Model name: model_name=MEAM_LAMMPS_JeongParkDo_2018_PdCu__MO_353393547686_001
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=3.613315671682358
cohesive_energy=3.540278438572939
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: 0.013701672079287948
Energy: 0.01447080769668645
Energy: 0.8633277726843546
Energy: 0.01447080769668645
Energy: 0.01447080769668645
Energy: 0.7316237720635191
Energy: 0.01447080769668645
Energy: 0.7316237720635191
Energy: 0.8633277726849825
Energy: 0.01447080769668645
Energy: 0.013701672079287948
Energy: 0.01447080769668645
Energy: 0.01447080769668645
Energy: 0.7316237720635191
Energy: 0.01447080769668645
Energy: 0.7316237720635191

minimum gb energy = 0.013701672079287948 eV
minimum distance =  2.47126490431956 Angstroms
sigma value = 1


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

Energy: 0.9558549311562476
Energy: 1.0030219434404612
Energy: 0.9164689901929112
Energy: 1.0030219434404612
Energy: 0.8945447692477992
Energy: 1.143560024291803
Energy: 0.8981558302273852
Energy: 1.1435600242925643
Energy: 1.0171295068634123
Energy: 0.9949330405543996
Energy: 0.9444504311594442
Energy: 0.9949330405536383
Energy: 0.8904052653229076
Energy: 1.075417984745604
Energy: 0.8653349323525634
Energy: 1.075417984745604
Energy: 0.9350772851812628
Energy: 1.0622505734117484
Energy: 0.876056074648989
Energy: 1.0622505734109868
Energy: 0.8572571549889013
Energy: 1.1809077463864008
Energy: 0.8399407808634037
Energy: 1.1809077463856394
Energy: 0.9329404857109941
Energy: 1.0836206195422213
Energy: 0.8758384380065389
Energy: 1.0836206195422213
Energy: 0.8188228443492159
Energy: 1.0626186003350828
Energy: 0.8285178612111017
Energy: 1.0626186003350828
Energy: 0.8782796950995321
Energy: 1.1105691032665805
Energy: 1.0063725099103373
Energy: 1.1105691045192705
Energy: 0.8324915531613274
Energy: 0.9956633948643934
Energy: 0.8125938008139856
Energy: 0.9956633948636321
Energy: 1.0224124623386566
Energy: 0.9577956173907299
Energy: 0.8783759147811713
Energy: 0.9577956173914914
Energy: 0.918454580754802
Energy: 1.0636233683529897
Energy: 0.842926576813988
Energy: 1.0636233683529897
Energy: 0.8973396722114116
Energy: 1.1182179789619222
Energy: 0.932857787473766
Energy: 1.1182179789626836
Energy: 0.9468653755523637
Energy: 0.9984415055041242
Energy: 0.8582017475873175
Energy: 0.9984415055041242
Energy: 0.9229006982382036
Energy: 1.0621876402526582
Energy: 0.9959534465808146
Energy: 1.0621876402526582
Energy: 0.9224223166817886
Energy: 1.1199687242623144
Energy: 0.893508000313832
Energy: 1.1199687242630756
Energy: 0.9443352683854667
Energy: 0.9966707655949817
Energy: 0.8811104599837065
Energy: 0.9966707655949817
Energy: 0.8982161263748488
Energy: 1.1194986295487206
Energy: 0.9326396185005715
Energy: 1.1194986295479592
Energy: 0.8213109539739697
Energy: 1.0056877853308002
Energy: 0.8417101345138627
Energy: 1.0056877853315613
Energy: 1.0148335750158082
Energy: 0.8849038407125094
Energy: 0.8798288852583225
Energy: 0.884903840711748
Energy: 0.8351968590399867
Energy: 0.9954816141457489
Energy: 0.8114014850280891
Energy: 0.9954816141449876
Energy: 0.8793092108480566
Energy: 1.1793126533247165
Energy: 1.004314732258502
Energy: 1.179312653323955
Energy: 0.9744521577771633
Energy: 1.0630890297164703
Energy: 0.8822341675407794
Energy: 1.063089029715709
Energy: 0.9638702008340967
Energy: 1.048816237907408
Energy: 0.8760791286303679
Energy: 1.0488162379066466
Energy: 0.8742352619646149
Energy: 1.174790561398294
Energy: 1.0333151352370336
Energy: 1.174790561398294
Energy: 0.9341883369215567
Energy: 1.0579402083597558
Energy: 0.8612195865954738
Energy: 1.0579402083597558
Energy: 0.8891171922841433
Energy: 0.9392200903902806
Energy: 0.8789728222639878
Energy: 0.939220090391042
Energy: 1.0050570483687675
Energy: 0.993817159631167
Energy: 0.9422654937824917
Energy: 0.993817159631167
Energy: 0.8938586633245416
Energy: 1.0543543403616904
Energy: 0.895927847440411
Energy: 1.0543543403616904
Energy: 0.9560346442811208
Energy: 1.0039566208583692
Energy: 0.9201601380298595
Energy: 1.0039566208583692
Energy: 0.8973159292158341
Energy: 1.0862109849375863
Energy: 0.897259720728416
Energy: 1.0862109849383477
Energy: 0.8685432312731037
Energy: 0.9992402326317885
Energy: 0.9475058480879098
Energy: 0.9992402326310272
Energy: 0.9125121492439247
Energy: 0.8862291123181708
Energy: 0.8649591023506035
Energy: 0.8862291123181708

minimum gb energy = 0.8114014850280891 eV
minimum distance =  2.32920952002229 Angstroms
sigma value = 1


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

Energy: 1.0164740467613675
Energy: 1.0672409765309108
Energy: 0.9799401929722165
Energy: 1.0672409765283066
Energy: 0.933580581108047
Energy: 1.197003364842234
Energy: 0.9366905758156892
Energy: 1.1970033648413658
Energy: 1.0711749901345275
Energy: 1.052925897812214
Energy: 0.9829309594556569
Energy: 1.0529258978139504
Energy: 0.9039079547426787
Energy: 0.9045699691062067
Energy: 0.8975013753540583
Energy: 0.9045699691036024
Energy: 0.9040225823732833
Energy: 1.1306425728652125
Energy: 1.0494698034639185
Energy: 1.1306425728643446
Energy: 0.9943584920631423
Energy: 1.1358390268134277
Energy: 0.9383413808053966
Energy: 1.1358390268134277
Energy: 1.028168749351756
Energy: 1.0877947002766513
Energy: 0.9226427028171992
Energy: 1.0877947002766513
Energy: 0.8473331656003762
Energy: 1.0741692803967826
Energy: 0.870307862717415
Energy: 1.0741692803959146
Energy: 0.9178847250374339
Energy: 0.9324157269800325
Energy: 1.0868123202562385
Energy: 0.9324157269800325
Energy: 0.8771973538246385
Energy: 1.144997609808245
Energy: 0.958635752777765
Energy: 1.144997609807377
Energy: 0.9190529869883014
Energy: 1.089740615114844
Energy: 0.9431714784793972
Energy: 1.089740615114844
Energy: 0.884144281933085
Energy: 1.0594022954475628
Energy: 1.0102612229988674
Energy: 1.059402295448431
Energy: 0.9820570039186207
Energy: 1.1287349034498182
Energy: 0.9217239615284342
Energy: 1.1287349034498182
Energy: 0.9820195348654067
Energy: 1.1288652398927148
Energy: 0.9788534326194414
Energy: 1.1288652398918466
Energy: 0.8841035707091415
Energy: 1.059248396699919
Energy: 0.9498120293475603
Energy: 1.0592483966990511
Energy: 0.9191481409336241
Energy: 1.089564669629718
Energy: 0.9232107384168325
Energy: 1.0895646696305865
Energy: 0.8771925348275034
Energy: 1.1450149596746035
Energy: 0.9058623545505385
Energy: 1.1450149596737353
Energy: 0.9178687781556774
Energy: 0.9323824724990258
Energy: 0.9523838622885298
Energy: 0.9323824724990258
Energy: 0.8473135058313273
Energy: 1.0740096225353355
Energy: 0.877242735192964
Energy: 1.0740096225344673
Energy: 1.0282011801359054
Energy: 1.0876966196957703
Energy: 0.9207439182674734
Energy: 1.0876966196957703
Energy: 0.994489278206993
Energy: 1.1355384396926291
Energy: 0.9396858813034659
Energy: 1.135538439693497
Energy: 0.9040530135236505
Energy: 1.1307478162785694
Energy: 0.9129145736001095
Energy: 1.130747816276833
Energy: 0.9039765487803839
Energy: 0.9042696084828178
Energy: 0.9059150464708078
Energy: 0.9042696084836858
Energy: 1.0713399333693336
Energy: 1.0529267883329485
Energy: 0.9504038221469586
Energy: 1.0529267883312121
Energy: 0.9335229786806075
Energy: 1.197056258737987
Energy: 0.936619204600176
Energy: 1.197056258737119
Energy: 1.0164740467613675
Energy: 1.0672409765309108
Energy: 1.0701260575613547
Energy: 1.0672409765283066
Energy: 0.933580581108047
Energy: 1.1970033648413658
Energy: 0.9366905758156892
Energy: 1.1970033648413658
Energy: 1.0711749901336596
Energy: 1.052925897812214
Energy: 1.0107230242440803
Energy: 1.0529258978139504
Energy: 0.9039079547426787
Energy: 0.9045699691053386
Energy: 0.8904121422058235
Energy: 0.9045699691062067

minimum gb energy = 0.8473135058313273 eV
minimum distance =  2.28505074032912 Angstroms
sigma value = 25


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

Energy: 0.9551771527843893
Energy: 1.118218480226444
Energy: 1.0933605599520928
Energy: 1.118218480226444
Energy: 0.9923908294678478
Energy: 1.1484837230812353
Energy: 1.0150636650955285
Energy: 1.1484837230822444
Energy: 0.9456324662537169
Energy: 1.1773052875438246
Energy: 0.9314486140094093
Energy: 1.1773052875438246
Energy: 0.9247123004778525
Energy: 0.9586579912370851
Energy: 0.9347239159889014
Energy: 0.9586579912582776
Energy: 0.9355265575655833
Energy: 1.1634378068604498
Energy: 1.0910808096196536
Energy: 1.1634378068604498
Energy: 1.0419730829143632
Energy: 1.1815585528280665
Energy: 1.085389351439459
Energy: 1.1815585528280665
Energy: 0.9793005570816125
Energy: 1.1991675898336636
Energy: 0.9795500700399292
Energy: 1.1991675898336636
Energy: 1.1376675690663272
Energy: 1.1234302581664755
Energy: 0.8994631960815977
Energy: 1.1234302581664755
Energy: 0.9796572917601389
Energy: 1.1114541946134933
Energy: 0.9786753128928555
Energy: 1.1114541946134933
Energy: 0.9332413716152332
Energy: 1.1820999885598948
Energy: 0.9151895202360916
Energy: 1.1820999885588857
Energy: 0.9698338594029341
Energy: 1.1167874164427072
Energy: 0.9904441231795663
Energy: 1.1167874164427072
Energy: 0.9570538092191705
Energy: 1.1537321839911217
Energy: 1.1046063132462485
Energy: 1.1537321839911217
Energy: 0.9315138782722455
Energy: 1.05154965146976
Energy: 0.9281681488108995
Energy: 1.05154965146976
Energy: 0.9806441032629453
Energy: 1.0211334116920598
Energy: 0.9794569864473293
Energy: 1.0211334116920598
Energy: 1.0095366317382926
Energy: 1.165186264718298
Energy: 0.8983996992531802
Energy: 1.165186264718298
Energy: 1.0351033402898304
Energy: 0.9759239332310242
Energy: 0.9676724184448089
Energy: 0.9759239332310242
Energy: 0.8853964051738421
Energy: 1.1833130625232497
Energy: 0.8831923893198044
Energy: 1.1833130625232497
Energy: 0.9352785400599031
Energy: 1.1733767711197582
Energy: 0.9707180872245081
Energy: 1.1733767711197582
Energy: 0.9240482335609692
Energy: 0.9584984616734228
Energy: 0.93545158921579
Energy: 0.9584984617006702
Energy: 0.979313187639492
Energy: 1.1786946035609516
Energy: 0.9566766552069605
Energy: 1.1786946035609516
Energy: 0.9601792957752892
Energy: 1.0892712168885534
Energy: 0.9569129839005096
Energy: 1.0892712168895626
Energy: 0.9572414504847375
Energy: 1.1283660300830038
Energy: 1.0417727121621683
Energy: 1.1283660300830038
Energy: 0.9906144330831055
Energy: 1.114579199906506
Energy: 1.011065988246339
Energy: 1.114579199906506
Energy: 1.1541613394042447
Energy: 1.1815012683340174
Energy: 0.933289823855021
Energy: 1.1815012683340174
Energy: 1.1653510423929971
Energy: 0.9591088546597929
Energy: 0.9625924637983503
Energy: 0.9591088546618112

minimum gb energy = 0.8831923893198044 eV
minimum distance =  2.28577240062703 Angstroms
sigma value = 9


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

Energy: 1.0008576664409192
Energy: 1.1890381422581555
Energy: 1.0863710332961096
Energy: 1.1890381422593594
Energy: 1.02700596752747
Energy: 1.1068257770433507
Energy: 1.073314282644253
Energy: 1.1068257768989698
Energy: 0.9916604908180404
Energy: 1.0507854424399483
Energy: 0.9568543691531401
Energy: 1.0507854424399483
Energy: 1.2173585713298074
Energy: 1.0244798249070082
Energy: 0.9793035798037337
Energy: 1.0244798249070082
Energy: 1.1327352209529418
Energy: 1.1073995047993508
Energy: 1.1318860507409383
Energy: 1.1073995047993508
Energy: 0.9138858874612165
Energy: 1.0513153533716073
Energy: 1.268173628242316
Energy: 1.0513153533716073
Energy: 1.131148125406478
Energy: 0.9490314265218726
Energy: 1.0148055822038622
Energy: 0.9490314265218726
Energy: 1.0685994223285427
Energy: 1.060368359169193
Energy: 0.938223844475479
Energy: 1.060368359169193
Energy: 1.0795628426934307
Energy: 1.1074098508490393
Energy: 1.0619518972284108
Energy: 1.1074098518225235
Energy: 1.0013246710811834
Energy: 1.0487772503583743
Energy: 1.013455417905983
Energy: 1.0487772503583743
Energy: 0.9722411094634302
Energy: 1.114226928703742
Energy: 0.9887375555637973
Energy: 1.1142269287049458
Energy: 1.078988738526674
Energy: 1.226847943760122
Energy: 0.9803293607896758
Energy: 1.226847943760122
Energy: 0.9124786789945456
Energy: 1.2622242356122146
Energy: 0.9522183599096431
Energy: 1.2622242356110107
Energy: 1.0441420835849102
Energy: 1.0363723829145859
Energy: 1.1156991103976879
Energy: 1.0363723829133824
Energy: 0.9124893156868648
Energy: 1.2621683167312758
Energy: 1.0687961555099248
Energy: 1.2621683167324793
Energy: 1.0789678687660014
Energy: 1.2283306062332726
Energy: 0.9806870396817868
Energy: 1.2283306062320687
Energy: 0.9723917716287565
Energy: 1.1143926956599688
Energy: 0.956245171695676
Energy: 1.1143926956599688
Energy: 1.0012824487270553
Energy: 1.0487533767250685
Energy: 1.0131115356103273
Energy: 1.0487533767250685
Energy: 1.0794782826128109
Energy: 1.1066787911179887
Energy: 1.0320305786700725
Energy: 1.10667886201186
Energy: 1.0685740738066265
Energy: 1.0604069896472632
Energy: 0.9383101615124425
Energy: 1.0604069896664976
Energy: 1.131154555214318
Energy: 0.9488349823176913
Energy: 1.0148067768946885
Energy: 0.9488349823176913

minimum gb energy = 0.9124786789945456 eV
minimum distance =  2.38014360505626 Angstroms
sigma value = 25


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

Energy: 0.9650914464412639
Energy: 1.1597843654267412
Energy: 1.166507132475867
Energy: 1.1597843654267412
Energy: 0.9466892640842426
Energy: 1.1731580933698118
Energy: 0.9324982444315297
Energy: 1.1731580933698118
Energy: 1.0638794742317228
Energy: 1.2957665934754556
Energy: 0.9329574535286729
Energy: 1.2957665934754556
Energy: 1.3940112152567172
Energy: 1.1861300978783804
Energy: 1.1333015290488038
Energy: 1.1861300978783804
Energy: 1.1332911923941325
Energy: 1.062504079075488
Energy: 1.0156625287923209
Energy: 1.062504079075488
Energy: 0.9323302398975177
Energy: 1.2350786639919824
Energy: 1.3590693399017335
Energy: 1.2350786639919824
Energy: 1.04129363223964
Energy: 1.1470567697598553
Energy: 1.0634183805575923
Energy: 1.1470567697598553
Energy: 1.2535771319743616
Energy: 1.2073535344318789
Energy: 1.0179245606289766
Energy: 1.2073535344318789
Energy: 0.9329531755647693
Energy: 1.0607594446303863
Energy: 1.0014426442003865
Energy: 1.0607594446303863
Energy: 1.2083716385363623
Energy: 1.260184973721913
Energy: 1.0627589296020465
Energy: 1.260184973721913
Energy: 0.9773584865679306
Energy: 1.263519970368719
Energy: 1.3210013064195947
Energy: 1.263519970368719
Energy: 1.0626252710958168
Energy: 1.02302157483973
Energy: 1.15772756287172
Energy: 1.02302157483973
Energy: 1.1271292238435562
Energy: 1.2353321340228003
Energy: 0.9317218070787474
Energy: 1.2353321340228003
Energy: 1.0635621091308214
Energy: 1.1310318594933206
Energy: 1.0939343117293152
Energy: 1.1310318594933206
Energy: 1.0170140819859135
Energy: 1.1317206503250572
Energy: 1.2543391592272046
Energy: 1.1317206503250572
Energy: 1.0007505881985406
Energy: 1.2816890347666454
Energy: 0.9357018412296563
Energy: 1.2816890347651564
Energy: 1.0633631684016425
Energy: 1.0267862165504622
Energy: 1.2068272609679862
Energy: 1.0267862165504622

minimum gb energy = 0.9317218070787474 eV
minimum distance =  2.36426571934188 Angstroms
sigma value = 17


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

Energy: 1.0438421567688072
Energy: 1.307714557197313
Energy: 1.3145711413674575
Energy: 1.307714557197313
Energy: 1.1256285644027615
Energy: 1.0841528698986131
Energy: 0.9542573809155172
Energy: 1.0841528698994563
Energy: 1.2529465709829646
Energy: 1.250395425100177
Energy: 0.9544401744350143
Energy: 1.250395425100177
Energy: 1.0433758557082726
Energy: 1.2581109141076643
Energy: 1.1366546914747573
Energy: 1.2581109141085072
Energy: 1.183520834955683
Energy: 1.1105301034836397
Energy: 1.1883093153628486
Energy: 1.1105301034836397
Energy: 0.9650051139360467
Energy: 1.057908221485482
Energy: 1.4057742956894832
Energy: 1.0579082216675342
Energy: 1.0610194997656668
Energy: 1.0655176132701187
Energy: 1.0924075529318955
Energy: 1.0655176132701187
Energy: 1.257946986220502
Energy: 1.0596542372993394
Energy: 0.9646118156879351
Energy: 1.0596542372984963
Energy: 1.041465266086179
Energy: 1.237553127934927
Energy: 1.2155420728135307
Energy: 1.237553127934927
Energy: 1.2969300401677726
Energy: 1.1740846839559889
Energy: 1.046639998396514
Energy: 1.174084683955146
Energy: 0.9542748058452287
Energy: 1.101711024447198
Energy: 1.402340601822112
Energy: 1.1017110244463548
Energy: 1.0719460892794508
Energy: 1.065052598969264
Energy: 1.1106421326943043
Energy: 1.065052598969264
Energy: 1.3727937930337242
Energy: 1.0442407141623524
Energy: 1.0493865963009898
Energy: 1.0442407142002958
Energy: 0.9545543190329352
Energy: 1.1623852202262073
Energy: 1.166266086393345
Energy: 1.1623852204604985
Energy: 1.112614412389158
Energy: 1.0655675848003558
Energy: 1.0812990023277036
Energy: 1.065567584801199
Energy: 1.1621316403741904
Energy: 1.2540585131702526
Energy: 1.164232004388707
Energy: 1.2540585131710957
Energy: 1.0596572715289652
Energy: 1.151170374927215
Energy: 1.2560960294591326
Energy: 1.1511703749280582
Energy: 1.3703644088616413
Energy: 1.2887202521483754
Energy: 0.964970176738366
Energy: 1.2887202521483754
Energy: 0.9980378111968261
Energy: 1.1810750151582996
Energy: 1.0255859126459685
Energy: 1.1810750151540839
Energy: 1.0721871263962313
Energy: 1.0584923970943567
Energy: 1.069840740839086
Energy: 1.0584923970926703
Energy: 1.0585793640573655
Energy: 1.0941133231578908
Energy: 1.1620168715690493
Energy: 1.0941133231578908
Energy: 1.0345248270775103
Energy: 1.1092869683410476
Energy: 1.2955538847235801
Energy: 1.1092869683418909
Energy: 1.1724177434250431
Energy: 1.2344111104550923
Energy: 0.951746756957335
Energy: 1.2344111104550923
Energy: 1.0556464632685851
Energy: 1.1828954939965433
Energy: 1.216388405725886
Energy: 1.1828954939973864
Energy: 1.0436196273581015
Energy: 1.3234914105366877
Energy: 1.2181453181174464
Energy: 1.3234914105366877
Energy: 1.2832240026108066
Energy: 1.1018687031166392
Energy: 0.9531313923501018
Energy: 1.101868703123385
Energy: 1.0162438907658693
Energy: 1.2566664637810208
Energy: 1.3137522477076078
Energy: 1.2566664637810208
Energy: 1.1629920901225752
Energy: 1.0589470159132226
Energy: 1.1631791434623417
Energy: 1.0589470160185828
Energy: 1.255867714516123
Energy: 1.195761249828082
Energy: 1.0609911492351458
Energy: 1.195761249828082
Energy: 0.9647063156884157
Energy: 1.1834636874403848
Energy: 1.22230594656034
Energy: 1.1834636874395417

minimum gb energy = 0.951746756957335 eV
minimum distance =  2.27219568768382 Angstroms
sigma value = 53


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

Energy: 0.8986056696587825
Energy: 0.898463224089719
Energy: 1.324089975953892
Energy: 0.8984632240877779
Energy: 1.1825749518462183
Energy: 1.2020171410761697
Energy: 1.1507251693161797
Energy: 1.2020171410761697
Energy: 0.9173094748323124
Energy: 0.9186228503111711
Energy: 1.1652720527037776
Energy: 0.9186228503111711
Energy: 0.9173924286175036
Energy: 0.9182856495574513
Energy: 1.0473093054829326
Energy: 0.9182856495593925
Energy: 1.182540443385101
Energy: 1.2019630045375416
Energy: 1.067810045840352
Energy: 1.2019630045375416
Energy: 0.8986056696587825
Energy: 0.8984632240877779
Energy: 1.37325591842004
Energy: 0.898463224089719
Energy: 1.1825749518462183
Energy: 1.2020171410761697
Energy: 1.1507251693161797
Energy: 1.2020171410761697
Energy: 0.9173094748323124
Energy: 0.9186228503111711
Energy: 1.1652720527037776
Energy: 0.9186228503111711
Energy: 0.9173924286175036
Energy: 0.9182856495593925
Energy: 1.0726605394014197
Energy: 0.9182856495574513
Energy: 1.1825404433870421
Energy: 1.2019630045375416
Energy: 1.0502945633107692
Energy: 1.2019630045375416
Energy: 0.8986056696587825
Energy: 0.898463224089719
Energy: 1.4537992195769323
Energy: 0.898463224089719
Energy: 1.1825749518462183
Energy: 1.2020171410761697
Energy: 1.1507251693161797
Energy: 1.2020171410761697
Energy: 0.9173094748304155
Energy: 0.9186228503111711
Energy: 1.1652720527037776
Energy: 0.9186228503111711

minimum gb energy = 0.8984632240877779 eV
minimum distance =  2.34276816465437 Angstroms
sigma value = 9


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

Energy: 0.9906242173124612
Energy: 1.335155140620615
Energy: 1.5018759539370776
Energy: 1.3351551406198965
Energy: 1.3219065982165386
Energy: 1.1032100865245213
Energy: 1.07118056788177
Energy: 1.1032100865238028
Energy: 1.2074515218277897
Energy: 1.1980303026487407
Energy: 1.0117945278450826
Energy: 1.1980303026480223
Energy: 1.4272962018593573
Energy: 1.2797443392633159
Energy: 1.0955922363955821
Energy: 1.2797443392633159
Energy: 1.3575360979676954
Energy: 1.0377438341209497
Energy: 1.058904032462954
Energy: 1.0377438341202314
Energy: 0.9794413193190262
Energy: 0.9793743204145469
Energy: 1.4737848996809224
Energy: 0.9793743204138283
Energy: 1.484960588496983
Energy: 1.3928438155409988
Energy: 1.0568721036435484
Energy: 1.3928438155409988
Energy: 1.2084801709179531
Energy: 1.3169394125534075
Energy: 1.2563769085437673
Energy: 1.3169394125526888
Energy: 1.2142539541224575
Energy: 1.3648051587392391
Energy: 0.9880634366351994
Energy: 1.3648051587399577
Energy: 1.0602679804250754
Energy: 1.0820602158894732
Energy: 1.0437491241493566
Energy: 1.0820602158894732
Energy: 1.1157450020216162
Energy: 1.354392211268433
Energy: 1.4416570447390409
Energy: 1.3543922112691513
Energy: 1.3173680485399653
Energy: 1.3291795059701856
Energy: 1.0226608016252587
Energy: 1.3291795059709044
Energy: 1.0735071029580454
Energy: 1.0855102341106717
Energy: 1.3491770537616061
Energy: 1.0855102341099534
Energy: 1.4267617456841408
Energy: 1.3034868638903971
Energy: 0.9940059680175097
Energy: 1.3034868638903971
Energy: 1.0592022547986835
Energy: 1.2291768891380113
Energy: 1.2325835559782252
Energy: 1.229176889140885
Energy: 1.0411776584946055
Energy: 1.2882877772018855
Energy: 1.2486124080348462
Energy: 1.2882877772018855
Energy: 1.1466327895184758
Energy: 1.2305085599991303
Energy: 1.0593398177957913
Energy: 1.2305085599984118
Energy: 1.1038821578997533
Energy: 1.0345590799610478
Energy: 1.2719579420419445
Energy: 1.034559079959611
Energy: 1.4697847272780122
Energy: 1.1718837781742282
Energy: 0.9823340670576421
Energy: 1.1718837781727918
Energy: 1.0179203459672834
Energy: 1.1106197136986349
Energy: 1.224653756833307
Energy: 1.110619713697198
Energy: 1.2593442759391984
Energy: 1.3689657245537814
Energy: 1.257697461441365
Energy: 1.3689657245537814
Energy: 1.1398621335143237
Energy: 1.1569670954674194
Energy: 1.057312813686487
Energy: 1.1569670954667008
Energy: 0.9882854021064439
Energy: 1.171398064894402
Energy: 1.1426819316596613
Energy: 1.1713980648951208
Energy: 1.4375206179822495
Energy: 1.2234111773019338
Energy: 1.1133742540763145
Energy: 1.2234111773026521
Energy: 1.056219887861462
Energy: 1.294576806050336
Energy: 1.4031415934740399
Energy: 1.2945768060496174
Energy: 1.189796960792613
Energy: 0.9795965123686613
Energy: 1.1106975633379654
Energy: 0.9795965123686613
Energy: 1.1215589292999169
Energy: 1.2322327095318204
Energy: 1.272966531031642
Energy: 1.2322327095318204
Energy: 0.9957701300357759
Energy: 1.2637236969370553
Energy: 1.276093839774923
Energy: 1.2637236969363368
Energy: 1.1292047588971132
Energy: 0.9796076259274848
Energy: 1.1093199959296816
Energy: 0.9796076259260478
Energy: 1.0230503102096595
Energy: 1.3980733540187946
Energy: 1.4211652805168165
Energy: 1.3980733540187946
Energy: 1.3588450961327023
Energy: 1.3525440860454283
Energy: 1.1125341939901607
Energy: 1.3525440860454283
Energy: 0.9788801241773553
Energy: 1.0363564840705506
Energy: 1.1421614898550925
Energy: 1.0363564840705506
Energy: 0.9803112929729506
Energy: 1.1563307199196815
Energy: 1.2063685466301777
Energy: 1.1563307199196815
Energy: 1.2615762871420901
Energy: 1.2889885766308316
Energy: 1.25561476716766
Energy: 1.2889885766308316
Energy: 1.0188410821153
Energy: 1.2151762574859415
Energy: 1.4890646311972495
Energy: 1.2151762574859415

minimum gb energy = 0.9788801241773553 eV
minimum distance =  2.29894688816466 Angstroms
sigma value = 73


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

Energy: 1.0532099783148317
Energy: 1.0521004311280875
Energy: 1.4847007344382157
Energy: 1.05210043105858
Energy: 1.254487177955188
Energy: 1.2026979807483098
Energy: 1.0530774620593484
Energy: 1.2026979807460298
Energy: 1.0997010235489115
Energy: 1.0572391528045917
Energy: 1.004960641261896
Energy: 1.0572391528045917
Energy: 1.251335187482076
Energy: 1.1449463815575953
Energy: 1.1667424251359968
Energy: 1.1449463815575953
Energy: 1.1321935320308107
Energy: 1.1245946967968656
Energy: 0.9906133413106727
Energy: 1.1245946967980056
Energy: 1.1557248390996524
Energy: 1.0082451483001795
Energy: 1.4093615126412422
Energy: 1.008245148304713
Energy: 1.494139759650221
Energy: 1.2684173262752167
Energy: 1.1013887758296443
Energy: 1.268417326274077
Energy: 1.0849855831453172
Energy: 1.2019662719899091
Energy: 1.3375458509014375
Energy: 1.2019662719899091
Energy: 1.420088993540857
Energy: 0.980224441001761
Energy: 0.9805452929331339
Energy: 0.980224441001761
Energy: 1.058444535780508
Energy: 1.1657024064090524
Energy: 0.9807539445817351
Energy: 1.1657024064090524
Energy: 1.0794954126932421
Energy: 1.0568882566657105
Energy: 1.3780843101586098
Energy: 1.0568882566645705
Energy: 1.278990063630513
Energy: 1.1710365101920812
Energy: 1.0697024758224853
Energy: 1.171036510172729
Energy: 1.1173272348024388
Energy: 1.1885442950392842
Energy: 1.2854974171683848
Energy: 1.1885442950392842
Energy: 1.3794204703958861
Energy: 1.170875662495122
Energy: 1.1408290211772032
Energy: 1.1708756624962617
Energy: 0.9907110031796788
Energy: 1.2619729021338686
Energy: 1.3846721161630542
Energy: 1.2619729021338686
Energy: 1.3335764856089192
Energy: 1.1904586920881999
Energy: 1.0525225372523759
Energy: 1.1904586920881999
Energy: 1.0526742065654635
Energy: 1.1163173111342437
Energy: 1.0997804784499217
Energy: 1.116317311133104
Energy: 1.0518322302111702
Energy: 1.0738666236053664
Energy: 1.1051118881042084
Energy: 1.0738666236053664
Energy: 1.0410847654528246
Energy: 0.9796327990343721
Energy: 1.1433644640174268
Energy: 0.9796327990355119
Energy: 1.0604845307002597
Energy: 1.3766970605458895
Energy: 1.455339981277975
Energy: 1.3766970605458895
Energy: 1.382972480015149
Energy: 1.1423396973392599
Energy: 1.154880124879514
Energy: 1.1423396973392599
Energy: 1.125226906586995
Energy: 1.1131798156053319
Energy: 1.4164782995309568
Energy: 1.1131798156053319

minimum gb energy = 0.9796327990343721 eV
minimum distance =  2.30985286644783 Angstroms
sigma value = 7


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

Energy: 1.0512868750537026
Energy: 1.066356849885409
Energy: 1.4863926292443517
Energy: 1.066356849884603
Energy: 1.5286445319605095
Energy: 1.1385285911227692
Energy: 1.1159623904988523
Energy: 1.1385285911219631
Energy: 1.086013232917496
Energy: 1.1643080348138093
Energy: 1.0696601621457256
Energy: 1.164308034814615
Energy: 1.3149114826816712
Energy: 1.1196361531124284
Energy: 1.106839345818692
Energy: 1.1196361531124284
Energy: 1.1085098703451184
Energy: 1.1409639612391405
Energy: 1.004329847999036
Energy: 1.1409639612383344
Energy: 1.083523204310317
Energy: 1.0562480287408942
Energy: 1.382750577835526
Energy: 1.0562480287417004
Energy: 1.3504166055165598
Energy: 1.1549590653516038
Energy: 1.17051968046141
Energy: 1.1549590653491857
Energy: 1.080196938327152
Energy: 1.001021827201279
Energy: 1.4696933542325423
Energy: 1.0010218272020852
Energy: 1.3178428917624692
Energy: 1.1357845241562359
Energy: 1.1013998335502215
Energy: 1.1357845241562359
Energy: 1.0711463354393504
Energy: 1.1800735923910162
Energy: 1.4041205530965553
Energy: 1.1800735923910162
Energy: 1.0784899154950722
Energy: 1.1923922127276796
Energy: 1.1625820331964007
Energy: 1.1923922127260678
Energy: 1.0025741105860284
Energy: 1.173052199967503
Energy: 1.1166279229310927
Energy: 1.173052199967503
Energy: 1.0101664084958049
Energy: 1.072103351345702
Energy: 1.252286821654074
Energy: 1.0721033513473142
Energy: 1.1975700048451405
Energy: 0.9970770863143948
Energy: 1.201191033929011
Energy: 0.9970770863127827
Energy: 1.0652448855246806
Energy: 1.296083172446025
Energy: 1.3752897194834233
Energy: 1.296083172446025
Energy: 1.4198395862249331
Energy: 1.0606665080554885
Energy: 1.1135784750180755
Energy: 1.0606665083938724
Energy: 1.0520700062611974
Energy: 1.0899553439616145
Energy: 1.3115589269903498
Energy: 1.0899553439616145
Energy: 1.014783335823431
Energy: 1.0702153387232476
Energy: 1.1171985672274993
Energy: 1.0702153387264717
Energy: 1.0522968112605626
Energy: 1.1080584993414642
Energy: 1.1499262832385253
Energy: 1.1080584993406581
Energy: 1.0603431795569087
Energy: 1.134410738150121
Energy: 1.190150069603888
Energy: 1.134410738150121
Energy: 1.1289963811720736
Energy: 1.207931963801987
Energy: 1.0864995831362996
Energy: 1.2079319638455124
Energy: 1.1114872743084787
Energy: 1.1865496658597214
Energy: 1.304996733811087
Energy: 1.1865496658573031
Energy: 1.3993006632526785
Energy: 1.1160734361648061
Energy: 1.1193840114497475
Energy: 1.1160734361519098
Energy: 1.0549411910631483
Energy: 1.050911662379831
Energy: 1.5218886982985338
Energy: 1.050911662385473
Energy: 1.2826906841381809
Energy: 1.1577105551108577
Energy: 1.0495899554162926
Energy: 1.157710555109246
Energy: 1.1696751564019636
Energy: 1.1619864124352417
Energy: 1.0795887737452428
Energy: 1.161986412436854
Energy: 1.073477568545477
Energy: 1.1484376871224038
Energy: 1.0476678142945524
Energy: 1.1484376871207918
Energy: 1.2927663764221584
Energy: 1.1190624720747193
Energy: 1.0858004341727723
Energy: 1.1190624720731073
Energy: 1.081987803876216
Energy: 1.0003370413734318
Energy: 1.2941090896712961
Energy: 1.0003370413734318
Energy: 1.3606047439470872
Energy: 1.2370757063684676
Energy: 1.1303645948623022
Energy: 1.2370757063684676
Energy: 1.060338970718562
Energy: 1.0006972107596048
Energy: 1.305641779888994
Energy: 1.0006972107587988

minimum gb energy = 0.9970770863127827 eV
minimum distance =  2.29712786287008 Angstroms
sigma value = 29


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

Energy: 0.9428604293183978
Energy: 0.9423456754638175
Energy: 1.4790558868063326
Energy: 0.9423456754638175
Energy: 1.4061210767068397
Energy: 1.1741725579497453
Energy: 0.9407681247274771
Energy: 1.1741725579497453
Energy: 1.0231708378647741
Energy: 1.126862690357921
Energy: 1.1602111303790414
Energy: 1.1268626903576402
Energy: 0.941029901992972
Energy: 0.9130252790396737
Energy: 1.1734668304430607
Energy: 0.9130252790407656
Energy: 0.9434775804031765
Energy: 0.9136711926313605
Energy: 1.1615653672691595
Energy: 0.9136711926313605
Energy: 1.1715277646237447
Energy: 0.992315703728471
Energy: 1.1714979911157266
Energy: 0.9923157037287205
Energy: 0.9416645046208805
Energy: 0.9131231754983241
Energy: 0.9434578394830058
Energy: 0.9131231755200051
Energy: 1.174875044843243
Energy: 0.9133171641621414
Energy: 0.9407975304617875
Energy: 0.9133171641627028
Energy: 1.1600504871208746
Energy: 1.1268636824638292
Energy: 1.34078146159734
Energy: 1.1268636824635487

minimum gb energy = 0.9130252790396737 eV
minimum distance =  2.33641844156944 Angstroms
sigma value = 5


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

Energy: 0.9508754570096216
Energy: 1.0173085568136717
Energy: 1.2937849358861129
Energy: 1.0173085568144329
Energy: 1.4618039773872773
Energy: 1.1555787475461605
Energy: 0.9426621020447045
Energy: 1.1555787475461605
Energy: 0.9253133780524517
Energy: 1.0364271503050286
Energy: 1.1613874902590091
Energy: 1.0364271503057898
Energy: 1.0111765990731945
Energy: 1.06869069903783
Energy: 0.9377374159818417
Energy: 1.0686906990385914
Energy: 0.9534673659417336
Energy: 0.9964652982853069
Energy: 1.2307833050420505
Energy: 0.9964652982860682
Energy: 0.9588875548994547
Energy: 1.0398444584725024
Energy: 0.9316523637633339
Energy: 1.0398444584740252
Energy: 0.9279276029726966
Energy: 1.0019365545876013
Energy: 0.9265766758820928
Energy: 1.00193655458684
Energy: 0.9348477503771335
Energy: 0.9467471672735294
Energy: 0.9497781331262134
Energy: 0.9467471672750521
Energy: 0.93340726899449
Energy: 1.1037324035531593
Energy: 0.9556052559432197
Energy: 1.1037324035539207
Energy: 0.9403845466160738
Energy: 0.9974041155359817
Energy: 0.9300684654015619
Energy: 0.9974041155352203
Energy: 0.966855397776993
Energy: 1.172201325642083
Energy: 0.9257807621739761
Energy: 1.1722013256397985
Energy: 0.9579750883083065
Energy: 0.970647788651311
Energy: 1.0569788386241257
Energy: 0.9706477886634933
Energy: 1.0833108840277386
Energy: 0.9458622092024391
Energy: 0.9493660417028266
Energy: 0.9458622092039618
Energy: 0.9345979242044155
Energy: 1.0572821026318437
Energy: 1.2153006869282856
Energy: 1.057282102630321
Energy: 1.4878576788499502
Energy: 1.1825480838233204
Energy: 0.9259846794074169
Energy: 1.1825480838217977
Energy: 0.935426661478634
Energy: 1.0130618310111217
Energy: 1.4546122161321238
Energy: 1.0130618310103603
Energy: 1.1443347632416103
Energy: 0.9279906831447557
Energy: 0.9525654938779218
Energy: 0.9279906831462785
Energy: 0.9321236723224815
Energy: 1.040524318834338
Energy: 1.122302267276935
Energy: 1.0405243188328155
Energy: 0.981791889280162
Energy: 1.0022372829971022
Energy: 0.9345300049146901
Energy: 1.0022372829971022
Energy: 0.9510169000124041
Energy: 1.060430863520597
Energy: 0.939611084528775
Energy: 1.0604308635190742
Energy: 0.9653516204071031
Energy: 1.0961355132910962
Energy: 0.9330391670636647
Energy: 1.096135513292619
Energy: 0.9458048249188675
Energy: 0.9964782799933045
Energy: 0.9330436785512831
Energy: 0.996478279992543
Energy: 0.9293415799376786
Energy: 1.1745367831102407
Energy: 0.9690346242207544
Energy: 1.1745367831117635
Energy: 1.0569983240675855
Energy: 0.950476525532737
Energy: 0.9568167490145607
Energy: 0.9504765255342597
Energy: 1.0225379673617334
Energy: 1.1007265783537437
Energy: 0.9413960555383969
Energy: 1.1007265783529825
Energy: 0.9636283581823099
Energy: 0.9920929851647776
Energy: 0.9364923471262213
Energy: 0.9920929851624936
Energy: 0.9284477641699008
Energy: 0.9184136709684458
Energy: 1.0619153750595995
Energy: 0.9184136709676844
Energy: 1.2461987081271748
Energy: 1.1450697848742488
Energy: 0.934123651380515
Energy: 1.1450697848750102
Energy: 0.9313257925205588
Energy: 1.1354064485030382
Energy: 1.5031201680393105
Energy: 1.135406448509856
Energy: 1.123455945694357
Energy: 1.0404927223649765
Energy: 0.9321477473365016
Energy: 1.0404927223664993
Energy: 0.9311973099199399
Energy: 0.939942661483339
Energy: 1.331349053647194
Energy: 0.9399426614841004
Energy: 1.1432377029829452
Energy: 1.002501679550717
Energy: 0.9477904933426905
Energy: 1.002501679550717
Energy: 0.9372087360928137
Energy: 1.1737300771819006
Energy: 0.9899913624844672
Energy: 1.1737300771811394

minimum gb energy = 0.9184136709676844 eV
minimum distance =  2.27582283981732 Angstroms
sigma value = 1


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

Energy: 1.0068156098768566
Energy: 1.080371434614156
Energy: 1.2855014076271765
Energy: 1.080371434614156
Energy: 1.267622134701403
Energy: 0.8778088319659016
Energy: 0.8972865097675631
Energy: 0.8778088319648488
Energy: 0.889960085619007
Energy: 0.9073726068167788
Energy: 1.0776486252289286
Energy: 0.9073726068167788
Energy: 0.9041184409493496
Energy: 0.972984007654082
Energy: 0.897682862468046
Energy: 0.9729840076551348
Energy: 0.8963087309821646
Energy: 0.9036494234954582
Energy: 1.1568718348643388
Energy: 0.9036494234954582
Energy: 0.8953764630499922
Energy: 1.099331697145188
Energy: 0.8976952988385285
Energy: 1.099331697145188
Energy: 0.8900174086248939
Energy: 1.001026000575148
Energy: 1.0242223762098124
Energy: 1.0010260005740952
Energy: 0.8902711721540985
Energy: 0.9094176975722932
Energy: 0.898517669239401
Energy: 0.9094176975701876
Energy: 0.9063914478199318
Energy: 0.9123387791917852
Energy: 0.9657843787761297
Energy: 0.9123387791917852
Energy: 0.9064068058078049
Energy: 1.1311904089633538
Energy: 0.9440390330861789
Energy: 1.1311904089644065
Energy: 0.8906354633841862
Energy: 0.9088310471661901
Energy: 0.9155550971361713
Energy: 0.9088310471651374
Energy: 0.8901307671105946
Energy: 1.1028674954834747
Energy: 1.056373219362545
Energy: 1.1028674954834747
Energy: 0.8955199683464738
Energy: 1.177219769932535
Energy: 0.8995250142315439
Energy: 1.177219769932535
Energy: 0.8961669303406326
Energy: 0.9096030495074142
Energy: 1.1744548942706041
Energy: 0.9096030495063615
Energy: 0.9585447334271142
Energy: 0.9706436177329493
Energy: 0.899540554535877
Energy: 0.9706436177318966
Energy: 0.8896903498078976
Energy: 0.9069346923062899
Energy: 1.181939103952105
Energy: 0.9069346923062899
Energy: 1.0628313724071476
Energy: 1.2958562903326012
Energy: 0.8940286730578039
Energy: 1.2958562903326012
Energy: 1.0068156098768566
Energy: 1.080371434614156
Energy: 1.2857067403050286
Energy: 1.080371434614156
Energy: 1.267622134701403
Energy: 0.8778088319659016
Energy: 0.8972865097675631
Energy: 0.8778088319659016
Energy: 0.889960085619007
Energy: 0.9073726068157262
Energy: 1.077648625227876
Energy: 0.9073726068157262
Energy: 0.9041184409504023
Energy: 0.972984007654082
Energy: 0.8976828624690987
Energy: 0.9729840076551348
Energy: 0.896308730981112
Energy: 0.9036494234954582
Energy: 1.1568718348643388
Energy: 0.9036494234954582
Energy: 0.8953764630489394
Energy: 1.0993316971441354
Energy: 0.8976952988395812
Energy: 1.099331697145188
Energy: 0.8900174086238412
Energy: 1.001026000575148
Energy: 0.9029151086830208
Energy: 1.001026000575148

minimum gb energy = 0.8778088319648488 eV
minimum distance =  2.30023509295434 Angstroms
sigma value = 17


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

Energy: 0.9013703994075483
Energy: 0.9012652765244131
Energy: 1.3174367260938364
Energy: 0.9012652765250638
Energy: 1.078608027855946
Energy: 0.8937561588682015
Energy: 0.8840412257953071
Energy: 0.8937561588721055
Energy: 0.881568097942904
Energy: 0.9796952265648795
Energy: 1.11065523544823
Energy: 0.9796952265642288
Energy: 1.0108902084958986
Energy: 1.07777800170624
Energy: 0.8799294217979029
Energy: 1.07777800170624
Energy: 0.8825004435811288
Energy: 0.8988278623899377
Energy: 1.191294905050184
Energy: 0.8988278623879857
Energy: 0.9444799285869119
Energy: 1.2440254066521523
Energy: 0.8883534925178477
Energy: 1.2440254066515017
Energy: 0.8995531173068498
Energy: 1.0932277776766675
Energy: 0.8926345707513546
Energy: 1.0932277776766675
Energy: 0.8801172475172203
Energy: 1.1110804993285244
Energy: 0.8808877933202195
Energy: 1.1110804993285244
Energy: 0.9038295541812585
Energy: 1.110438072151766
Energy: 0.9460855728525557
Energy: 1.1104380721524165
Energy: 0.9052600876694701
Energy: 1.1123933712946035
Energy: 0.8903815645383761
Energy: 1.112393371293302
Energy: 0.8862932788323454
Energy: 1.0972859778776374
Energy: 0.8887261881948871
Energy: 1.0972859778769868
Energy: 0.887215772742252
Energy: 0.942468343381277
Energy: 0.8755332331913727
Energy: 0.942468343381277
Energy: 0.8903002854051396
Energy: 1.1058370670381283
Energy: 0.8826909843565779
Energy: 1.1058370670374775
Energy: 0.8992717817605389
Energy: 1.105052479669188
Energy: 0.9012959871948044
Energy: 1.1050524796678867
Energy: 0.8963479678477657
Energy: 1.1152931040833771
Energy: 0.9088961002857462
Energy: 1.1152931040846783
Energy: 0.8869670931608101
Energy: 0.8953136653665513
Energy: 1.1895750828969025
Energy: 0.8953136653665513
Energy: 0.8835516726843454
Energy: 1.0816929223904141
Energy: 0.8847551384690301
Energy: 1.0816929223936675
Energy: 0.876653420265909
Energy: 0.9873092614433738
Energy: 1.0822580680541067
Energy: 0.9873092614459765
Energy: 1.4302438010313006
Energy: 1.0081876773754082
Energy: 0.8839283266908448
Energy: 1.0081876774189444
Energy: 0.8853614591412442
Energy: 0.8926266795792692
Energy: 1.0948903708673983
Energy: 0.8926266795805706
Energy: 1.3664646600044694
Energy: 0.8881776012578643
Energy: 0.897532034829265
Energy: 0.8881776012578643
Energy: 0.8971549138468159
Energy: 0.9895768525923163
Energy: 1.2407803471619518
Energy: 0.9895768525962204
Energy: 0.9897650751962913
Energy: 1.0867657081803104
Energy: 0.8864596728782301
Energy: 1.0867657081803104
Energy: 0.8840366925482035
Energy: 0.8874406441065941
Energy: 1.1353550209417527
Energy: 0.8874406441065941
Energy: 0.948326784966243
Energy: 0.9872672001596847
Energy: 0.8783169360722772
Energy: 0.987267200159034
Energy: 0.885098819317899
Energy: 0.9600053952159696
Energy: 0.8831001010334412
Energy: 0.9600053952159696
Energy: 1.0745832399877275
Energy: 1.1098619937710683
Energy: 0.8883338158121977
Energy: 1.1098619937710683
Energy: 0.9127766963667499
Energy: 1.1155176184803772
Energy: 0.8964840217549689
Energy: 1.1155176184803772
Energy: 0.9011733310656364
Energy: 1.1051140653903921
Energy: 0.9012745930142545
Energy: 1.1051140653903921
Energy: 0.8845405573976124
Energy: 1.105686062431256
Energy: 0.905984860972206
Energy: 1.105686062431256
Energy: 0.8751470800397345
Energy: 0.9568870238242605
Energy: 0.8762965833294207
Energy: 0.9568870238236098
Energy: 0.8859143332971684
Energy: 1.0965812172408715
Energy: 0.8835636177402375
Energy: 1.096581217240221
Energy: 0.8882257197636744
Energy: 1.1136044478045144
Energy: 1.0863263015614033
Energy: 1.1136044478064666
Energy: 0.9328235247904922
Energy: 1.1276112659681008
Energy: 0.8910367327042074
Energy: 1.1276112659694022
Energy: 0.8796987966697106
Energy: 0.9868425391457446
Energy: 0.9075282364829255
Energy: 0.9868425391457446
Energy: 0.8927905200940243
Energy: 1.0937430677113074
Energy: 0.9000790774292607
Energy: 1.0937430677113074
Energy: 0.8866290581554518
Energy: 1.238462552076335
Energy: 0.94472308240775
Energy: 1.2384625520737322
Energy: 1.1923198625207214
Energy: 0.8988770373104455
Energy: 0.8853877106246164
Energy: 0.8988770367537

minimum gb energy = 0.8751470800397345 eV
minimum distance =  2.30410977556446 Angstroms
sigma value = 89


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

Energy: 0.8002626260343229
Energy: 0.8012509308762632
Energy: 1.0756543481993428
Energy: 0.8012509308762632
Energy: 0.801652350948818
Energy: 0.8225067133696614
Energy: 0.8119865213619951
Energy: 0.8225067133696614
Energy: 0.8102461990639339
Energy: 1.2083311351254784
Energy: 1.472531488102372
Energy: 1.2083311351254784
Energy: 0.8629870355674996
Energy: 0.8222023970315284
Energy: 0.8121255690173895
Energy: 0.822202397033231
Energy: 0.8097662893524529
Energy: 1.1494508186957035
Energy: 1.4542002399896552
Energy: 1.1494508186957035
Energy: 0.8097614449440672
Energy: 0.8008210672173165
Energy: 0.8029105497915042
Energy: 0.8008210672173165
Energy: 0.8104680692793627
Energy: 0.9428889069639271
Energy: 0.8004876362095723
Energy: 0.9428889069639271
Energy: 0.8305148136749204
Energy: 1.2076311167104876
Energy: 0.811987104323053
Energy: 1.2076311167087852
Energy: 0.8110405333336461
Energy: 0.8861958116938143
Energy: 0.803183813241938
Energy: 0.8861958116921119
Energy: 0.8216627658215127
Energy: 1.149262563736698
Energy: 0.8104679252987237
Energy: 1.149262563740103
Energy: 0.7999300297831838
Energy: 0.8228394829074314
Energy: 0.8096020539993456
Energy: 0.8228394829074314
Energy: 0.800130846647318
Energy: 0.9439886170081014
Energy: 0.8120714881900435
Energy: 0.9439886170081014
Energy: 0.8111561441859825
Energy: 1.150926584761474
Energy: 0.8305905129802046
Energy: 1.150926584761474
Energy: 0.8111288750644958
Energy: 0.8835737679657525
Energy: 0.8105734179705197
Energy: 0.8835737679657525
Energy: 0.8033780392190818
Energy: 1.1508459938342284
Energy: 0.8110854873362654
Energy: 1.1508459938342284

minimum gb energy = 0.7999300297831838 eV
minimum distance =  2.29304045548119 Angstroms
sigma value = 13


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

Energy: 0.7993592078583773
Energy: 1.0126831131617848
Energy: 1.137666233049328
Energy: 1.0126831131575034
Energy: 1.2656575054334822
Energy: 1.0248927264978043
Energy: 0.774155436293231
Energy: 1.0248927264992314
Energy: 0.7783887338604499
Energy: 1.0348162328368455
Energy: 0.9705127709832396
Energy: 1.034816232834705
Energy: 0.7744008829056677
Energy: 1.0247698364075915
Energy: 0.7720912153604796
Energy: 1.0247698364040234
Energy: 0.7852089034762305
Energy: 1.1980579228423525
Energy: 0.8218359740260878
Energy: 1.1980579228409252
Energy: 0.7743657405636181
Energy: 0.9095106450741182
Energy: 0.7834101508603146
Energy: 0.9095106450748317
Energy: 0.782948840250873
Energy: 1.019547896610501
Energy: 1.0508300486980535
Energy: 1.0195478966090739
Energy: 0.7759002185102145
Energy: 1.0457320622008908
Energy: 0.7836543591739352
Energy: 1.045732062202318
Energy: 0.7829511537326036
Energy: 0.9564579259445808
Energy: 0.9844641972553443
Energy: 0.9564579259445808
Energy: 0.9509645584889656
Energy: 1.2460689937301592
Energy: 0.7719840954288234
Energy: 1.2460689937301592
Energy: 0.784468535099434
Energy: 1.0149177488899879
Energy: 0.7706462157470502
Energy: 1.01491774888642
Energy: 1.0557710954395008
Energy: 1.2295811425362995
Energy: 0.7779047155248283
Energy: 1.2295811425348724
Energy: 0.8076368861256423
Energy: 0.7869446099013675
Energy: 0.796714444151701
Energy: 0.7869446114085267
Energy: 1.0278001453154928
Energy: 0.9658846867590256
Energy: 0.7779377826865118
Energy: 0.9658846867568848
Energy: 0.7850760869265878
Energy: 0.9169871759984101
Energy: 0.787883976735378
Energy: 0.9169871759849167
Energy: 0.7728650037412386
Energy: 0.9660476693536811
Energy: 0.7793324891372269
Energy: 0.9660476693536811
Energy: 0.7824103748354849
Energy: 1.124947343203597
Energy: 0.7792164077783184
Energy: 1.1249473432078783
Energy: 0.8043277098716024
Energy: 0.8369585711751458
Energy: 0.7919648447752154
Energy: 0.8369585711744322
Energy: 0.7833321964807313
Energy: 1.0971586686653576
Energy: 0.7922531202830781
Energy: 1.0971586686625032
Energy: 0.7830454313323626
Energy: 1.0969888327435628
Energy: 0.7926981391107506
Energy: 1.0969888327435628
Energy: 0.8044913442169261
Energy: 0.8371616062105902
Energy: 0.7922231973780637
Energy: 0.8371616062113038
Energy: 0.7827007158761569
Energy: 1.1248199745113892
Energy: 0.7792096015855
Energy: 1.1248199745113892
Energy: 0.772932562772596
Energy: 0.9660949915297015
Energy: 0.7792455018749737
Energy: 0.9660949915318422
Energy: 0.7845645170850061
Energy: 0.9166431052002141
Energy: 0.7793560565564943
Energy: 0.9166431051995005
Energy: 1.0494116765073618
Energy: 0.9661053847918551
Energy: 0.7778519400334108
Energy: 0.9661053847947094
Energy: 0.807894940031258
Energy: 0.7869195312223197
Energy: 0.785513685328611
Energy: 0.7869195312223197
Energy: 1.0553583367661221
Energy: 1.229510040312471
Energy: 0.7780313117369082
Energy: 1.2295100403131847
Energy: 0.7834631007568282
Energy: 1.0147703450251542
Energy: 0.7698981488302497
Energy: 1.0147703450258676
Energy: 0.9512796309812277
Energy: 1.2461005428875038
Energy: 0.7719325357922464
Energy: 1.2461005428860767
Energy: 0.7860539258595123
Energy: 0.9568313098345245
Energy: 0.9022050321184575
Energy: 0.9568313097752968
Energy: 0.7753058018907533
Energy: 1.0461176176721796
Energy: 0.7836200181721674
Energy: 1.046117617671466
Energy: 0.7825873995690359
Energy: 1.0189693742320034
Energy: 1.1360217025447694
Energy: 1.0189693742334305
Energy: 0.7745728158733454
Energy: 0.9091452352744231
Energy: 0.7836834150399451
Energy: 0.909145235272996
Energy: 0.7847524566477445
Energy: 1.2348323616872967
Energy: 1.0508031031379166
Energy: 1.2348323616908647
Energy: 0.7738913208841117
Energy: 1.0259122339204072
Energy: 0.772096768673384
Energy: 1.0259122339204072

minimum gb energy = 0.7698981488302497 eV
minimum distance =  2.28380058573516 Angstroms
sigma value = 37


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

Energy: 0.7331768620340087
Energy: 0.7325288990534956
Energy: 0.715195439772987
Energy: 0.7325288990534956
Energy: 1.1838640307588224
Energy: 0.9250270311792601
Energy: 0.7066306395519469
Energy: 0.9250270311792601
Energy: 0.7135581073852518
Energy: 1.1534338810867197
Energy: 1.355047534333529
Energy: 1.1534338810867197
Energy: 0.7017638753304664
Energy: 0.9251179751821306
Energy: 0.7066107836578306
Energy: 0.9251179751821306
Energy: 0.7055816720638748
Energy: 0.925291911898242
Energy: 0.7010591872327419
Energy: 0.925291911898242
Energy: 0.7034038807912519
Energy: 0.9250362074618406
Energy: 0.7029403755229419
Energy: 0.9250362074606129
Energy: 0.7229460995646632
Energy: 1.1388673506569766
Energy: 0.9418772946485643
Energy: 1.1388673506569766
Energy: 0.7055175390242039
Energy: 0.7332226998939643
Energy: 0.7340827017843988
Energy: 0.7332226998939643
Energy: 0.7059118222516915
Energy: 0.9254979788965608
Energy: 0.940841214339581
Energy: 0.9254979788965608
Energy: 1.0167287519880361
Energy: 1.1534479318740247
Energy: 0.7028649539573123
Energy: 1.1534479318740247
Energy: 0.7228643170829235
Energy: 1.1393970471575474
Energy: 0.700644674433743
Energy: 1.1393970471685968
Energy: 0.9542450498452474
Energy: 1.0278321392358476
Energy: 0.706767331255673
Energy: 1.0278321392370753
Energy: 0.7062489350016087
Energy: 1.0274841677637492
Energy: 0.7030892587849739
Energy: 1.0274841677637492
Energy: 0.9414221512619936
Energy: 1.1926613531665626
Energy: 0.7069923543107955
Energy: 1.1926613531665626
Energy: 0.7322322638673505
Energy: 0.766028420708656
Energy: 0.7053182118015964
Energy: 0.766028420708656
Energy: 0.7328333337645048
Energy: 1.027581907375433
Energy: 0.706753317178727
Energy: 1.027581907375433
Energy: 0.7003297473677178
Energy: 1.1549629575395857
Energy: 0.7198572845495051
Energy: 1.1549629575383582
Energy: 0.7007708745874898
Energy: 1.2465172622120224
Energy: 0.7063672307344678
Energy: 1.2465172622120224
Energy: 0.706801713003252
Energy: 1.0286743483340781
Energy: 0.7061384574782913
Energy: 1.0286743483340781
Energy: 0.705902833637971
Energy: 1.0318373485713233
Energy: 0.7005544171101193
Energy: 1.0318373485713233

minimum gb energy = 0.7003297473677178 eV
minimum distance =  2.29811000932445 Angstroms
sigma value = 25


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

Energy: 0.6789211625974525
Energy: 0.9394055920487414
Energy: 0.6502303183840248
Energy: 0.9394055920497002
Energy: 1.1621801513747396
Energy: 0.9484685993345071
Energy: 0.645975720796419
Energy: 0.9484685993345071
Energy: 0.6422958103611732
Energy: 0.6428756961468775
Energy: 1.239312744380585
Energy: 0.6428756961468775
Energy: 0.787808258663606
Energy: 0.9482900574542539
Energy: 0.6460423887910824
Energy: 0.9482900574523364
Energy: 0.6472666823797729
Energy: 0.9483469606135281
Energy: 0.6293191709091323
Energy: 0.9483469606135281
Energy: 0.6275158753404738
Energy: 0.9481105075419977
Energy: 0.645970372322246
Energy: 0.9481105075419977
Energy: 0.6476281677071256
Energy: 0.7914609588814712
Energy: 0.8382382121189204
Energy: 0.7914609588805125
Energy: 0.630254763303264
Energy: 0.8197209367198075
Energy: 0.6435111057563558
Energy: 0.8197209367198075
Energy: 0.6476178017814583
Energy: 0.9485732554863686
Energy: 1.0491496831316196
Energy: 0.9485732554863686
Energy: 0.6318440617266836
Energy: 0.9395186993633085
Energy: 0.680258816596837
Energy: 0.9395186993633085
Energy: 0.64765454603888
Energy: 0.7913807073423302
Energy: 0.9417846516320342
Energy: 0.7913807073413714
Energy: 0.8836943291834638
Energy: 0.9954813631745976
Energy: 0.6438010185257678
Energy: 0.9954813631726802
Energy: 0.6471134940711705
Energy: 0.9486071439763117
Energy: 0.7870183514223833
Energy: 0.9486071439763117
Energy: 0.855397066853458
Energy: 0.9790636652330768
Energy: 0.6457469835392347
Energy: 0.9790636652330768
Energy: 0.6478140923533274
Energy: 0.790698614102056
Energy: 0.6274951179729713
Energy: 0.790698614102056
Energy: 0.8388023487280986
Energy: 1.1174134372615818
Energy: 0.6498118684673841
Energy: 1.1174134372615818
Energy: 0.6476358542795966
Energy: 0.8199782223084647
Energy: 0.6303475206452877
Energy: 0.8199782223084647
Energy: 0.8036239804676868
Energy: 0.9981217508471812
Energy: 0.6460392229185574
Energy: 0.9981217508462226
Energy: 0.683083036795959
Energy: 1.0332545692897293
Energy: 0.6311908654991403
Energy: 1.0332545692906878
Energy: 0.9407050954383652
Energy: 1.0880851473886506
Energy: 0.6488169586134765
Energy: 1.0880851473896092
Energy: 0.6475141030997115
Energy: 0.9987187174534643
Energy: 0.6355303209930572
Energy: 0.9987187174534643
Energy: 0.6422489865330567
Energy: 0.9488429255426941
Energy: 0.6480497796550201
Energy: 0.9488429255426941
Energy: 0.6477660084243424
Energy: 1.0212272895233372
Energy: 0.8565399207540666
Energy: 1.0212272895233372
Energy: 0.6275530367200286
Energy: 1.085076392217416
Energy: 0.6487123166484917
Energy: 1.085076392217416
Energy: 0.6460072238113229
Energy: 1.116855048638979
Energy: 0.8379624215841607
Energy: 1.116855048638979
Energy: 0.6324158848144698
Energy: 0.8198660952970727
Energy: 0.6484959358523503
Energy: 0.8198660952980313

minimum gb energy = 0.6274951179729713 eV
minimum distance =  2.30149900648143 Angstroms
sigma value = 41


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

Energy: 0.8307225388756045
Energy: 0.8321217790218013
Energy: 0.8023725595963536
Energy: 0.8321217790218013
Energy: 1.1378603862301002
Energy: 0.8258395760911152
Energy: 0.5817150753802983
Energy: 0.8258395760919012
Energy: 0.5984616736272412
Energy: 0.8200832538875059
Energy: 1.155904702567116
Energy: 0.8200832538882918
Energy: 0.8216066810607422
Energy: 0.8258201547747058
Energy: 0.5816117821373663
Energy: 0.8258201547739199
Energy: 0.5780197812910677
Energy: 0.8432675315103262
Energy: 0.6150458158358717
Energy: 0.8432675317420756
Energy: 0.6987032843768038
Energy: 0.8255185619494876
Energy: 0.5817130147988019
Energy: 0.8255185619487015
Energy: 0.5810858393742169
Energy: 0.8251503262031735
Energy: 0.7507412658938186
Energy: 0.8251503262047454
Energy: 0.5703575081027638
Energy: 0.7150920320978289
Energy: 0.578761688378036
Energy: 0.7150920320986148
Energy: 0.5841186540769565
Energy: 0.9709265122306561
Energy: 0.8959930379569286
Energy: 0.9709265122306561
Energy: 0.5722109523901573
Energy: 0.8205180301866198
Energy: 0.5993073788996552
Energy: 0.8205180301866198
Energy: 0.5810828343007207
Energy: 0.8273534470978421
Energy: 0.9808157616689331
Energy: 0.8273534470986282
Energy: 0.5732558959473019
Energy: 0.8333261888814154
Energy: 0.8314362235786101
Energy: 0.8333261888814154
Energy: 0.5838305890930386
Energy: 0.9694566278531553
Energy: 0.9815618521537774
Energy: 0.9694566278531553
Energy: 0.7858303623502711
Energy: 1.1001208796959288
Energy: 0.5992051929474227
Energy: 1.1001208796959288
Energy: 0.5810600266846595
Energy: 0.8264471378767442
Energy: 0.8231090550850784
Energy: 0.8264471378767442
Energy: 0.7656359811995594
Energy: 0.8603368934282983
Energy: 0.5786982955089383
Energy: 0.8603368934267263
Energy: 0.583758982957554
Energy: 0.96942450637259
Energy: 0.6985714479447255
Energy: 0.9694245063733758
Energy: 0.7501312274637091
Energy: 1.1349284388314564
Energy: 0.5816771184274279
Energy: 1.1349284388330285
Energy: 0.5810758620555244
Energy: 0.7159616001991892
Energy: 0.5706646955846293
Energy: 0.7159616001991892
Energy: 0.7459910436935748
Energy: 0.9189419182304766
Energy: 0.5861679306763429
Energy: 0.9189419181361977
Energy: 0.6013484834030631
Energy: 1.044215405436432
Energy: 0.5760588235435739
Energy: 1.0442154054372181
Energy: 0.9814853022728207
Energy: 1.0977998672401188
Energy: 0.5819499425451612
Energy: 1.0977998672401188
Energy: 0.8338495882777931
Energy: 0.8320973970363528
Energy: 0.5731275938433447
Energy: 0.8320973970363528
Energy: 0.8337785004078955
Energy: 0.9681595403432204
Energy: 0.5834803423265617
Energy: 0.9681595403424345
Energy: 0.601418720414122
Energy: 1.0444029760050753
Energy: 0.5770774167200998
Energy: 1.0444029760042892
Energy: 0.8198206851504383
Energy: 1.096584859409031
Energy: 0.5819128329159058
Energy: 1.096584859408245
Energy: 0.5810969670772116
Energy: 0.8685609158638599
Energy: 0.7655214283606676
Energy: 0.8685609158638599
Energy: 0.578763464504283
Energy: 0.9689305314797584
Energy: 0.5836287131134483
Energy: 0.9689305314821162
Energy: 0.5840587503927501
Energy: 1.059587462684304
Energy: 0.7501256722279348
Energy: 1.059587462684304
Energy: 0.5711570848456303
Energy: 0.9957050788759398
Energy: 0.5844799745753567
Energy: 0.9957050788767257
Energy: 0.5859309216221263
Energy: 0.9182720888882802
Energy: 0.7457634099123505
Energy: 0.918272088889066
Energy: 0.5740854431032171
Energy: 1.0435006486143017
Energy: 0.604734585171545
Energy: 1.0435006486143017

minimum gb energy = 0.5703575081027638 eV
minimum distance =  2.26371940637038 Angstroms
sigma value = 15


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

Energy: 0.7541187735815009
Energy: 0.9840920398018922
Energy: 0.8306739900988528
Energy: 0.9840920398038897
Energy: 1.1156947694315777
Energy: 0.8680036888827628
Energy: 0.5442897208699891
Energy: 0.8680036888860919
Energy: 0.5617081457246184
Energy: 0.7427449158645867
Energy: 0.6754326187012728
Energy: 0.7427449158559309
Energy: 1.0851460493212286
Energy: 0.8713910290961034
Energy: 0.5441409185126477
Energy: 0.871391029097435
Energy: 0.5418752690235797
Energy: 1.0461200605698981
Energy: 0.5266443499270623
Energy: 1.046120060569232
Energy: 0.7346556594753184
Energy: 0.8675238537088809
Energy: 0.5444249887429745
Energy: 0.8675238537075493
Energy: 0.5437581944861344
Energy: 0.7479783456195559
Energy: 0.6817516562183671
Energy: 0.7479783456208875
Energy: 0.6332401935123053
Energy: 0.7473033154459507
Energy: 0.5443136412202814
Energy: 0.7473033154466165
Energy: 0.5456783286233816
Energy: 0.9875671037070336
Energy: 0.8326524770549898
Energy: 0.9875671037063678
Energy: 0.525952664927013
Energy: 1.032607792582998
Energy: 0.5424180739936414
Energy: 1.0326077925836639
Energy: 0.543860156864966
Energy: 0.8636777562615524
Energy: 0.9267181126890982
Energy: 0.8636777562615524
Energy: 0.5276549333838565
Energy: 0.7402525184524009
Energy: 0.5623882164204744
Energy: 0.7402525184530667
Energy: 0.5457015638696909
Energy: 0.9896616027603177
Energy: 0.9941399210591133
Energy: 0.9896616027596519
Energy: 0.5276949021903817
Energy: 0.9836646288737919
Energy: 0.7543026406775114
Energy: 0.9836646288744577
Energy: 0.5438034900108045
Energy: 0.867183189158589
Energy: 1.0135906471283842
Energy: 0.8671831891592549
Energy: 0.71075600908536
Energy: 0.7419665111520334
Energy: 0.562104006837949
Energy: 0.7419665111573599
Energy: 0.5454570082487302
Energy: 0.9893025323542421
Energy: 0.8717748396949854
Energy: 0.989302532354908
Energy: 0.6943648926282951
Energy: 1.0447404659223505
Energy: 0.5424171491879773
Energy: 1.0447404659210189
Energy: 0.543813505998806
Energy: 0.8669035607029643
Energy: 0.7349740286788464
Energy: 0.8669035607036301
Energy: 0.6801262753384456
Energy: 0.7651228363630989
Energy: 0.5442410156771642
Energy: 0.7651228363624331
Energy: 0.5454943839033296
Energy: 0.8832902122922964
Energy: 0.6303318870143636
Energy: 0.8832902122909647
Energy: 0.6787984994919501
Energy: 0.9842111246412397
Energy: 0.5477485475338861
Energy: 0.9842111246419056
Energy: 0.5438269413389842
Energy: 0.9421574507160264
Energy: 0.525556370105374
Energy: 0.9421574507166922
Energy: 0.9223640554259014
Energy: 0.8634843800949386
Energy: 0.5443984041277096
Energy: 0.8634843800956044
Energy: 0.563611136503689
Energy: 1.049041662963816
Energy: 0.5284611182634433
Energy: 1.04904166296315
Energy: 0.8961885924312993
Energy: 0.986271822666151
Energy: 0.5476704886051119
Energy: 0.986271822666151
Energy: 0.7559126625410841
Energy: 0.9774122240147073
Energy: 0.5463960696828887
Energy: 0.9774122240153731
Energy: 1.012932924454437
Energy: 0.8677080946338264
Energy: 0.5441950297230892
Energy: 0.8677080946331606
Energy: 0.5635009571454151
Energy: 1.0589384482399224
Energy: 0.5316190985143537
Energy: 1.0589384482392565
Energy: 0.7401390047007195
Energy: 0.9862610102496489
Energy: 0.5479878468882325
Energy: 0.9862610102503148
Energy: 0.5439227082164411
Energy: 1.0420907341782493
Energy: 0.7082904544700898
Energy: 1.0420907341775836
Energy: 0.7342505323572419
Energy: 0.8672214943559978
Energy: 0.5441759907955941
Energy: 0.8672214943546661
Energy: 0.5456725359536163
Energy: 1.0374433659217133
Energy: 0.6797870716342816
Energy: 1.0374433659217133
Energy: 0.5313013481701327
Energy: 0.8832095608753522
Energy: 0.548067599689668
Energy: 0.8832095608766838
Energy: 0.5402923413763845
Energy: 0.9834107774741562
Energy: 0.6788002682594211
Energy: 0.9834107774734905
Energy: 0.5255871058680316
Energy: 0.9401997801269608
Energy: 0.5460497961463159
Energy: 0.9401997801269608
Energy: 0.5455642676811525
Energy: 1.0024055300315446
Energy: 0.9196463434834612
Energy: 1.0024055300315446

minimum gb energy = 0.525556370105374 eV
minimum distance =  2.31179635339615 Angstroms
sigma value = 85


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

Energy: 0.7069516646906581
Energy: 0.9423168984874428
Energy: 0.5851108716895278
Energy: 0.9423168984868654
Energy: 1.088439161081483
Energy: 0.8129205407204448
Energy: 0.4964337220969774
Energy: 0.8129205407204448
Energy: 0.678323072309847
Energy: 0.6786283627820482
Energy: 0.5931318216519308
Energy: 0.6786283627820482
Energy: 1.0520180520388331
Energy: 0.8125261522643574
Energy: 0.4965234403433274
Energy: 0.812526152264935
Energy: 0.5205889224687206
Energy: 0.659044705211497
Energy: 0.4712347453774255
Energy: 0.659044705211497
Energy: 0.7711092035129782
Energy: 0.824797840079672
Energy: 0.49642616016378677
Energy: 0.8247978400802496
Energy: 0.49416849669711727
Energy: 0.6922017363961752
Energy: 0.6056473129632876
Energy: 0.6922017363955978
Energy: 0.652681353939099
Energy: 0.8125817150700043
Energy: 0.4965217793717047
Energy: 0.8125817150688494
Energy: 0.49590325010996295
Energy: 0.6696688404259408
Energy: 0.7287927436905293
Energy: 0.6696688404253633
Energy: 0.5609240654720274
Energy: 0.6922520789234216
Energy: 0.49454596467426554
Energy: 0.6922520789199569
Energy: 0.4974695802848557
Energy: 0.8003601333263308
Energy: 0.8118554009055915
Energy: 0.8003601333263308
Energy: 0.4709133757352634
Energy: 0.9576672262928642
Energy: 0.5211528346825347
Energy: 0.9576672262928642
Energy: 0.4960509566003964
Energy: 0.6685477441313902
Energy: 0.8938766704610982
Energy: 0.6685477441319676
Energy: 0.4730935952737047
Energy: 0.6787186431501084
Energy: 0.6788891586930792
Energy: 0.678718643148376
Energy: 0.4968972788855493
Energy: 0.8120617065173507
Energy: 0.98365792578681
Energy: 0.8120617065167732
Energy: 0.472459578285403
Energy: 0.9425085548558377
Energy: 0.7075024408515831
Energy: 0.9425085548552603
Energy: 0.49599194626317883
Energy: 0.6682732191231615
Energy: 0.983277010378543
Energy: 0.6682732191231615
Energy: 0.62289097374787
Energy: 0.680101944869018
Energy: 0.6789285375377465
Energy: 0.6801019448678631
Energy: 0.4977598903850631
Energy: 0.8120735441025487
Energy: 0.8893246673624354
Energy: 0.8120735441031262
Energy: 0.6066951208567353
Energy: 0.9858268823495291
Energy: 0.5212488504090794
Energy: 0.9858268823489515
Energy: 0.49592078771427933
Energy: 0.6678231411573412
Energy: 0.7709850143607847
Energy: 0.6678231411584963
Energy: 0.6067138149621878
Energy: 0.6993538559514236
Energy: 0.4946104510339673
Energy: 0.6993538559514236
Energy: 0.49737549428304706
Energy: 0.8039546768528503
Energy: 0.6505066700557152
Energy: 0.8039546768528503
Energy: 0.6084843424682933
Energy: 0.9581792772302585
Energy: 0.49647576197101656
Energy: 0.9581792772302585
Energy: 0.4960443383972208
Energy: 0.6001687133965028
Energy: 0.5608563552391278
Energy: 0.6001687133965028
Energy: 0.8115318641070204
Energy: 0.7999925180201659
Energy: 0.49752707185536593
Energy: 0.7999925180190108
Energy: 0.522389584588182
Energy: 0.8798281155238401
Energy: 0.47203203987095754
Energy: 0.8798281155232627
Energy: 0.8126804140856233
Energy: 0.9492575602321088
Energy: 0.49634490063022896
Energy: 0.9492575602326863
Energy: 0.6801950761658383
Energy: 0.6796556158398201
Energy: 0.4728869049709405
Energy: 0.6796556158386653
Energy: 0.9829068661652576
Energy: 0.8048252579742844
Energy: 0.4983809471605103
Energy: 0.8048252579742844
Energy: 0.7090461973166964
Energy: 0.9177295632835075
Energy: 0.47235793242603713
Energy: 0.9177295632829301
Energy: 0.9055372142231295
Energy: 0.9495484322808929
Energy: 0.49646476384140714
Energy: 0.9495484322797381
Energy: 0.6803079714220998
Energy: 0.679571857210074
Energy: 0.47906053977274254
Energy: 0.679571857210074
Energy: 0.8894147067865436
Energy: 0.8047646339847243
Energy: 0.497830684617589
Energy: 0.8047646339853018
Energy: 0.5224283555040996
Energy: 0.9641407920974028
Energy: 0.6069754086944007
Energy: 0.9641407920974028
Energy: 0.6596500805731629
Energy: 0.9483686822459385
Energy: 0.4963482526072015
Energy: 0.9483686822459385
Energy: 0.4959647677974217
Energy: 0.6991088781958038
Energy: 0.6057802379710379
Energy: 0.6991088781958038
Energy: 0.6502133224093629
Energy: 0.8043513939200242
Energy: 0.4983197300688695
Energy: 0.8043513939200242
Energy: 0.49756788757575077
Energy: 0.9279471129089445
Energy: 0.6081549115214665
Energy: 0.9279471129089445
Energy: 0.47706701953233377
Energy: 0.8395978416630624
Energy: 0.49756980871977435
Energy: 0.8395978416636399
Energy: 0.4959661588274624
Energy: 0.753982168812844
Energy: 0.8117396707553409
Energy: 0.7539821687793512
Energy: 0.4708337212236475
Energy: 0.866060245511569
Energy: 0.5248385490403095
Energy: 0.8660602455121464
Energy: 0.4978665917255673
Energy: 0.9257772237605637
Energy: 0.8122748511238763
Energy: 0.9257772237599863

minimum gb energy = 0.4708337212236475 eV
minimum distance =  2.27201442835829 Angstroms
sigma value = 113


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

Energy: 0.015501494382151659
Energy: 0.016168262519584
Energy: 0.8071265990503179
Energy: 0.01616826252047185
Energy: 0.8064079075282157
Energy: 0.2558873990225197
Energy: 0.2554463943600127
Energy: 0.2558873990225197
Energy: 0.015501494382151659
Energy: 0.016168262520027926
Energy: 0.8071349024055315
Energy: 0.01616826252047185
Energy: 0.8064079075282157
Energy: 0.2558873990225197
Energy: 0.2554463943595688
Energy: 0.25588739902210045
Energy: 0.015501494382151659
Energy: 0.016168262520027926
Energy: 0.8070649980698764
Energy: 0.01616826252047185
Energy: 0.8064079075282157
Energy: 0.2558873990225197
Energy: 0.2554463943595688
Energy: 0.2558873990225197

minimum gb energy = 0.015501494382151659 eV
minimum distance =  2.54253939048664 Angstroms
sigma value = 1