: -0.830610195029244
Energy: -0.46753997628082433
Energy: -0.9140941673805923
Energy: -0.9080374548226366
Energy: -0.9137862387769391
Energy: -0.4962189424309005
Energy: -0.8709574151066509
Energy: -0.8899014511480268
Energy: -0.8709574281000324
Energy: -0.2681015656217992
Energy: -0.9486350761257104
Energy: -0.9279629232541585
Energy: -0.948621446029123

minimum gb energy = -0.9856291440870109 eV
minimum distance =  2.14742904086242 Angstroms
sigma value = 37


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

Energy: 0.7469820627623429
Energy: 0.21456029322838358
Energy: -0.4726017960450567
Energy: -0.43735189802504676
Energy: -0.06918462686419698
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Energy: 0.7469820630173432
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Energy: -0.21532579986764236
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Energy: -0.12416213092786936
Energy: -0.19202204969951148
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Energy: 0.6550707335770499
Energy: -0.1778116573636511
Energy: -0.3101162503913424
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Energy: -0.358260423938639
Energy: -0.1516050708730112
Energy: -0.3582604239362436
Energy: 0.11463984895810764
Energy: 0.12031771570182126
Energy: -0.05019980164334978
Energy: 0.22630843539144296
Energy: -0.0073333926541768145
Energy: -0.6280602817758264
Energy: 0.45854861350906306
Energy: -0.6280602535694725
Energy: 0.19054833655193312
Energy: -0.43852620897155303
Energy: -0.39526563097704476
Energy: -0.438526208905707
Energy: 0.09039114441782503
Energy: -0.6344550601341468
Energy: -0.26705663505930743
Energy: -0.6344538113978212
Energy: -0.06914674766740579
Energy: -0.6472424842951695
Energy: -0.49959163318386235
Energy: -0.6472424841371555

minimum gb energy = -0.7007760593139988 eV
minimum distance =  2.22396595703868 Angstroms
sigma value = 25


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

Energy: 0.5919218792719183
Energy: 0.059359023866478774
Energy: -0.8863381730697568
Energy: -0.8835207138792798
Energy: -0.4594585190460947
Energy: -1.060377505256714
Energy: -0.8676173749059204
Energy: -1.051273539465665
Energy: -0.30509100276595547
Energy: -1.0710235196044777
Energy: -0.821117105411506
Energy: -1.0710235197484625
Energy: -0.3459421972737928
Energy: -0.08819213734401891
Energy: -0.5602474287920982
Energy: -0.1058723331801622
Energy: -0.3891246091211003
Energy: -1.0303823676898913
Energy: -0.7779926911709647
Energy: -1.0398551418313058
Energy: -0.6812917731794692
Energy: 0.31702940040154104
Energy: -0.6540798563489902
Energy: 0.3544223489967217
Energy: -0.4843472667437181
Energy: 0.8952437844601402
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Energy: -0.5284425242567158
Energy: -0.07764140657538925
Energy: -0.42105708877825104
Energy: -0.07834276515750743
Energy: -0.8942883727281078
Energy: 0.6768226073858477
Energy: -0.49302399898040505
Energy: 0.676822607450337
Energy: -0.7777937317803388
Energy: -1.0647385938154612
Energy: -0.49242903257061893
Energy: -1.0647385937790292
Energy: -0.8876293166720446
Energy: -1.0894970300094735
Energy: 0.5332228576415207
Energy: -1.08943742324028
Energy: -1.0364615411929867
Energy: -1.0432178281585873
Energy: -0.4364348592708673
Energy: -1.0432178283090765
Energy: -1.0849728093240303
Energy: 0.16130482166926635
Energy: -0.468462939534257
Energy: 0.16130482167113683
Energy: -0.9348583522644925
Energy: -1.1024076561808944
Energy: -0.12320683831068911
Energy: -1.1024258984599975
Energy: -0.9051886080916197
Energy: 0.1747737120381765
Energy: -0.4646684908662638
Energy: 0.17477371396392688
Energy: -0.691872007767492
Energy: -1.1288351762087596
Energy: -0.29675838444610697
Energy: -1.1288358786897694
Energy: -0.5348034203285444
Energy: -0.6315171606191275
Energy: -0.35809195344511563
Energy: -0.6315181991296375
Energy: -0.6071705991712874
Energy: -0.5901080825796019
Energy: -0.40561294171739715
Energy: -0.5937965671009627
Energy: -0.6300623915403979
Energy: -0.14070903834766676
Energy: -0.6223611291016613
Energy: 0.101770047717358
Energy: -0.4380161645689459
Energy: 0.8713191873944984
Energy: -0.5146591153035494
Energy: 0.8713191873486715
Energy: -0.5203209930720955
Energy: -0.13098306747380004
Energy: -0.8686551898585378
Energy: -0.1189501063589209
Energy: -0.19302073389569363
Energy: 0.5992243319501637
Energy: 0.3251395366739679
Energy: 0.5992243534353314
Energy: -0.17916083078516734
Energy: -1.0850196482592036
Energy: -0.002736505161084436
Energy: -1.0850210125010826
Energy: -0.12678362506336702
Energy: -1.0914899640787743
Energy: -0.8684965191245374
Energy: -1.0914899640217246
Energy: -0.45614922713652417
Energy: 0.30230876485796326
Energy: 0.33988701515645686
Energy: 0.302308764857028
Energy: -0.17614356262050865
Energy: -1.0794946096949027
Energy: -1.0985779915077802
Energy: -1.0794946096696936

minimum gb energy = -1.1288358786897694 eV
minimum distance =  2.19962243331752 Angstroms
sigma value = 41


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

Energy: -0.3435440771824911
Energy: -0.23572501236418975
Energy: -1.1095600046957717
Energy: -1.4736936339451958
Energy: -0.6326443741616589
Energy: 0.17364653035958574
Energy: -1.3607797453596318
Energy: 0.17364631845153586
Energy: -0.7057535129145716
Energy: -1.34762867337547
Energy: -1.3993284811454358
Energy: -1.3476286733286984
Energy: -0.5055993666960735
Energy: -0.11473094394537976
Energy: -0.9826631822477141
Energy: -0.11473094551804537
Energy: -0.8382941366383171
Energy: 0.5245125187142345
Energy: -1.166757684364148
Energy: 0.5245081883168723
Energy: -0.9915705094586345
Energy: 0.7601708319545192
Energy: -1.262000613565135
Energy: 0.7601708319506855
Energy: -0.7903104206827285
Energy: 0.7798904978920157
Energy: -0.8442719557363434
Energy: 0.779890497891249
Energy: -0.929288284819117
Energy: -0.2162743862501929
Energy: -0.7583901625122952
Energy: -0.21627444966412496
Energy: -1.0289191260284118
Energy: 0.1449820883681096
Energy: -0.9315225329408784
Energy: -0.5681647209871052
Energy: -1.104193886636416
Energy: 0.37137248410182316
Energy: -0.7784747717494027
Energy: 0.37137245225534427
Energy: -0.4616215055150615
Energy: -1.2776361779954533
Energy: -0.7884174969969027
Energy: -0.19427460309320196
Energy: -1.4083476592982156
Energy: 0.22831844311888488
Energy: -0.7792057929594703
Energy: 0.2283196736695481
Energy: -0.6255570360335903
Energy: -1.5938587491800313
Energy: -0.5706319069934924
Energy: -1.5938587473222403
Energy: -1.5204556833062453
Energy: -0.2798610303437397
Energy: -0.3882958756409779
Energy: -0.2798610303406728
Energy: 0.2519871057804642
Energy: 0.2029312803206246
Energy: -0.8271180558812535
Energy: 0.2029312803175576
Energy: -0.2211778521428578
Energy: -0.29862513501546606
Energy: -0.423835425628188
Energy: -0.29862513501393256
Energy: -1.3390759474005207
Energy: -0.35738978073863337
Energy: -0.6198854055219496
Energy: -0.3573897807401669
Energy: -1.334004641422741
Energy: 0.12429640720038353
Energy: -0.7944437909122402
Energy: 0.0795917433086697
Energy: -1.2796781465263791
Energy: -0.48939387759430014
Energy: -0.6018685406037335
Energy: -0.4893938739975647
Energy: -0.7557214312608244
Energy: 0.17823364051819873
Energy: -0.5030233190061317
Energy: 0.17823364050363058
Energy: -1.0656059867740924
Energy: -0.9034516212532515
Energy: -0.9696695491757807
Energy: -0.6699606051469802
Energy: -1.049124457723196
Energy: 0.5185261121304813
Energy: -0.9402719168251589
Energy: 0.5185256636001035
Energy: -0.8955440483759542
Energy: 0.7738707754133225
Energy: -0.7987564211492226
Energy: 0.7738707754171562
Energy: -0.8165069472079312
Energy: 0.7672121776823492
Energy: -1.1289629437374422
Energy: 0.7672121776808157
Energy: -0.8949869769446671
Energy: -1.398888484782719
Energy: -0.9093545356055548
Energy: -1.432172813224612
Energy: -0.7213212443493517
Energy: -1.4437219839169906
Energy: -1.0505752060037645
Energy: 0.059906482901593665
Energy: -0.7484157307626473
Energy: 0.14440579625802988
Energy: -1.2627951214904451
Energy: 0.1444557342632748
Energy: -0.8528464880453164
Energy: -0.1362196274357492
Energy: -1.302822692952016
Energy: -0.01565998197378635
Energy: -0.3875898406281936
Energy: -0.3943671406458042
Energy: -0.9808372358364753
Energy: -0.39436714064120376
Energy: -0.4211441934442705
Energy: -0.3882649793760631
Energy: -1.246622194749367
Energy: -0.3882649793898646
Energy: -0.7506275727535803
Energy: 0.14850332221709095
Energy: 0.2618057633234837
Energy: 0.14850332221939117
Energy: -0.5447839993244364
Energy: -0.3033229906365941
Energy: -0.4786976724238964
Energy: -0.3033229906289267

minimum gb energy = -1.5938587491800313 eV
minimum distance =  2.22925568184505 Angstroms
sigma value = 15


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

Energy: -0.7580063946360284
Energy: -0.36127884194813326
Energy: -1.516728338291894
Energy: -1.5716316332110047
Energy: -0.9989987744135452
Energy: -0.5179922437452584
Energy: -1.658629917200579
Energy: -0.5179610989172966
Energy: -1.1649705039124512
Energy: -0.702116358466237
Energy: -1.645331407489568
Energy: -0.7021163542181762
Energy: -0.9738084762314765
Energy: -0.30619867843583604
Energy: -1.4162406331396196
Energy: -0.28563257860710556
Energy: -1.2376691159810351
Energy: -0.27819370111813446
Energy: -1.6849077939288926
Energy: -0.27820313690600573
Energy: -1.1958782759662914
Energy: 0.19117556872747093
Energy: -1.5811394709322024
Energy: 0.1915309945127885
Energy: -1.2064761496304157
Energy: 0.6571509918920375
Energy: -1.172138905269238
Energy: 0.6571509918926871
Energy: -1.2264376980736522
Energy: 0.7029372962201584
Energy: -1.1985705857453206
Energy: 0.702937296222107
Energy: -1.4085678376512993
Energy: 0.7141840258994223
Energy: -1.3844473683136729
Energy: 0.7141840258994223
Energy: -1.398371840516246
Energy: 0.7167080749091911
Energy: -1.330814881607976
Energy: 0.716708074907892
Energy: -1.4895942738566412
Energy: 0.34301907981614077
Energy: -1.1581477690003426
Energy: 0.3430190893685941
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Energy: -0.8483531813887214
Energy: -1.2598783674256628
Energy: -1.1998989579290587
Energy: -1.6401218291738138
Energy: 0.34150200736996844
Energy: -1.0557484613161066
Energy: 0.3415094632317725
Energy: -1.585192736916757
Energy: -0.23150447372828173
Energy: -0.9142065347628742
Energy: -1.8447907774351648
Energy: -1.856650268550211
Energy: 0.3169333414085418
Energy: -1.1226351602878666
Energy: 0.3169333517589274
Energy: -1.5119997759389403
Energy: -0.6023481754801603
Energy: 0.37100384307233136
Energy: -0.6023481754801603
Energy: -1.6379670599674174
Energy: -0.5095616936787535
Energy: -0.6000773551241766
Energy: -0.5095616936761552
Energy: -0.3485816089814324
Energy: -0.7767104515190647
Energy: -1.245592629473794
Energy: -0.7767104519592767
Energy: -0.5093137381245852
Energy: -0.5562187795584574
Energy: -0.8614594965100003
Energy: -0.5562187795376722
Energy: -1.6026571908712481
Energy: -0.5988492478293987
Energy: -0.7193734341811865
Energy: -0.5988492478053657
Energy: -1.7397366732490347
Energy: -0.6795468498402844
Energy: -1.2317733832887097
Energy: -0.6700877019504956
Energy: -1.732555738347234
Energy: -0.4691160883402113
Energy: -0.8574691434993361
Energy: -0.4695094622463464
Energy: -1.0570591846996575
Energy: -1.357901013768118
Energy: 1.0850762625408317
Energy: -1.3579011102958387
Energy: -1.7278703162304054
Energy: 0.6463843109551752
Energy: -1.2912995043745128
Energy: 0.6463843109460816
Energy: -1.2569848358572986
Energy: -1.3646500402375599
Energy: -0.9663543898706429
Energy: -1.3650803212623344
Energy: -1.3822677531947105
Energy: -1.6787460164158021
Energy: -1.388455711910219
Energy: -1.76660397421683
Energy: -1.3715272171529012
Energy: 0.6693922324291851
Energy: -1.304646740392706
Energy: 0.6693922324265869
Energy: -1.3656545335953543
Energy: -0.29106592797685915
Energy: -1.3935264381857009
Energy: -0.29106373888796
Energy: -1.1739716969531813
Energy: 0.6914739648222206
Energy: -1.4376346401127635
Energy: 0.6914739648209215
Energy: -1.05414816539143
Energy: 0.1558156106177086
Energy: -1.4501479810225737
Energy: 0.15581562070384886
Energy: -1.270021748492129
Energy: -0.2100022645566751
Energy: -1.4262145293408703
Energy: 0.4250612465689041
Energy: -0.9019960381872295
Energy: -0.22956581457474573
Energy: -1.3767276036185947
Energy: -0.22945810247280443
Energy: -0.923640979953439
Energy: 0.4578216518573579
Energy: -1.6638970557232136
Energy: 0.45782165129060337
Energy: -1.1195932868474348
Energy: -1.6798707374114805
Energy: -1.7359297324874778
Energy: -1.6798707392527537
Energy: -0.8250718376876096
Energy: -0.42185033527958427
Energy: -1.4556985407747098
Energy: -0.42185033526594384
Energy: -0.8901213359051363
Energy: 0.48025098248946035
Energy: -1.4386593553818967
Energy: 0.4802509829192797
Energy: -0.8428266232022331
Energy: -0.1762190751993236
Energy: -0.13431015973065158
Energy: -0.17621907519672542

minimum gb energy = -1.856650268550211 eV
minimum distance =  2.24173614539465 Angstroms
sigma value = 85


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

Energy: 0.8099860835730059
Energy: -0.4024538631667729
Energy: -1.0533753607351453
Energy: -0.6605121393046284
Energy: -0.13231681320438918
Energy: -0.8127926395682745
Energy: -0.8308236068211181
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Energy: -0.7341899867902778
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Energy: -0.5091185666777577
Energy: -0.5737558118683705
Energy: -0.5079751866191227
Energy: -0.2386824181644924
Energy: 0.5119678725196629
Energy: -0.4908167063177402
Energy: 0.5119678725174095
Energy: -0.3163494586561856
Energy: -0.8816181884431523
Energy: -0.4565154952413672
Energy: -0.8966949343471604
Energy: -0.44894274859134287
Energy: -0.5050549273525808
Energy: -0.46376040374809324
Energy: -0.5050593458474888
Energy: -0.3122383588301204
Energy: 0.5456018843864076
Energy: -0.22282820806565737
Energy: 0.5456018843875343
Energy: -0.3838937584358443
Energy: 0.581347737269323
Energy: -0.46646235809547454
Energy: 0.5813477372715765
Energy: -0.4913618643793948
Energy: -1.024411464984819
Energy: -0.38206602366942327
Energy: -0.9951695954088203
Energy: -0.38752202843904787
Energy: 0.4860652174746141
Energy: 0.015649151756910215
Energy: 0.4860652174763041
Energy: -0.5814078855506769
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Energy: -0.2250129385042013
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Energy: -0.17001838582930637
Energy: -0.8071016842179916
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Energy: -0.33224052768999407
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Energy: -0.8718921181119524
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Energy: -0.592752769799098
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Energy: -0.6406125187204924
Energy: -0.37417490527819686
Energy: -0.1847561630534099
Energy: -0.5223623340270512
Energy: -0.508309917899373
Energy: -0.3653140004176695
Energy: -0.3562996138999241
Energy: -0.3677421402245078
Energy: -0.2861246710759795
Energy: 0.5515522022580378
Energy: -0.404108866154292
Energy: 0.5515522022586011
Energy: -0.4467747752567774
Energy: 0.5622743165537362
Energy: -0.3514325473121076
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Energy: -0.2924475951961536
Energy: -0.21570692771006136
Energy: -0.39030301446062315
Energy: -0.2157070155624496
Energy: -0.23750531175975997
Energy: -0.8300044464921837
Energy: -0.5113596357454311
Energy: -0.6110599175312533
Energy: -0.16710262443873253
Energy: -0.38706060920916
Energy: -0.492813403093714
Energy: -0.27622256566474773
Energy: -0.2376036516199474
Energy: -0.6970918864831728
Energy: -0.5913926790353456
Energy: -0.7413221763137195
Energy: -0.055316453411120854
Energy: 0.14739196062368515
Energy: -0.4927823463082589
Energy: 0.1473919601872693
Energy: -0.11057094370052666
Energy: -0.1066603030482237
Energy: -0.7528207026149335
Energy: -0.10666125847535453
Energy: -0.01631665278298224
Energy: 0.2026656472799283
Energy: -0.9179643265312634
Energy: 0.20265989742152346
Energy: 0.17925614185036146
Energy: -0.9801183712077547
Energy: -0.7745736558258075
Energy: -0.9801276128271732
Energy: 0.08637891819697327
Energy: -0.9700368253550669
Energy: -0.3987732497291705
Energy: -0.9700368252846739
Energy: -0.11487337808950489
Energy: -0.8453356523595513
Energy: -0.8484419125163007
Energy: -0.8453356521427645
Energy: 1.1756363624495136
Energy: -0.5120284022742796
Energy: -0.7259577848109245
Energy: -0.5120284023080806

minimum gb energy = -1.0533753607351453 eV
minimum distance =  2.22633889346136 Angstroms
sigma value = 113


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

Energy: 0.017107017554729383
Energy: 0.017614900854976766
Energy: 1.1517852161979059
Energy: 0.3187581154284358
Energy: -1.4440667367860063
Energy: -3.9893962960883145
Energy: -3.0345958348265643
Energy: -2.160987898414751
Energy: -1.439978577524294
Energy: -2.5437529541012203
Energy: -3.283872827738532
Energy: -2.5508090888480073
Energy: 0.018760508645194005
Energy: -1.493300263446419
Energy: -1.4275190276016865
Energy: -1.5231635583714467
Energy: -2.527021569809695
Energy: -2.3624879705694073
Energy: -3.2238123052899916
Energy: -2.2955879276066384
Energy: -1.4255018781949382
Energy: -0.8957620577083335
Energy: -1.1316966558187376
Energy: -0.8957620795371923

minimum gb energy = -3.9893962960883145 eV
minimum distance =  2.38203257360584 Angstroms
sigma value = 1