Model name: model_name=MEAM_LAMMPS_KimSeolJi_2017_PtCu__MO_070797404269_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.917371600866318
cohesive_energy=5.770453791788741
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.01899882608769518
Energy: 0.019496033026736186
Energy: 1.1969830365600855
Energy: 0.019496033026736186
Energy: 0.019496033026736186
Energy: 1.0145657784557958
Energy: 0.019496033026736186
Energy: 1.0145657784557958
Energy: 1.196983036559581
Energy: 0.019496033026736186
Energy: 0.01899882608769518
Energy: 0.019496033026736186
Energy: 0.019496033026736186
Energy: 1.0145657784557958
Energy: 0.019496033026736186
Energy: 1.0145657784557958

minimum gb energy = 0.01899882608769518 eV
minimum distance =  2.67921870834503 Angstroms
sigma value = 1


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

Energy: 1.5931146140136012
Energy: 1.4926702680941042
Energy: 1.328356871580431
Energy: 1.4926702680941042
Energy: 1.5770455324443777
Energy: 1.7368793301958145
Energy: 1.5232557534283429
Energy: 1.7368793301964622
Energy: 1.3428200506353951
Energy: 1.5371197304113373
Energy: 1.583760858357571
Energy: 1.5371197304100417
Energy: 1.4373253988499757
Energy: 1.8299403130043626
Energy: 1.4770630208224933
Energy: 1.8299403130043626
Energy: 1.4375413744279897
Energy: 1.9470270543120989
Energy: 1.501251141354617
Energy: 1.9470270543120989
Energy: 1.3987056922279504
Energy: 1.9751631761684252
Energy: 1.3524136576648793
Energy: 1.9751631761684252
Energy: 1.48245153555985
Energy: 1.9587074572264713
Energy: 1.656788639580844
Energy: 1.9587074572264713
Energy: 1.352295563505652
Energy: 1.7407077934456017
Energy: 1.291848636971923
Energy: 1.740707793444954
Energy: 1.5901158310513583
Energy: 2.000223821061144
Energy: 1.6682410610538683
Energy: 2.000223821061144
Energy: 1.4112072648679062
Energy: 1.676320198217699
Energy: 1.3493908308807363
Energy: 1.6763201982171103
Energy: 1.6947083727419403
Energy: 1.9526157994288467
Energy: 1.3832398389298028
Energy: 1.9526157994281987
Energy: 1.3433636487563434
Energy: 1.7128627764673499
Energy: 1.4199591653288208
Energy: 1.7128627764673499
Energy: 1.4546118683469689
Energy: 1.8435941202388277
Energy: 1.6277666332677423
Energy: 1.8435941202394757
Energy: 1.5101525012436385
Energy: 1.7214590055798296
Energy: 1.4164135383631737
Energy: 1.7214590055798296
Energy: 1.4588994838260296
Energy: 1.728808031736557
Energy: 1.6439918429740867
Energy: 1.728808031736557
Energy: 1.4576015186513116
Energy: 1.7347832946829513
Energy: 1.649240722852852
Energy: 1.7347832946823036
Energy: 1.5834603534016805
Energy: 1.6055244995372322
Energy: 1.3484647212778345
Energy: 1.6055244995352889
Energy: 1.5232427136246982
Energy: 1.849614810128786
Energy: 1.7690198372707169
Energy: 1.8496148101281382
Energy: 1.208292906026597
Energy: 1.5564805637852854
Energy: 1.4184120508112545
Energy: 1.556480563786581
Energy: 1.5783010538481437
Energy: 1.9960717154514318
Energy: 1.3089765349372235
Energy: 1.9960717154520795
Energy: 1.4155089107374985
Energy: 1.6250808266264123
Energy: 1.3644309582505996
Energy: 1.6250808266244687
Energy: 1.659857020876577
Energy: 1.9790401378707003
Energy: 1.5490244668773085
Energy: 1.9790401378707003
Energy: 1.5344202566794616
Energy: 1.739847910040467
Energy: 1.5645852083130143
Energy: 1.7398479100411146
Energy: 1.441339666489411
Energy: 1.9603071752269403
Energy: 1.641030487683215
Energy: 1.9603071752275882
Energy: 1.5141306131525614
Energy: 1.9750909361200306
Energy: 1.6290614674873571
Energy: 1.9750909361206785
Energy: 1.4328605454935115
Energy: 1.8071933245484493
Energy: 1.3138222198561307
Energy: 1.8071933245484493
Energy: 1.504968300012859
Energy: 1.8615333961804728
Energy: 1.3347206847798212
Energy: 1.8615333961804728
Energy: 1.5322395948966419
Energy: 1.5896933031626912
Energy: 1.57861003180314
Energy: 1.5896933031620435
Energy: 1.6649011143481849
Energy: 1.7352431982925147
Energy: 1.5271615288601896
Energy: 1.7352431982938101
Energy: 1.5938054249711975
Energy: 1.7499744893071598
Energy: 1.4035616595532274
Energy: 1.7499744893078075
Energy: 1.5758919957327389
Energy: 1.7280251303944676
Energy: 1.5231122708373266
Energy: 1.7280251303938199
Energy: 1.5371956009407883
Energy: 1.524595382984985
Energy: 1.5102718937519732
Energy: 1.5245953829843373
Energy: 1.4374209048992237
Energy: 1.8279629137621316
Energy: 1.5344163634303194
Energy: 1.8279629137614837

minimum gb energy = 1.208292906026597 eV
minimum distance =  2.53149638397475 Angstroms
sigma value = 1


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

Energy: 1.7272933861511612
Energy: 1.7912273072874885
Energy: 1.4928363252073982
Energy: 1.7912273072845342
Energy: 1.6015879168716207
Energy: 1.7785746752183242
Energy: 1.5990190438935776
Energy: 1.7785746752183242
Energy: 1.6382085890792484
Energy: 1.884271384617875
Energy: 1.5421144703698757
Energy: 1.884271384617875
Energy: 1.3750477536249448
Energy: 1.906929699628934
Energy: 1.4872453154385197
Energy: 1.9069296996333656
Energy: 1.3740068764163325
Energy: 2.026504727188344
Energy: 1.6464982203699883
Energy: 2.026504727186867
Energy: 1.5091944513934268
Energy: 1.7487964888895111
Energy: 1.5677418158784675
Energy: 1.748796488887295
Energy: 1.5416138535208417
Energy: 2.1071093384578585
Energy: 1.6725635034305122
Energy: 2.1071093384600745
Energy: 1.430907654767718
Energy: 1.6895030847151435
Energy: 1.455795656494795
Energy: 1.6895030847144052
Energy: 1.3158201979306288
Energy: 2.0721268304106353
Energy: 1.594751639431922
Energy: 2.0721268304106353
Energy: 1.513930769948962
Energy: 1.66762113054439
Energy: 1.331137680489253
Energy: 1.66762113054439
Energy: 1.657444813155607
Energy: 1.933797108746898
Energy: 1.5155686413765461
Energy: 1.933797108746898
Energy: 1.389562381930698
Energy: 1.7619727585368987
Energy: 1.5420910347638748
Energy: 1.761972758533206
Energy: 1.651853303895839
Energy: 1.785954757751145
Energy: 1.5271605009614073
Energy: 1.7859547577496675
Energy: 1.651462751985523
Energy: 1.785883909291156
Energy: 1.4494454067482343
Energy: 1.7858839092933716
Energy: 1.3898191120828214
Energy: 1.762295702473903
Energy: 1.5554037218545713
Energy: 1.7622957024761188
Energy: 1.6574553381117427
Energy: 1.933362722349755
Energy: 1.5987502369373003
Energy: 1.9333627223475394
Energy: 1.5139324922307051
Energy: 1.668219131589636
Energy: 1.271239094318036
Energy: 1.6682191315888975
Energy: 1.315936592699569
Energy: 2.071756521779721
Energy: 1.5942694759520781
Energy: 2.071756521779721
Energy: 1.4308795150115465
Energy: 1.6895050581558464
Energy: 1.3832181983336564
Energy: 1.6895050581580622
Energy: 1.5418438243684442
Energy: 2.1071947983883668
Energy: 1.7025984421231406
Energy: 2.107194798389105
Energy: 1.5094136304202914
Energy: 1.7492406317977107
Energy: 1.4096182679355334
Energy: 1.7492406317977107
Energy: 1.3746780351710945
Energy: 2.0265694950006874
Energy: 1.5621478093004224
Energy: 2.026569495001426
Energy: 1.3750275095496851
Energy: 1.9068586375037095
Energy: 1.4862186105682633
Energy: 1.9068586375037095
Energy: 1.6380606356421263
Energy: 1.8842716231992265
Energy: 1.5502102170888155
Energy: 1.8842716232014423
Energy: 1.601538647419168
Energy: 1.77951947111895
Energy: 1.5990324621177932
Energy: 1.7795194711196882
Energy: 1.7272933861511612
Energy: 1.7912273072867497
Energy: 1.4717327353095826
Energy: 1.7912273072852727
Energy: 1.6015879168716207
Energy: 1.7785746752183242
Energy: 1.599019043895055
Energy: 1.7785746752183242
Energy: 1.6382085890799867
Energy: 1.8842713846186137
Energy: 1.5287933145570138
Energy: 1.884271384617875
Energy: 1.3750477536256835
Energy: 1.906929699628934
Energy: 1.469943860072625
Energy: 1.906929699634104

minimum gb energy = 1.271239094318036 eV
minimum distance =  2.52301880747319 Angstroms
sigma value = 25


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

Energy: 1.6683611392998647
Energy: 1.596327713621341
Energy: 1.6540543810290658
Energy: 1.596327713621341
Energy: 1.725530201325361
Energy: 1.835677465121327
Energy: 1.4953129324907921
Energy: 1.835677465121327
Energy: 1.776352550792974
Energy: 1.9348483933530054
Energy: 1.4747800031613238
Energy: 1.9348483933530054
Energy: 1.4694961487725577
Energy: 1.9641527624959276
Energy: 1.616214821750659
Energy: 1.9641527624959276
Energy: 1.8655462257906164
Energy: 2.1262108486581965
Energy: 1.6686416098721764
Energy: 2.1262108486581965
Energy: 1.6271810103407476
Energy: 1.7168249203170256
Energy: 1.8480912655629556
Energy: 1.7168249203170256
Energy: 1.6057739117395684
Energy: 2.2229580917325142
Energy: 1.7149090664267164
Energy: 2.2229580917325142
Energy: 1.7110949123778183
Energy: 1.853464498455076
Energy: 1.5386839023477568
Energy: 1.853464498455076
Energy: 1.434553363927169
Energy: 2.032041570859884
Energy: 1.7862700400645564
Energy: 2.032041570859884
Energy: 1.6499317583579793
Energy: 1.9595625206581213
Energy: 1.4856645584978523
Energy: 1.9595625206581213
Energy: 1.7234865394762904
Energy: 1.8434611205285019
Energy: 1.7139730392950858
Energy: 1.8434611205293603
Energy: 1.7339603738858522
Energy: 1.8384586954336417
Energy: 1.7156996414082268
Energy: 1.8384586954336417
Energy: 1.4747562274486958
Energy: 1.8325205302703609
Energy: 1.4869045014751785
Energy: 1.8325205302703609
Energy: 1.9804003602913336
Energy: 2.017105469427734
Energy: 1.6861965489285178
Energy: 2.017105469427734
Energy: 1.545746737017127
Energy: 1.7127045004115935
Energy: 1.5353924524867484
Energy: 1.7127045004124521
Energy: 1.7294765834613424
Energy: 2.2183527654907307
Energy: 1.7491804519135374
Energy: 2.2183527654907307
Energy: 1.4444210332126848
Energy: 1.7749797982657236
Energy: 1.5284924072047865
Energy: 1.774979798264865
Energy: 1.876884302164324
Energy: 1.8818792780317484
Energy: 1.4585697306275265
Energy: 1.881879278032607
Energy: 1.4710694422359185
Energy: 1.9632013782406477
Energy: 1.620243867918502
Energy: 1.9632013782406477
Energy: 1.6841608954910188
Energy: 1.9861568440886657
Energy: 1.4791797487360425
Energy: 1.9861568440886657
Energy: 1.5776588322603666
Energy: 1.8360983775209716
Energy: 1.4756889706860825
Energy: 1.8360983775209716
Energy: 1.6692936348155807
Energy: 1.8232606570012897
Energy: 1.614392800002635
Energy: 1.8232606570012897
Energy: 1.7270046062546993
Energy: 1.848226822984904
Energy: 1.7126748833078524
Energy: 1.848226822984904
Energy: 1.472590613824945
Energy: 1.9193269810054254
Energy: 1.6499616621681874
Energy: 1.9193269810045668
Energy: 1.854548628810663
Energy: 1.9628667642857884
Energy: 1.5513113662369002
Energy: 1.9628667642857884

minimum gb energy = 1.434553363927169 eV
minimum distance =  2.53525667537111 Angstroms
sigma value = 9


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

Energy: 1.8328876943899222
Energy: 1.8939388431511566
Energy: 1.57826399913332
Energy: 1.8939388431511566
Energy: 1.5284531426573105
Energy: 1.8837208503460245
Energy: 1.7453417083181166
Energy: 1.8837208503470488
Energy: 1.572409757185417
Energy: 1.8763315166869299
Energy: 1.602173462915074
Energy: 1.876331516684881
Energy: 1.8244616861776466
Energy: 1.999834416127568
Energy: 1.7977530698565214
Energy: 1.999834416126544
Energy: 1.8055324344628125
Energy: 1.7085808168882906
Energy: 1.903897551353036
Energy: 1.7085808168872663
Energy: 1.5307759244392958
Energy: 1.8228823159992968
Energy: 1.9540936846696977
Energy: 1.8228823159972483
Energy: 1.6724498458352095
Energy: 1.8292167104195416
Energy: 1.8230491158964799
Energy: 1.8292167104195416
Energy: 1.6046811715276739
Energy: 1.6385760281666273
Energy: 1.6541520820421585
Energy: 1.6385760281676516
Energy: 1.7451906053158257
Energy: 1.8838584443127064
Energy: 1.7117925249486605
Energy: 1.8838584443127064
Energy: 1.6096090063843553
Energy: 1.8565340393292684
Energy: 2.159648130135233
Energy: 1.8565340393292684
Energy: 1.6080068928758093
Energy: 1.876178624880406
Energy: 1.5672776655535523
Energy: 1.876178624880406
Energy: 1.7718442852407805
Energy: 1.8170390791223503
Energy: 2.112362767470086
Energy: 1.8170390791213262
Energy: 1.6422097931392394
Energy: 2.0484939478368007
Energy: 1.4183712386867864
Energy: 2.0484939478368007
Energy: 1.4648912384789543
Energy: 1.4948087501831426
Energy: 1.652982418412802
Energy: 1.4948087501821186
Energy: 1.642211740823596
Energy: 2.0483570292554076
Energy: 1.5984358683526565
Energy: 2.0483570292543836
Energy: 1.7719308550998831
Energy: 1.8168597058202818
Energy: 2.1118285455248738
Energy: 1.8168597058213058
Energy: 1.6081993567648534
Energy: 1.8765568679343565
Energy: 1.6053542730902322
Energy: 1.876556867936405
Energy: 1.6095421720473615
Energy: 1.856409091048158
Energy: 1.9399807381622867
Energy: 1.8564090910491822
Energy: 1.7452154075695563
Energy: 1.8838763884432352
Energy: 1.8720692690801286
Energy: 1.8838763884432352
Energy: 1.6046571683856035
Energy: 1.7714787686288793
Energy: 1.6541497017948918
Energy: 1.7714787686299034
Energy: 1.672493417796841
Energy: 1.8288280606809768
Energy: 1.8230575979777388
Energy: 1.828828060682001

minimum gb energy = 1.4183712386867864 eV
minimum distance =  2.55612250501891 Angstroms
sigma value = 25


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

Energy: 1.8108473547474222
Energy: 1.8303655927931557
Energy: 1.7495673547866595
Energy: 1.8303655927944222
Energy: 2.013452738520346
Energy: 2.0271191075691024
Energy: 1.7969386312524611
Energy: 2.0271191075691024
Energy: 2.185721603439241
Energy: 1.9849783944972568
Energy: 1.6474414963907238
Energy: 1.9849783944972568
Energy: 1.851777003759781
Energy: 1.8116862684803567
Energy: 1.817077602028002
Energy: 1.8116862684803567
Energy: 1.675276460097834
Energy: 1.9043805033862826
Energy: 1.7730216720642151
Energy: 1.9043805033862826
Energy: 1.6393404971716707
Energy: 2.0869686735761857
Energy: 2.0292824948575228
Energy: 2.08696867357492
Energy: 2.1109077920550585
Energy: 2.019972003924171
Energy: 1.6006761806617824
Energy: 2.019972003924171
Energy: 1.8583714218488203
Energy: 1.8486597954350752
Energy: 1.65518176284792
Energy: 1.8486597954338084
Energy: 1.6470111317146297
Energy: 1.9416531840211848
Energy: 1.7870028823091852
Energy: 1.9416531840211848
Energy: 2.0094850732124874
Energy: 1.9418663217259533
Energy: 1.7585875811925866
Energy: 1.94186632172722
Energy: 1.510082117098634
Energy: 1.813268570859447
Energy: 1.861865532542159
Energy: 1.813268570859447
Energy: 1.8317843210361453
Energy: 1.5961086183546553
Energy: 1.8675098635807519
Energy: 1.5961086183546553
Energy: 1.7136772343290607
Energy: 1.9979867024507416
Energy: 1.7944030189516262
Energy: 1.9979867024520082
Energy: 1.8009268176536426
Energy: 1.9626685817185414
Energy: 1.8514107635850896
Energy: 1.9626685817185414
Energy: 1.78327417019839
Energy: 1.9069125150802073
Energy: 1.8995257094968712
Energy: 1.906912515081474
Energy: 1.7834676348536616
Energy: 1.9978290957812697
Energy: 1.639640685350096
Energy: 1.9978290957812697
Energy: 1.8293683494861686
Energy: 1.868499558845625
Energy: 1.8683745790436015
Energy: 1.868499558845625

minimum gb energy = 1.510082117098634 eV
minimum distance =  2.56344317039206 Angstroms
sigma value = 17


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

Energy: 1.7853268651267273
Energy: 1.8884710636304614
Energy: 1.9455734240677547
Energy: 1.888471063631179
Energy: 1.9726557405917589
Energy: 2.02499046992967
Energy: 1.8283452559571332
Energy: 2.024990469928953
Energy: 2.005609841764051
Energy: 1.8827160793599484
Energy: 1.7452191726705735
Energy: 1.8827160793606659
Energy: 1.8113689784036082
Energy: 1.9129999912476405
Energy: 1.8334478098958753
Energy: 1.9129999912476405
Energy: 1.9780655044807844
Energy: 2.0805051007602486
Energy: 1.935591576800378
Energy: 2.0805051007602486
Energy: 1.7507982377480902
Energy: 2.069773134525738
Energy: 2.182232343685743
Energy: 2.069773134526456
Energy: 1.7243783925431546
Energy: 2.0165206667479394
Energy: 1.7528778952486392
Energy: 2.0165206667479394
Energy: 1.7790833252100766
Energy: 1.9187629560258164
Energy: 1.746538015037351
Energy: 1.9187629560265338
Energy: 1.8126084886533291
Energy: 1.9581934425720529
Energy: 1.8477333955843231
Energy: 1.9581934425727703
Energy: 2.1101794404210623
Energy: 1.9667352636737105
Energy: 1.7970812886915999
Energy: 1.9667352636737105
Energy: 1.7395574434913434
Energy: 2.001241287410289
Energy: 2.0685594242184133
Energy: 2.001241287410289
Energy: 1.8478347620198892
Energy: 2.091849753738466
Energy: 1.7629496035121195
Energy: 2.091849753737749
Energy: 2.1998632967338434
Energy: 1.900841121209102
Energy: 1.7520785506261125
Energy: 1.900841121208385
Energy: 1.7413152951977524
Energy: 2.0622955997326895
Energy: 1.9690938513116703
Energy: 2.0622955997319714
Energy: 1.8989789335725689
Energy: 1.959826499330307
Energy: 1.9536943466877177
Energy: 1.959826499330307
Energy: 1.8388728077104894
Energy: 2.001042273413622
Energy: 1.71048565873006
Energy: 2.0010422734129047
Energy: 1.8372929574668047
Energy: 1.899540005218292
Energy: 2.018527550124716
Energy: 1.899540005218292
Energy: 2.12200109870658
Energy: 1.862675054795213
Energy: 1.7508488982002473
Energy: 1.8626750547944952
Energy: 1.672276524911098
Energy: 1.9928855236856444
Energy: 1.8052916150167537
Energy: 1.9928855236870793
Energy: 1.8299491572698887
Energy: 2.020301993374412
Energy: 1.8069560266901281
Energy: 2.020301993375847
Energy: 1.7381118627312826
Energy: 1.907845475200156
Energy: 1.9211150692743746
Energy: 1.9078454752015908
Energy: 1.7135999797961323
Energy: 2.1711108265660553
Energy: 2.0111955140000037
Energy: 2.171110826565338
Energy: 1.7559906614543543
Energy: 1.975629594483807
Energy: 1.6206053237894296
Energy: 1.9756295944845246
Energy: 1.8581574510272656
Energy: 2.016652957266292
Energy: 1.882068207025277
Energy: 2.0166529572655745
Energy: 1.829197451839061
Energy: 2.0425798844097285
Energy: 2.196203755839611
Energy: 2.0425798844090113
Energy: 1.8745413469969288
Energy: 1.9457811966187177
Energy: 1.7491015203659472
Energy: 1.9457811966187177
Energy: 1.7142524492064255
Energy: 2.14156062690766
Energy: 2.090242904531466
Energy: 2.14156062690766
Energy: 1.8454442926275567
Energy: 1.9993726861698846
Energy: 1.8392104575153836
Energy: 1.9993726861706018
Energy: 2.0147132910893655
Energy: 2.161985684680887
Energy: 1.841095601589327
Energy: 2.1619856846801704
Energy: 1.7462836950979328
Energy: 1.9705539387378903
Energy: 1.7750685350564268
Energy: 1.9705539387378903

minimum gb energy = 1.6206053237894296 eV
minimum distance =  2.51102976258002 Angstroms
sigma value = 53


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

Energy: 1.5522139689945575
Energy: 1.8364265296134965
Energy: 1.943403325818596
Energy: 1.8364265296134965
Energy: 2.0522559287875652
Energy: 1.9985951035212002
Energy: 1.4936623965199631
Energy: 1.9985951035245033
Energy: 1.7892974761226006
Energy: 1.5970802447320247
Energy: 1.8110878640957322
Energy: 1.597080244733676
Energy: 1.7893318125993876
Energy: 1.597354383827139
Energy: 1.6114397953712793
Energy: 1.5973543838287905
Energy: 2.0519896049142026
Energy: 1.9982259803911195
Energy: 1.741314515267975
Energy: 1.9982259803911195
Energy: 1.5522139689945575
Energy: 1.8364265296134965
Energy: 2.101431592482532
Energy: 1.836426529615148
Energy: 2.0522559287859137
Energy: 1.9985951035228515
Energy: 1.4936623965199631
Energy: 1.9985951035245033
Energy: 1.7892974761226006
Energy: 1.5970802447320247
Energy: 1.8110878640973835
Energy: 1.597080244733676
Energy: 1.7893318125993876
Energy: 1.597354383827139
Energy: 1.6055441132461916
Energy: 1.5973543838287905
Energy: 2.0519896049142026
Energy: 1.9982259803911195
Energy: 1.711563240469433
Energy: 1.9982259803911195
Energy: 1.5522139689945575
Energy: 1.8364265296134965
Energy: 2.1014315924726232
Energy: 1.836426529615148
Energy: 2.0522559287875652
Energy: 1.9985951035212002
Energy: 1.6316114193122186
Energy: 1.9985951035228515
Energy: 1.7892974761226006
Energy: 1.5970802447320247
Energy: 1.8110878640973835
Energy: 1.597080244733676

minimum gb energy = 1.4936623965199631 eV
minimum distance =  2.57154695195649 Angstroms
sigma value = 9


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

Energy: 1.6193853951975616
Energy: 1.9472439792802783
Energy: 2.101252454611151
Energy: 1.9472439792808895
Energy: 2.2377982938828223
Energy: 1.8591344290863518
Energy: 1.8117952273366642
Energy: 1.8591344290863518
Energy: 1.8290073402970561
Energy: 2.1251717595227624
Energy: 1.78999918361347
Energy: 2.125171759520928
Energy: 1.9608967669337345
Energy: 1.9973417119665335
Energy: 1.846239534597602
Energy: 1.997341711967756
Energy: 2.146477100436018
Energy: 1.9477824172718408
Energy: 1.764846743481129
Energy: 1.947782417272452
Energy: 1.6114365196897915
Energy: 1.9146178012365267
Energy: 2.153178602133238
Energy: 1.914617801237138
Energy: 2.328547639469217
Energy: 2.057507924204743
Energy: 2.0186976773325784
Energy: 2.0575079242090224
Energy: 1.9120158164016026
Energy: 1.9598053825316255
Energy: 2.04023719740309
Energy: 1.959805382535293
Energy: 2.0523151794461554
Energy: 1.9895366530130567
Energy: 1.782006732257805
Energy: 1.9895366530148906
Energy: 1.8668199669085148
Energy: 2.1834530204016307
Energy: 1.9777439776918078
Energy: 2.183453020402242
Energy: 1.833843877781526
Energy: 1.9831733510070422
Energy: 2.1730099564850063
Energy: 1.9831733510039857
Energy: 2.1242519140568406
Energy: 2.2310847390136748
Energy: 1.8033687751848766
Energy: 2.2310847390130637
Energy: 1.8408624663672122
Energy: 2.0953209430886295
Energy: 1.9907882927441167
Energy: 2.0953209430880184
Energy: 2.341420341215643
Energy: 1.988352981045814
Energy: 1.753256575509853
Energy: 1.988352981045814
Energy: 1.8574096203528976
Energy: 2.0604629332394935
Energy: 2.1430390187339308
Energy: 2.060462933234603
Energy: 1.757321397098541
Energy: 2.0386312724343347
Energy: 1.8332265310340603
Energy: 2.0386312724343347
Energy: 1.9644187898851613
Energy: 1.946696062638355
Energy: 1.9769848015241889
Energy: 1.9466960626352985
Energy: 1.8361230061568399
Energy: 1.972578579376505
Energy: 2.338346870030137
Energy: 1.9725785793783386
Energy: 2.119902500314039
Energy: 1.9513928050017206
Energy: 1.7769127117995105
Energy: 1.9513928050017206
Energy: 1.8091174440553708
Energy: 2.0581729829399995
Energy: 2.2128756713556563
Energy: 2.0581729829424447
Energy: 1.9192691580271568
Energy: 1.952453960507887
Energy: 1.8400947944224602
Energy: 1.9524539605097206
Energy: 2.07512870060093
Energy: 2.172398529168228
Energy: 1.8142628938463548
Energy: 2.1723985291706724
Energy: 1.73899378626077
Energy: 1.7839011755867211
Energy: 1.8460140332643795
Energy: 1.783901175588555
Energy: 2.1288521227873822
Energy: 1.929851198722348
Energy: 1.6863066135888571
Energy: 1.9298511987199585
Energy: 1.8950539798070556
Energy: 2.3467142504994065
Energy: 2.2557812485195945
Energy: 2.346714250498184
Energy: 1.7792003509725751
Energy: 2.0468320249758727
Energy: 1.6609402884028217
Energy: 2.046832024976484
Energy: 2.031221413343318
Energy: 2.0003532654967384
Energy: 2.1221851759707495
Energy: 2.0003532654942933
Energy: 1.8580567646940658
Energy: 1.9921095177588017
Energy: 2.0440889268118045
Energy: 1.9921095177612467
Energy: 1.787964613935389
Energy: 1.9050271587551906
Energy: 1.6610352662967123
Energy: 1.9050271587527456
Energy: 1.8845981655255868
Energy: 2.1966151552632907
Energy: 2.143769936759529
Energy: 2.1966151552632907
Energy: 1.9703983668107403
Energy: 1.9662159459413948
Energy: 1.7146571372539374
Energy: 1.9662159459383384
Energy: 1.8597396915644586
Energy: 1.9876764924941428
Energy: 1.9104029521965604
Energy: 1.9876764924910868
Energy: 1.7640376515392495
Energy: 2.1891768423363938
Energy: 1.8014825313722707
Energy: 2.1891768423370053
Energy: 1.9254386084202149
Energy: 2.00863682561551
Energy: 1.8737843423993163
Energy: 2.008636825618566
Energy: 1.825656255675921
Energy: 2.3213265630654685
Energy: 2.1259044984714675
Energy: 2.321326563064857

minimum gb energy = 1.6114365196897915 eV
minimum distance =  2.52546504181698 Angstroms
sigma value = 73


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

Energy: 1.5888795244298939
Energy: 1.9354171848448023
Energy: 2.2068637876139183
Energy: 1.9354171848448023
Energy: 2.0350805152899105
Energy: 2.157564283952905
Energy: 1.7613316167450341
Energy: 2.157564283952905
Energy: 2.1022266452709912
Energy: 1.7950569686288744
Energy: 1.6514218324060983
Energy: 1.7950569686288744
Energy: 1.8719910612217463
Energy: 2.0380722130332543
Energy: 1.9384949995759768
Energy: 2.038072213034224
Energy: 1.948531209104841
Energy: 1.9532443211144832
Energy: 1.7342218996617387
Energy: 1.9532443211125436
Energy: 1.750444392000839
Energy: 1.9342248019788524
Energy: 2.096777079533784
Energy: 1.9342248019788524
Energy: 2.2913241992080087
Energy: 2.1767709983786494
Energy: 2.098658936084068
Energy: 2.1767709983796193
Energy: 1.7618751897591978
Energy: 2.1061859437194634
Energy: 2.23878543276093
Energy: 2.1061859437184935
Energy: 2.2768244025925974
Energy: 1.7964768573533052
Energy: 1.6594834455129996
Energy: 1.7964768573523353
Energy: 1.7596067998697082
Energy: 1.8740405686539479
Energy: 1.8449208823482162
Energy: 1.8740405686539479
Energy: 1.6905142604892665
Energy: 1.8507697024835101
Energy: 2.1140491345641297
Energy: 1.85076970248448
Energy: 2.1757915824652447
Energy: 2.1938718098412076
Energy: 1.7587844937904122
Energy: 2.1938718098402377
Energy: 1.9210942488456744
Energy: 1.8846904574747205
Energy: 2.2896528490744714
Energy: 1.8846904574737509
Energy: 2.025698293761803
Energy: 1.942454704313439
Energy: 1.7080115419771151
Energy: 1.9424547043124691
Energy: 1.7375089467258047
Energy: 2.3350310803556815
Energy: 2.3902159397113865
Energy: 2.3350310803547116
Energy: 2.1354419248694487
Energy: 2.1194333907452103
Energy: 1.6604905029097368
Energy: 2.1194333907442404
Energy: 1.9975696593876195
Energy: 1.8318102168186523
Energy: 1.8285092135805308
Energy: 1.8318102168176824
Energy: 2.00137551503481
Energy: 1.8210755827708198
Energy: 1.8035916079426442
Energy: 1.8210755827698497
Energy: 1.7064204580224926
Energy: 2.026101875309787
Energy: 1.6606989245757857
Energy: 2.026101875309787
Energy: 1.7898829050625398
Energy: 2.3117448568666994
Energy: 2.20702107514942
Energy: 2.3117448568676693
Energy: 2.074734610845509
Energy: 1.9767370821162662
Energy: 1.7911713876830393
Energy: 1.976737082117236
Energy: 1.9062216159490704
Energy: 1.7851623853381045
Energy: 2.09499142214228
Energy: 1.7851623853381045

minimum gb energy = 1.5888795244298939 eV
minimum distance =  2.49961109826997 Angstroms
sigma value = 7


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

Energy: 1.5513344752032874
Energy: 1.9420810850252752
Energy: 2.2234382743919463
Energy: 1.942081085025961
Energy: 2.2510195085547875
Energy: 2.285159035073137
Energy: 1.7775862138367655
Energy: 2.2851590350724513
Energy: 1.7206344091676407
Energy: 2.201686148095015
Energy: 1.7809961974111854
Energy: 2.2016861480943293
Energy: 2.0243729592067647
Energy: 1.9785320778680486
Energy: 1.8486446778309262
Energy: 1.9785320778680486
Energy: 1.7908464856844033
Energy: 1.8541088842024456
Energy: 1.8278143029407958
Energy: 1.8541088842051887
Energy: 1.5525099584425528
Energy: 1.984984965732717
Energy: 2.090909135179198
Energy: 1.984984965734774
Energy: 2.278585408863617
Energy: 2.2339028784989337
Energy: 2.025288091061384
Energy: 2.233902878498248
Energy: 1.5528442966033462
Energy: 2.113400272514521
Energy: 2.243204234077768
Energy: 2.113400272514521
Energy: 2.18863768211451
Energy: 1.9437222127009373
Energy: 1.6798592365304092
Energy: 1.9437222126995657
Energy: 1.6221156027602142
Energy: 2.2794601095533
Energy: 2.248263736562416
Energy: 2.2794601095526144
Energy: 1.7507102672470312
Energy: 2.0394833602766402
Energy: 1.842715428749248
Energy: 2.039483360275269
Energy: 1.767627801275764
Energy: 2.1357491936430812
Energy: 1.8454339589557462
Energy: 2.1357491936444526
Energy: 1.7596521434092416
Energy: 1.9152371069330354
Energy: 1.8083950912102091
Energy: 1.9152371069330354
Energy: 1.8558244633175596
Energy: 1.9744388853228
Energy: 1.860933167182469
Energy: 1.9744388853241714
Energy: 1.753121660980223
Energy: 1.955731699256502
Energy: 2.2500526396985663
Energy: 1.955731699261302
Energy: 2.112525696763701
Energy: 1.9477353121157803
Energy: 1.675695510959289
Energy: 1.9477353121150944
Energy: 1.7899041541015694
Energy: 1.7603062372835538
Energy: 2.0683339086248105
Energy: 1.760306237282868
Energy: 1.8266450441119526
Energy: 2.2165208168145605
Energy: 1.9205118318184038
Energy: 2.2165208168145605
Energy: 1.7268841876649252
Energy: 1.8430237013631208
Energy: 1.9377452358974239
Energy: 1.8430237013638069
Energy: 1.6761261716591058
Energy: 1.8700083865069512
Energy: 1.948691807571356
Energy: 1.8700083865062656
Energy: 2.206736951710122
Energy: 1.942945847313988
Energy: 1.6506896896757823
Energy: 1.942945847314674
Energy: 1.6237780365152583
Energy: 1.9302005198035586
Energy: 2.1176648303938945
Energy: 1.93020051980493
Energy: 2.2343868347585003
Energy: 2.2034050543898127
Energy: 1.7795609680700377
Energy: 2.203405054391184
Energy: 1.5563212544280258
Energy: 1.9435170189301176
Energy: 2.2448348627284753
Energy: 1.9435170189308033
Energy: 2.2404807824367623
Energy: 2.1372180423857348
Energy: 1.7687085858916538
Energy: 2.137218042386421
Energy: 1.7600890837151124
Energy: 2.0212134042840857
Energy: 1.8612858148248816
Energy: 2.021213404282714
Energy: 1.7520729544511289
Energy: 1.9750702536523579
Energy: 1.943565856654743
Energy: 1.9750702536530438
Energy: 2.173953925371831
Energy: 1.8306725860701685
Energy: 1.675131010192379
Energy: 1.830672586069483
Energy: 1.6501349213129968
Energy: 2.0335242616342857
Energy: 2.094940189992639
Energy: 2.033524261635657
Energy: 2.237848430238309
Energy: 2.34156327647919
Energy: 1.8691364703005415
Energy: 2.34156327647919
Energy: 1.6501150559191948
Energy: 2.1262840228976385
Energy: 2.0145652879238476
Energy: 2.1262840228976385

minimum gb energy = 1.5513344752032874 eV
minimum distance =  2.5301621264857 Angstroms
sigma value = 29


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

Energy: 2.161882795159084
Energy: 1.309274785044417
Energy: 1.6927134738040925
Energy: 1.309274785044417
Energy: 2.1320244323069346
Energy: 1.986493907741491
Energy: 1.7190593066872506
Energy: 1.9864939077391555
Energy: 1.270469167793992
Energy: 1.5660167020388027
Energy: 2.1182821788178856
Energy: 1.5660167020364675
Energy: 1.7178984535501862
Energy: 1.7775102873931772
Energy: 1.7190109256593813
Energy: 1.7775102873955126
Energy: 1.7168157854933677
Energy: 1.540444924394509
Energy: 1.6778341541096673
Energy: 1.540444924394509
Energy: 1.7246821895164477
Energy: 1.8085127162649761
Energy: 1.7243489554360794
Energy: 1.8085127162649761
Energy: 1.269750157233358
Energy: 1.540431509982788
Energy: 1.7169329945099485
Energy: 1.540431509982788
Energy: 1.7189478950878343
Energy: 1.777710849553969
Energy: 1.7177760807184794
Energy: 1.777710849553969
Energy: 2.118209455112344
Energy: 1.5662458909776527
Energy: 1.3590298924047945
Energy: 1.5662458909659747

minimum gb energy = 1.269750157233358 eV
minimum distance =  2.52921451743428 Angstroms
sigma value = 5


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

Energy: 1.5260769657130047
Energy: 1.8508666323643714
Energy: 2.0872126481658997
Energy: 1.8508666323643714
Energy: 2.293114098208227
Energy: 2.0266352041925
Energy: 1.5282714234562582
Energy: 2.026635204191852
Energy: 1.5815620097210241
Energy: 1.7549074269640572
Energy: 2.0269525391626604
Energy: 1.7549074269647051
Energy: 1.4514678760370103
Energy: 1.6104552888316526
Energy: 1.5273353067627007
Energy: 1.6104552888323005
Energy: 1.5335958340960616
Energy: 1.7494161118926208
Energy: 2.1102599637641033
Energy: 1.7494161118822564
Energy: 1.818808358327631
Energy: 1.6657295434436963
Energy: 1.4021550731513357
Energy: 1.665729543446287
Energy: 1.5346854627399278
Energy: 1.7215796907797913
Energy: 1.447923653848765
Energy: 1.721579690780439
Energy: 1.5297625341975298
Energy: 2.2021062762309143
Energy: 1.4567041519335129
Energy: 2.2021062762309143
Energy: 1.9043557265671673
Energy: 1.765876512563169
Energy: 1.5366756909734338
Energy: 1.7658765125625213
Energy: 1.6441362815102136
Energy: 1.7206629752709206
Energy: 1.4310091783961763
Energy: 1.7206629752709206
Energy: 1.725359469753035
Energy: 2.2116455835922726
Energy: 1.561804501004753
Energy: 2.211645583590977
Energy: 1.5333600211426253
Energy: 1.9737818529315665
Energy: 1.5901200456190028
Energy: 1.9737818529315665
Energy: 1.5872203587806297
Energy: 1.8530076539007945
Energy: 1.4994281235089524
Energy: 1.8530076539007945
Energy: 1.780794054952401
Energy: 2.036671947113103
Energy: 2.275698057837575
Energy: 2.036671947113751
Energy: 2.241401063694366
Energy: 2.242776701411089
Energy: 1.561615263604375
Energy: 2.2427767014123843
Energy: 1.5091449098569012
Energy: 1.3137782564767075
Energy: 2.262467686756524
Energy: 1.3137782564767075
Energy: 2.1636266702782194
Energy: 1.802652390410494
Energy: 1.6181338280235158
Energy: 1.8026523904098464
Energy: 1.7620277717873418
Energy: 1.7994378019378536
Energy: 2.1800379099928446
Energy: 1.7994378019385013
Energy: 1.7655544905423666
Energy: 1.665755362040329
Energy: 1.5270780536423312
Energy: 1.6657553620390335
Energy: 1.672775533881434
Energy: 2.060472293813659
Energy: 1.6765837279812204
Energy: 2.0604722938143065
Energy: 1.396277546929384
Energy: 2.1203369541763197
Energy: 1.5296260278759943
Energy: 2.1203369541763197
Energy: 1.6489724288772993
Energy: 1.7187305052326434
Energy: 1.6455742528587345
Energy: 1.7187305052319954
Energy: 1.6549795001375336
Energy: 2.2075255937470977
Energy: 1.454409179185213
Energy: 2.2075255937464497
Energy: 1.592033142912812
Energy: 1.752577664089115
Energy: 1.5276030157526637
Energy: 1.752577664089115
Energy: 1.586599506326139
Energy: 1.7044122548763265
Energy: 1.4219412406688425
Energy: 1.7044122548769745
Energy: 2.0267822413121777
Energy: 1.8952039268637912
Energy: 1.9218984119027895
Energy: 1.8952039268637912
Energy: 1.4435171184850535
Energy: 1.7285575563452669
Energy: 1.6822087989509233
Energy: 1.7285575563459143
Energy: 2.1408837345470277
Energy: 2.021345128226082
Energy: 1.5090141721520334
Energy: 2.0213451282247865
Energy: 1.6925408614359072
Energy: 2.0733947399989163
Energy: 2.261046630535464
Energy: 2.073394740000212
Energy: 2.4299018591240373
Energy: 1.7562707733184448
Energy: 1.7617492496488016
Energy: 1.756270773319093
Energy: 1.400490907385732
Energy: 1.303137184683851
Energy: 2.1884782917837518
Energy: 1.303137184683851
Energy: 2.1451661817600716
Energy: 1.8369595030493762
Energy: 1.6927845743749643
Energy: 1.8369595030493762
Energy: 1.5126575214252354
Energy: 2.022228717569274
Energy: 1.3939002886388312
Energy: 2.022228717569274

minimum gb energy = 1.303137184683851 eV
minimum distance =  2.52289970860898 Angstroms
sigma value = 1


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

Energy: 1.406388754250976
Energy: 1.6417097177997804
Energy: 2.2154732107628896
Energy: 1.6417097177997804
Energy: 2.221474133211872
Energy: 2.0255303439069356
Energy: 1.4754607290639152
Energy: 2.0255303439078314
Energy: 1.25044973565926
Energy: 1.7848483731374485
Energy: 1.982084031888617
Energy: 1.7848483731374485
Energy: 1.4965984149296203
Energy: 1.8503390587039097
Energy: 1.4942876822354165
Energy: 1.8503390587039097
Energy: 1.2638623674648068
Energy: 1.7521044536087949
Energy: 2.2914148956646203
Energy: 1.7521044536078993
Energy: 1.262223471351196
Energy: 2.173225636577076
Energy: 1.575567238664631
Energy: 2.173225636577076
Energy: 1.334034179494347
Energy: 1.747992407734689
Energy: 1.5165239797586259
Energy: 1.747992407734689
Energy: 1.3263544638928657
Energy: 2.1978213025739226
Energy: 1.5816158165750864
Energy: 2.1978213025739226
Energy: 1.4422913427874777
Energy: 1.3610973866111264
Energy: 1.548434875017301
Energy: 1.3610973866111264
Energy: 1.4421461478242565
Energy: 1.7831935393843141
Energy: 1.4372679145873775
Energy: 1.7831935393843141
Energy: 1.4889312971907995
Energy: 2.2313896765688344
Energy: 1.6337879528908013
Energy: 2.2313896765688344
Energy: 1.2506289728723625
Energy: 1.7110240530591079
Energy: 1.514371979407711
Energy: 1.7110240530591079
Energy: 1.3347605451495677
Energy: 1.5754524246328057
Energy: 1.3400795383327233
Energy: 1.5754524246337014
Energy: 1.275419448199115
Energy: 1.7968716683963064
Energy: 2.014391621819544
Energy: 1.7968716683963064
Energy: 1.6981875368491903
Energy: 1.6518148997772237
Energy: 1.3389048009995723
Energy: 1.6518148997772237
Energy: 1.2505518521877064
Energy: 1.3932474046719865
Energy: 1.5344982979206563
Energy: 1.3932474046728822
Energy: 2.1960335673690867
Energy: 1.9706682812767211
Energy: 1.550114128067099
Energy: 1.9706682812776166
Energy: 1.406388754250976
Energy: 1.6417097178006759
Energy: 1.9048068010227936
Energy: 1.6417097177988846
Energy: 2.221474133211872
Energy: 2.0255303439069356
Energy: 1.4754607290639152
Energy: 2.0255303439078314
Energy: 1.25044973565926
Energy: 1.7848483731365528
Energy: 1.982084031888617
Energy: 1.7848483731365528
Energy: 1.4965984219297237
Energy: 1.8503390587039097
Energy: 1.4942876822354165
Energy: 1.850339058703014
Energy: 1.2638623674648068
Energy: 1.7521044536087949
Energy: 2.2914148956637246
Energy: 1.7521044536078993
Energy: 1.2622234713529874
Energy: 2.173225636577076
Energy: 1.575567238664631
Energy: 2.173225636576181
Energy: 1.334034179494347
Energy: 1.747992407734689
Energy: 1.456526584699942
Energy: 1.747992407734689

minimum gb energy = 1.25044973565926 eV
minimum distance =  2.49807866819659 Angstroms
sigma value = 17


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

Energy: 1.2626501392237999
Energy: 1.2628366312278303
Energy: 2.1420369098190015
Energy: 1.2628366312382981
Energy: 2.190423065652356
Energy: 1.666582874437018
Energy: 1.5266281628502463
Energy: 1.666582874437018
Energy: 1.6265379951060546
Energy: 1.4047192430250146
Energy: 1.7810579888720426
Energy: 1.4047192430244613
Energy: 1.5862352982454881
Energy: 1.6091817794892431
Energy: 1.3251439621548544
Energy: 1.6091817794903505
Energy: 1.542126480869854
Energy: 1.7570783258560372
Energy: 2.113324238303963
Energy: 1.757078325856591
Energy: 1.2685949187067533
Energy: 2.0944370238393506
Energy: 1.4349655819030496
Energy: 2.0944370238387973
Energy: 1.5312429648849304
Energy: 1.6983240809565254
Energy: 1.5761450073837364
Energy: 1.6983240809565254
Energy: 1.533177355645457
Energy: 1.7489516117743904
Energy: 1.4371854398963533
Energy: 1.748951611773837
Energy: 1.4729112903054895
Energy: 1.7614700857479286
Energy: 1.4676852136655598
Energy: 1.761470085749036
Energy: 1.4765842558685365
Energy: 1.979365735707225
Energy: 1.534161875220514
Energy: 1.9793657357077785
Energy: 1.4331270295958969
Energy: 2.1920646043688685
Energy: 1.550596746466131
Energy: 2.1920646043694223
Energy: 1.5328144279905664
Energy: 1.4147209224425907
Energy: 1.4386115319816086
Energy: 1.4147209224414836
Energy: 1.3536541741693395
Energy: 2.3688980525753087
Energy: 1.547957808229843
Energy: 2.3688980525753087
Energy: 1.4355649407986486
Energy: 1.7141438367202813
Energy: 1.5894698803296523
Energy: 1.714143836720835
Energy: 1.5290854057622347
Energy: 2.184265331511465
Energy: 1.478745852636255
Energy: 2.184265331510912
Energy: 1.7550522813292864
Energy: 1.7741797198499962
Energy: 1.8543468058190207
Energy: 1.7741797198505498
Energy: 1.8743215916067306
Energy: 1.6117567569185318
Energy: 1.4335043246290025
Energy: 1.6117567569196392
Energy: 1.414554875095686
Energy: 1.517275351545731
Energy: 2.003430389401092
Energy: 1.5172753515977686
Energy: 2.1717905107599917
Energy: 2.0907163245115408
Energy: 1.526943299645838
Energy: 2.0907163245115408
Energy: 1.4254599096365186
Energy: 1.2496564505664254
Energy: 2.348628400175376
Energy: 1.2496564505664254
Energy: 2.256568538761093
Energy: 1.7136348442133473
Energy: 1.4261935861667623
Energy: 1.713634844215008
Energy: 1.5344410193949845
Energy: 1.8214004946627491
Energy: 2.161021287234737
Energy: 1.8214004946627491
Energy: 1.583961983010168
Energy: 1.6202827652773553
Energy: 1.5354337702528362
Energy: 1.6202827652773553
Energy: 1.5286844027129405
Energy: 1.7426293255644867
Energy: 2.165734950858511
Energy: 1.7426293255639331
Energy: 1.8084616108224687
Energy: 1.5180045921332992
Energy: 1.3233711706390145
Energy: 1.5180045921338527
Energy: 1.5292191858212243
Energy: 1.6144904854785538
Energy: 1.5470499697655349
Energy: 1.614490485479661
Energy: 1.6981675241204377
Energy: 2.3857165214335194
Energy: 1.7572870180962494
Energy: 2.3857165214324128
Energy: 1.4817678947993442
Energy: 2.2382413383765196
Energy: 1.5275574251266544
Energy: 2.2382413383765196
Energy: 1.5881890759529906
Energy: 1.6057082854819575
Energy: 1.4381287639518627
Energy: 1.605708285481404
Energy: 1.528400785465489
Energy: 2.3295940067178416
Energy: 1.5860051253516314
Energy: 2.3295940067178416
Energy: 1.43577940939978
Energy: 1.3419133035389494
Energy: 1.5338318741085637
Energy: 1.3419133035361814
Energy: 1.5539717958654005
Energy: 2.1941031639280437
Energy: 1.4300174133251955
Energy: 2.19410316392749
Energy: 1.5333207519646406
Energy: 1.9755846814417262
Energy: 1.616869580276149
Energy: 1.9755846814378508
Energy: 1.470051996365798
Energy: 1.7605263371349902
Energy: 1.5368847612160332
Energy: 1.7605263371338833
Energy: 1.43463343249998
Energy: 1.7588308224763227
Energy: 1.6703274142646356
Energy: 1.7588308224763227
Energy: 2.024784100525815
Energy: 1.6981236235876411
Energy: 1.4322826851685788
Energy: 1.698123623588195
Energy: 1.5361894263389617
Energy: 2.0548183126409447
Energy: 1.3806235341252153
Energy: 2.0548183126403914
Energy: 2.173759431452438
Energy: 1.7570265993701735
Energy: 1.6477204617542258
Energy: 1.7570265993701735

minimum gb energy = 1.2496564505664254 eV
minimum distance =  2.48587426301995 Angstroms
sigma value = 89


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

Energy: 1.1236738128014117
Energy: 1.1243572560218331
Energy: 1.7427821855955496
Energy: 1.124357256018936
Energy: 1.9388333489695293
Energy: 1.1581550378338656
Energy: 1.3994829509277296
Energy: 1.158155037835314
Energy: 1.6704795557325745
Energy: 1.8141121230115484
Energy: 2.110786610907484
Energy: 1.8141121230115484
Energy: 1.6922774879612323
Energy: 1.158551352786483
Energy: 1.3995285353410691
Energy: 1.158551352786483
Energy: 1.402273782870567
Energy: 1.6899180207011189
Energy: 2.1577465004113883
Energy: 1.6899180206996705
Energy: 1.136910597481988
Energy: 1.1249847256559526
Energy: 1.1276656116255068
Energy: 1.124984725654504
Energy: 1.402737021143504
Energy: 1.7760898405109833
Energy: 1.9244875720447454
Energy: 1.776089840512432
Energy: 1.4442680611182144
Energy: 2.0579072350430048
Energy: 1.3995987962590377
Energy: 2.0579072350430048
Energy: 1.403855814002809
Energy: 1.2451335036487838
Energy: 1.28071742097281
Energy: 1.2451335036487838
Energy: 1.6837347898679418
Energy: 1.687252555494834
Energy: 1.4002224045240395
Energy: 1.687252555494834
Energy: 1.4020701681821812
Energy: 1.158745510690993
Energy: 1.4000710253638127
Energy: 1.1587455106924411
Energy: 1.9259567861054223
Energy: 1.775539996528949
Energy: 1.3999257622755124
Energy: 1.7755399965275003
Energy: 1.4041295645897711
Energy: 1.6255198621167566
Energy: 1.4199160018023596
Energy: 1.6255198621167566
Energy: 1.4003524714362914
Energy: 1.2419746055270902
Energy: 1.4000050397171997
Energy: 1.2419746055270902
Energy: 1.16339487764974
Energy: 1.625449450435369
Energy: 1.4041358142769054
Energy: 1.6254494504339203

minimum gb energy = 1.1236738128014117 eV
minimum distance =  2.5031155434478 Angstroms
sigma value = 13


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

Energy: 1.1257843164941297
Energy: 1.4169634267375204
Energy: 1.782082995841836
Energy: 1.4169634267393416
Energy: 1.9831048301827396
Energy: 1.4351369353441008
Energy: 1.2977303686149133
Energy: 1.4351369353453147
Energy: 1.3022743518353197
Energy: 1.4545100116500027
Energy: 1.4887781829893507
Energy: 1.4545100116487886
Energy: 1.4205348518051408
Energy: 1.4360234278785176
Energy: 1.189203057425641
Energy: 1.4360234278766961
Energy: 1.4237968794358544
Energy: 2.3202333256705696
Energy: 1.6819137392868702
Energy: 2.3202333256736054
Energy: 1.3113609299926166
Energy: 1.2773578447128946
Energy: 1.2129409649245353
Energy: 1.2773578447128946
Energy: 1.309516470105829
Energy: 1.8198407303869792
Energy: 1.9789953257971002
Energy: 1.8198407303863722
Energy: 1.0902905796782505
Energy: 1.4750255135044021
Energy: 1.2131201422764095
Energy: 1.4750255135062236
Energy: 1.309514297773901
Energy: 1.7391238636942112
Energy: 1.8763949875169597
Energy: 1.7391238636917825
Energy: 1.5209943743937688
Energy: 2.3566159406263036
Energy: 1.1893121535599431
Energy: 2.3566159406214466
Energy: 1.3095559158678751
Energy: 1.3606633947072493
Energy: 1.3189125023318753
Energy: 1.3606633947066422
Energy: 1.5841089686832892
Energy: 2.2763320001414082
Energy: 1.422230846468022
Energy: 2.27633200013898
Energy: 1.5192730676757875
Energy: 1.4567928999050574
Energy: 1.3453525691350592
Energy: 1.4567928999062718
Energy: 2.0405361485821727
Energy: 1.621631181163006
Energy: 1.3045611750131738
Energy: 1.6216311810677448
Energy: 1.3095807897354133
Energy: 1.682219336890944
Energy: 1.3259935380102976
Energy: 1.6822193368891225
Energy: 1.3272567683081007
Energy: 1.3572444311774934
Energy: 1.3038346405871755
Energy: 1.3572444311768863
Energy: 1.3179940678737032
Energy: 2.2660805722450155
Energy: 1.3040112168074418
Energy: 2.266080572248658
Energy: 1.32805762334712
Energy: 1.759388764588895
Energy: 1.3292968136275198
Energy: 1.7593887645913233
Energy: 1.3399896591801939
Energy: 2.2073002690497145
Energy: 1.3344482497408043
Energy: 2.20730026905275
Energy: 1.33847987131154
Energy: 2.207120726569907
Energy: 1.3299302886997537
Energy: 2.207120726569907
Energy: 1.3278946391930397
Energy: 1.7610741562298766
Energy: 1.334428324229965
Energy: 1.7610741562298766
Energy: 1.317934175836595
Energy: 2.2673730580337526
Energy: 1.3046494650372824
Energy: 2.2673730580367883
Energy: 1.3269009689084472
Energy: 1.3573398048406713
Energy: 1.30617816641544
Energy: 1.3573398048400642
Energy: 1.3093007923548226
Energy: 1.6810097019694588
Energy: 1.3780383010327877
Energy: 1.681009701976137
Energy: 2.040395067856124
Energy: 1.6219856547243034
Energy: 1.3044494084871616
Energy: 1.6219856546181142
Energy: 1.5188879088038703
Energy: 1.456779565570967
Energy: 1.3550536730934895
Energy: 1.45677956557036
Energy: 1.5841516507394335
Energy: 2.2761892409251097
Energy: 1.421854864355884
Energy: 2.2761892409238955
Energy: 1.3092398011240662
Energy: 1.3620193481334408
Energy: 1.3185183991966185
Energy: 1.3620193481316194
Energy: 1.5214980626289591
Energy: 2.35665314290053
Energy: 1.189379463182068
Energy: 2.3566531429017443
Energy: 1.309858937889984
Energy: 1.7370069304109192
Energy: 1.7899109568596647
Energy: 1.737006930414562
Energy: 1.090560056452552
Energy: 1.697401175826219
Energy: 1.212819485126369
Energy: 1.6974011758225762
Energy: 1.3094325604399495
Energy: 1.8184786224314136
Energy: 1.9779322319974493
Energy: 1.8184786224277705
Energy: 1.3115924341287484
Energy: 1.277348787833603
Energy: 1.2131388602516069
Energy: 1.2773487869342495
Energy: 1.4237541268482057
Energy: 2.3198635965339856
Energy: 1.6275764910912212
Energy: 2.319863596538843
Energy: 1.421076352684583
Energy: 1.4349266179393716
Energy: 1.1893359051713621
Energy: 1.4349266179345148

minimum gb energy = 1.0902905796782505 eV
minimum distance =  2.473815791425 Angstroms
sigma value = 37


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

Energy: 1.1878385806195515
Energy: 1.1866640714014454
Energy: 1.7265726659764147
Energy: 1.1866640714004006
Energy: 1.9960951152719493
Energy: 1.6481958656724476
Energy: 1.0925260152983762
Energy: 1.6481958656724476
Energy: 1.1228660531585528
Energy: 2.082979624097244
Energy: 1.5224559447218446
Energy: 2.082979624097244
Energy: 1.4178895384421568
Energy: 1.1728928252855422
Energy: 1.1953257003502196
Energy: 1.1728928252855422
Energy: 1.1040953843019476
Energy: 1.299301132676038
Energy: 1.558775180114823
Energy: 1.299301132676038
Energy: 1.32717650064637
Energy: 1.4380225644450446
Energy: 1.1353029647900688
Energy: 1.4380225644460893
Energy: 1.3805525777397982
Energy: 1.8531077911438096
Energy: 2.0082982466146655
Energy: 1.8531077911406761
Energy: 1.092048720254945
Energy: 1.0387998278333295
Energy: 1.0405357121879069
Energy: 1.038799827832285
Energy: 1.0955264547640973
Energy: 1.6482280576942159
Energy: 1.4348294744221401
Energy: 1.6482280576942159
Energy: 1.5231189285392273
Energy: 2.0411566855919627
Energy: 1.1359721001055267
Energy: 2.0411566855919627
Energy: 1.2836645393460362
Energy: 1.8442156113823411
Energy: 1.4179507684260293
Energy: 1.8442156113833854
Energy: 1.4544179728082038
Energy: 1.3007469566469285
Energy: 1.1952672765888885
Energy: 1.3007469566469285
Energy: 1.1401826428412252
Energy: 1.437034737980413
Energy: 1.2912374975389642
Energy: 1.4370347380106563
Energy: 1.6703510068973209
Energy: 1.8544047891350541
Energy: 1.1811206016015627
Energy: 1.854404789136099
Energy: 1.3737099024352117
Energy: 1.2161764962659072
Energy: 1.0930774650616104
Energy: 1.2161764962659072
Energy: 1.6989280090191072
Energy: 1.2999979059959332
Energy: 1.1811884310503438
Energy: 1.2999979059959332
Energy: 1.1320518573695444
Energy: 2.0337280993257902
Energy: 1.0989283039852722
Energy: 2.0337280993268347
Energy: 1.4176350051469684
Energy: 1.8444610937294041
Energy: 1.2814266561657295
Energy: 1.8444610937314931
Energy: 1.387466992173634
Energy: 1.4475902912729355
Energy: 1.1023771232045612
Energy: 1.4475902912729355
Energy: 1.1023508640878839
Energy: 1.4379071928640421
Energy: 1.3298753729155588
Energy: 1.4379071928629976

minimum gb energy = 1.038799827832285 eV
minimum distance =  2.47617608327713 Angstroms
sigma value = 25


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

Energy: 1.353183503272632
Energy: 1.52780440173535
Energy: 1.4358620158433681
Energy: 1.5278044017052088
Energy: 1.8837814474866528
Energy: 1.3277240495690068
Energy: 1.0516863313951006
Energy: 1.3277240495698224
Energy: 1.0189498904156056
Energy: 1.0199013539480923
Energy: 1.7748464336000584
Energy: 1.019901353946461
Energy: 1.4303759781356387
Energy: 1.6809429426648865
Energy: 0.9845356886302229
Energy: 1.680942942664071
Energy: 1.132928463542011
Energy: 1.3286330138831206
Energy: 1.446263276045328
Energy: 1.3286330138814892
Energy: 1.2100872935411913
Energy: 1.326690363315503
Energy: 1.132206503418822
Energy: 1.326690363315503
Energy: 1.0533692536005124
Energy: 1.1117058535322386
Energy: 1.5184970703345146
Energy: 1.1117058535322386
Energy: 1.1312918035778714
Energy: 1.2524254014387504
Energy: 1.0208877961979113
Energy: 1.2524254014379348
Energy: 0.9844696460796564
Energy: 1.328641319425034
Energy: 2.055350205322534
Energy: 1.328641319425034
Energy: 0.965182043135926
Energy: 1.3156295557372393
Energy: 1.0970382708716768
Energy: 1.315629555738055
Energy: 1.0536206414261653
Energy: 1.112855682490652
Energy: 1.5976563475227379
Energy: 1.112855682490652
Energy: 1.318262770056646
Energy: 1.3947856830733358
Energy: 1.019918961491115
Energy: 1.3947856830725203
Energy: 1.0511008709498497
Energy: 1.2456361741511057
Energy: 1.7225951241150008
Energy: 1.2456361741527369
Energy: 1.287338085718999
Energy: 1.3649486127624413
Energy: 1.132295283828422
Energy: 1.3649486127616255
Energy: 1.1312673021153021
Energy: 1.2174859056141683
Energy: 1.2105024261618507
Energy: 1.2174859056157994
Energy: 1.5186467174623783
Energy: 1.718423996864858
Energy: 1.0561634754525484
Energy: 1.7184239968656738
Energy: 1.096661050184463
Energy: 1.252933968604676
Energy: 1.2550500166348582
Energy: 1.2529339686038603
Energy: 1.44643643475213
Energy: 1.3292759632317055
Energy: 0.9859903740096112
Energy: 1.32927596323089
Energy: 1.4318856085863496
Energy: 1.5098003860370282
Energy: 0.9650201713270989
Energy: 1.5098003860386593
Energy: 1.7930564586874917
Energy: 1.6594661239447874
Energy: 1.1002707682219306
Energy: 1.6594661239447874
Energy: 1.023661837888805
Energy: 1.3950532262518858
Energy: 0.9722215196209488
Energy: 1.39505322625107
Energy: 1.227829916548658
Energy: 1.2472972832548015
Energy: 1.0537158730309966
Energy: 1.2472972832556173
Energy: 1.1314270497379117
Energy: 1.3661316140830084
Energy: 1.2897665645922864
Energy: 1.3661316140830084
Energy: 1.210731604052138
Energy: 1.7099700628016181
Energy: 1.1811041809772507
Energy: 1.7099700627999868
Energy: 1.0591118166860929
Energy: 1.7190796799324428
Energy: 1.5197617444002676
Energy: 1.719079679934074
Energy: 0.9679406567126088
Energy: 1.254136040999714
Energy: 1.1692586897912516
Energy: 1.254136040999714

minimum gb energy = 0.9650201713270989 eV
minimum distance =  2.48773643440504 Angstroms
sigma value = 41


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

Energy: 1.164675901562686
Energy: 1.164988732630599
Energy: 1.2323552650717036
Energy: 1.164988732632605
Energy: 1.7329911752757128
Energy: 1.1559195763919479
Energy: 0.9347885106204001
Energy: 1.1559195763919479
Energy: 1.0730178716197922
Energy: 1.1484492102429993
Energy: 1.0494440517689119
Energy: 1.1484492101180166
Energy: 1.6880428491303838
Energy: 1.159376960647188
Energy: 0.934724328712351
Energy: 1.159376960647188
Energy: 0.8183410144720129
Energy: 1.184038882161116
Energy: 1.5263794418647476
Energy: 1.1840388821617849
Energy: 1.579114358261835
Energy: 1.1553882844091508
Energy: 0.9347437044666039
Energy: 1.1553882844091508
Energy: 0.8224817482074698
Energy: 1.155242455321122
Energy: 1.1985788579263719
Energy: 1.1552424553164413
Energy: 0.9252929124688531
Energy: 1.0070976456241716
Energy: 0.8195506010303554
Energy: 1.007097645623503
Energy: 0.9359900549629625
Energy: 1.4517512067711966
Energy: 1.3321654440415547
Energy: 1.4517512067718652
Energy: 1.048586843005102
Energy: 1.151694538407016
Energy: 1.0739158961558775
Energy: 1.1516945384083532
Energy: 0.8964676379641149
Energy: 1.1563035296476538
Energy: 1.5538315773269988
Energy: 1.1563035296503286
Energy: 0.8110151268336341
Energy: 1.1668077577802145
Energy: 1.1655857193171744
Energy: 1.1668077577782086
Energy: 0.936299054931563
Energy: 1.4521849086850729
Energy: 1.8126733766822005
Energy: 1.4521849086844043
Energy: 1.2302394393030278
Energy: 1.6747125563294991
Energy: 1.0740467021687397
Energy: 1.6747125563355174
Energy: 1.009184464271308
Energy: 1.1578493279918776
Energy: 1.6849652069783339
Energy: 1.15784932799054
Energy: 1.2010494037983659
Energy: 1.2065752348198067
Energy: 0.81968017757868
Energy: 1.2065752348184693
Energy: 0.935880574007077
Energy: 1.4533241483035453
Energy: 1.1053107895596908
Energy: 1.4533241483015389
Energy: 1.199262489437072
Energy: 1.9719651587317877
Energy: 0.9347877811828567
Energy: 1.9719651587324563
Energy: 0.8963236509197055
Energy: 1.008476177561267
Energy: 0.9260418475630138
Energy: 1.0084761775632731
Energy: 1.1947590377070838
Energy: 1.4878950348935052
Energy: 0.9393276380660046
Energy: 1.4878950348941737
Energy: 1.1391667716879879
Energy: 1.6940539531420964
Energy: 1.0486610649932346
Energy: 1.694053953140759
Energy: 1.5621697715717455
Energy: 1.7683083842128378
Energy: 0.89737631356389
Energy: 1.7683083842128378
Energy: 1.1688364035415664
Energy: 1.1676562255455818
Energy: 0.8102428891630901
Energy: 1.1676562255462504
Energy: 1.4136264102692857
Energy: 1.4521540425302817
Energy: 0.9392570086740167
Energy: 1.452154042529613
Energy: 1.1391205770701764
Energy: 1.6769160651928081
Energy: 0.9353886221790048
Energy: 1.676916065188796
Energy: 1.398931492493463
Energy: 1.7505178840507392
Energy: 0.9379138646682272
Energy: 1.7505178840534141
Energy: 0.8964286753019657
Energy: 1.2071508690569033
Energy: 1.2009691961350044
Energy: 1.207150869055566
Energy: 0.9354306494042566
Energy: 1.4539452940206417
Energy: 0.939484522905662
Energy: 1.4539452940206417
Energy: 0.936173959941016
Energy: 1.8838616502366
Energy: 1.1994748616410806
Energy: 1.8838616502366
Energy: 0.9250002668724626
Energy: 1.4799057455045284
Energy: 0.9376823419343832
Energy: 1.4799057455038598
Energy: 0.94293367404434
Energy: 1.4885659028313913
Energy: 1.2005002306994073
Energy: 1.4885659028333973
Energy: 0.9250307271309458
Energy: 1.6439356028681194
Energy: 1.1412202672359673
Energy: 1.6439356028694565

minimum gb energy = 0.8102428891630901 eV
minimum distance =  2.44254176910203 Angstroms
sigma value = 15


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

Energy: 1.0574958478932615
Energy: 1.5206703042815992
Energy: 1.7566363511001635
Energy: 1.5206703042798997
Energy: 1.6805220360356985
Energy: 1.320691208706982
Energy: 0.9602474087934088
Energy: 1.3206912087064153
Energy: 0.9828117207104281
Energy: 1.0380102033038452
Energy: 0.8468129651187413
Energy: 1.0380102033044118
Energy: 1.73821166153833
Energy: 1.2836634171434118
Energy: 0.8645751787422267
Energy: 1.2836634171462442
Energy: 0.9588093500315232
Energy: 1.506747814961198
Energy: 0.8402211872883981
Energy: 1.5067478149594984
Energy: 1.5224586653532597
Energy: 1.283100375640697
Energy: 1.0353478180118314
Energy: 1.2831003756412631
Energy: 0.8638190994405789
Energy: 1.048591880821738
Energy: 1.3953255768599866
Energy: 1.0485918808189056
Energy: 1.0049191529811916
Energy: 1.0476220221282477
Energy: 0.9578536086559056
Energy: 1.047622022128814
Energy: 1.0348294991182383
Energy: 1.561524953459784
Energy: 1.3471032502456808
Energy: 1.5615249534614832
Energy: 0.8425621112274218
Energy: 1.4749844377005035
Energy: 0.9592590499202753
Energy: 1.47498443770107
Energy: 0.7709012300249352
Energy: 1.3189399490496672
Energy: 1.4432324549500033
Energy: 1.3189399490496672
Energy: 0.9451122464062721
Energy: 1.039812385550699
Energy: 0.9833055057598105
Energy: 1.0398123855495662
Energy: 0.8644748408414632
Energy: 1.5605937531776193
Energy: 1.5278345240700646
Energy: 1.5605937531764864
Energy: 0.7462714230264049
Energy: 1.5207576079042129
Energy: 1.0582449279481627
Energy: 1.5207576079042129
Energy: 0.8294528587390549
Energy: 1.2995961471999085
Energy: 1.681586913042127
Energy: 1.2995961471942437
Energy: 1.1233811345535762
Energy: 1.0384359929665172
Energy: 0.9836065705092878
Energy: 1.038435992975014
Energy: 0.8652938617018708
Energy: 1.527744807253312
Energy: 1.7350692293305348
Energy: 1.5277448072544448
Energy: 1.1028340944764106
Energy: 1.51323076045455
Energy: 0.8651542702269206
Energy: 1.513230760452284
Energy: 0.9986571924232088
Energy: 1.3036765613900956
Energy: 1.2344784023414141
Energy: 1.303676561393494
Energy: 1.112940566995997
Energy: 1.0737355323826436
Energy: 0.8636441668418884
Energy: 1.0737355323803777
Energy: 0.9597481057274003
Energy: 1.3023885929101187
Energy: 1.0014712483709467
Energy: 1.3023885929152168
Energy: 1.1447360451613973
Energy: 1.5611640841400793
Energy: 0.9413194196613017
Energy: 1.5611640841519239
Energy: 0.9230676181626012
Energy: 1.4735867678998096
Energy: 0.8425275708670822
Energy: 1.473586767874885
Energy: 1.4408009308114065
Energy: 1.3194771559391139
Energy: 0.8306302839772749
Energy: 1.3194771559396803
Energy: 1.0743407894631618
Energy: 1.4191473526793166
Energy: 0.9446170288779598
Energy: 1.4191473526787501
Energy: 1.400572673132289
Energy: 1.5609219428174619
Energy: 0.8668200677688667
Energy: 1.5609219428180285
Energy: 1.0608103963453839
Energy: 1.5546450076053322
Energy: 0.745961256382348
Energy: 1.5546450076058986
Energy: 1.5536923285155744
Energy: 1.286654632193471
Energy: 0.9215455042540216
Energy: 1.2866546321968695
Energy: 1.0741304209963274
Energy: 1.4848245131619782
Energy: 0.8714385968925441
Energy: 1.4848245131619782
Energy: 1.2600830571800417
Energy: 1.5286679310720377
Energy: 0.8669544063387691
Energy: 1.5286679310703384
Energy: 0.8296264409109434
Energy: 1.516299285810101
Energy: 1.0986271343531702
Energy: 1.516299285810101
Energy: 1.2604094950904083
Energy: 1.3034283565627807
Energy: 0.924259928846499
Energy: 1.3034283565627807
Energy: 0.864659636204233
Energy: 1.5231715339189773
Energy: 1.1072076732474312
Energy: 1.5231715339167113
Energy: 0.9094546912313315
Energy: 1.3010666287581754
Energy: 0.9631595326588438
Energy: 1.3010666287570425
Energy: 0.8589799509149112
Energy: 1.5464999174596168
Energy: 1.1448344036268239
Energy: 1.5464999174584837
Energy: 0.842935868003744
Energy: 1.4913010275581953
Energy: 0.9250704568786231
Energy: 1.491301027558762
Energy: 0.9221322539019986
Energy: 1.6782347222562533
Energy: 1.4423712827957338
Energy: 1.6782347222562533

minimum gb energy = 0.745961256382348 eV
minimum distance =  2.46752380068043 Angstroms
sigma value = 85


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

Energy: 1.167578167880364
Energy: 1.3573897423458763
Energy: 1.127483970846767
Energy: 1.35738974234342
Energy: 1.6206044923880791
Energy: 1.0957305305780132
Energy: 0.8621995938626117
Energy: 1.0957305305770306
Energy: 0.9533943487413041
Energy: 0.9536492829740689
Energy: 0.9349394447818168
Energy: 0.9536492829735776
Energy: 1.641735064596355
Energy: 1.1589570653853158
Energy: 0.9392763891971417
Energy: 1.1589570653853158
Energy: 0.8941757446958425
Energy: 0.9247396502710057
Energy: 0.7524917732532553
Energy: 0.9247396502710057
Energy: 1.5542555383609518
Energy: 1.1588072441599993
Energy: 0.9242635562668338
Energy: 1.1588072441604904
Energy: 0.7018312372985309
Energy: 0.9733570511576158
Energy: 0.8546173801204847
Energy: 0.9733570511571246
Energy: 1.0915316570755365
Energy: 1.1592235146746916
Energy: 0.7816670742980225
Energy: 1.159223514673709
Energy: 0.7044763316392196
Energy: 0.9384757642006234
Energy: 1.3732603971715265
Energy: 0.9384757642001321
Energy: 0.8900928303655532
Energy: 0.973214592638449
Energy: 0.7828700392493786
Energy: 0.9732145926379577
Energy: 0.8433752543803155
Energy: 1.159138892956886
Energy: 1.277563153993695
Energy: 1.1591388929563946
Energy: 0.7521654723865543
Energy: 1.251736388709719
Energy: 0.8948750587719504
Energy: 1.251736388708245
Energy: 0.8600111520541763
Energy: 0.9379802653792837
Energy: 1.3838692508862882
Energy: 0.9379802653802664
Energy: 0.8433644047743427
Energy: 0.953626664775171
Energy: 0.9539338612430851
Energy: 0.953626664775171
Energy: 0.7826404495594972
Energy: 1.0963210704978454
Energy: 1.4849850154867839
Energy: 1.0963210704978454
Energy: 0.6677378462850856
Energy: 1.3573922896169315
Energy: 1.168298058689706
Energy: 1.3573922896169315
Energy: 0.7511911367285896
Energy: 0.937816458333263
Energy: 1.62280105445448
Energy: 0.937816458333263
Energy: 0.9892018019701928
Energy: 0.9534700899384781
Energy: 0.9539117649948067
Energy: 0.9534700899379869
Energy: 0.9399570871949432
Energy: 1.1591396223899482
Energy: 1.6430530250996869
Energy: 1.1591396223919135
Energy: 0.9640837183514295
Energy: 1.3098579797625785
Energy: 0.8950376222169479
Energy: 1.3098579797630696
Energy: 0.8911866967096743
Energy: 0.9384134777757579
Energy: 1.2182143320799572
Energy: 0.9384134777747754
Energy: 0.965161367562479
Energy: 0.9824193278822418
Energy: 0.7829282125448986
Energy: 0.9824193278827332
Energy: 0.7825144918254188
Energy: 1.1586643838629782
Energy: 1.091420579152384
Energy: 1.1586643838624868
Energy: 1.0204043769594744
Energy: 1.3719284475391318
Energy: 0.7817055797488444
Energy: 1.3719284475396232
Energy: 0.751238508141887
Energy: 0.8469346484744545
Energy: 0.8901390822983997
Energy: 0.8469346484739633
Energy: 1.2777742630874762
Energy: 1.1598379572140225
Energy: 0.8449207691775894
Energy: 1.1598379572135311
Energy: 0.8968146206295782
Energy: 1.2523089100275693
Energy: 0.7522661882066489
Energy: 1.2523089100275693
Energy: 1.3392207967598209
Energy: 1.3711367629031297
Energy: 0.8288364638423089
Energy: 1.3711367629031297
Energy: 0.9549660052865563
Energy: 0.9535823710423675
Energy: 0.8434041304557004
Energy: 0.9535823710423675
Energy: 1.484282945729071
Energy: 1.1589485715757544
Energy: 0.7847296949450154
Energy: 1.1589485715757544
Energy: 1.1700656082765835
Energy: 1.3583558757118956
Energy: 0.6686867383659646
Energy: 1.3583558757128782
Energy: 1.428002478923454
Energy: 1.370723663550568
Energy: 0.7517503026859191
Energy: 1.370723663550568
Energy: 0.9556452955883079
Energy: 0.9542417739069623
Energy: 0.7640492731035897
Energy: 0.9542417739079448
Energy: 1.3603112328325093
Energy: 1.1589105195448206
Energy: 0.784412718596891
Energy: 1.158910519545312
Energy: 0.8967588167839217
Energy: 1.2469733307083701
Energy: 0.9641812841739954
Energy: 1.2469733306941226
Energy: 1.100730510667638
Energy: 1.3713630070777652
Energy: 0.8929812729256323
Energy: 1.3713630070767826
Energy: 0.7514651675819038
Energy: 0.9825871117990607
Energy: 0.9660850777187924
Energy: 0.9825871117970955
Energy: 1.0916068842162296
Energy: 1.1592057718575195
Energy: 0.7846065125971388
Energy: 1.1592057718580109
Energy: 0.7824865798040176
Energy: 1.2766218413114683
Energy: 1.0202691362492753
Energy: 1.2766218413119597
Energy: 0.8089198866938816
Energy: 1.1331135533227086
Energy: 0.831693851682054
Energy: 1.1331135533207435
Energy: 0.8459899087029907
Energy: 1.0964138345452
Energy: 1.2780509589090476
Energy: 1.0964138345761518
Energy: 0.7523552149293042
Energy: 1.316181302312918
Energy: 0.9711705433673343
Energy: 1.3161813023124271
Energy: 0.8298488825188753
Energy: 1.4951038296220531
Energy: 1.3387891150268907
Energy: 1.4951038296215617

minimum gb energy = 0.6677378462850856 eV
minimum distance =  2.45211886824889 Angstroms
sigma value = 113


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

Energy: 0.021494452718969433
Energy: 0.022178692114364552
Energy: 1.492448676289336
Energy: 0.02217869211511992
Energy: 1.3838470414410862
Energy: 0.3549638540344009
Energy: 0.356390770845559
Energy: 0.3549638540344009
Energy: 0.021494452718969433
Energy: 0.022178692114742236
Energy: 1.493106653122175
Energy: 0.022178692114742236
Energy: 1.3838470414363022
Energy: 0.3549638540344009
Energy: 0.356390770845559
Energy: 0.3549638540336455
Energy: 0.021494452718969433
Energy: 0.022178692114742236
Energy: 1.4919761019631
Energy: 0.022178692114742236
Energy: 1.3838470414403308
Energy: 0.3549638540347786
Energy: 0.3563907708451813
Energy: 0.35496385403402314

minimum gb energy = 0.021494452718969433 eV
minimum distance =  2.75739251095355 Angstroms
sigma value = 1