Model name: model_name=EAM_NN_Johnson_1988_Cu__MO_887933271505_003
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.61472986638546
cohesive_energy=3.54027843849752
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 0.0, 2.76878552828076e-19, 3.1904143312842e-19, 3.5451362380517994e-19, 3.8490691455216e-19, 4.1124990276838794e-19, 4.34250750526092e-19, 4.54423756524786e-19, 4.721582496865319e-19, 4.8775864357179e-19, 5.01463662499026e-19, 5.13475180724124e-19, 5.23953415910484e-19, 5.3303775742526395e-19, 5.40845164162746e-19, 5.47476573250872e-19, 5.53020104404512e-19, 5.57552662102098e-19, 5.61141537762258e-19, 5.6384601192045e-19, 5.6572055858223e-19, 5.66814845223252e-19, 5.67170528436e-19, 5.667892103971079e-19, 5.65558738742196e-19, 5.633317132209359e-19, 5.599334965802219e-19, 5.84600608037286e-19, 5.795938060560359e-19, 5.72792566244706e-19, 5.6385722715688795e-19, 5.52377631574278e-19, 5.3785229821043395e-19, 5.196643890612659e-19, 4.97054472402258e-19, 4.6907726401935e-19, 4.34540744496846e-19, 3.91945276505322e-19, 3.3936023720080794e-19, 2.7429744627070197e-19, 1.93491667734912e-19, 9.2610615975102e-20, 8.87163654485016e-20, -4.76745281389674e-20, -2.2119009738350397e-19, -4.441089433550939e-19, -7.3385297455419e-19, -1.1156388490233178e-18, -1.5097983336368279e-18, -2.14374437982468e-18, -2.6998919330187602e-18, -3.4383992306947195e-18, -3.0094965457729197e-18]
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: 0.013656797946934187
Energy: -0.3040257519220616
Energy: 0.014168694163123453
Energy: 0.013836738985764969
Energy: 1.4917275365433365
Energy: 0.014066773071710168
Energy: -0.3040257519184023
Energy: -1.0158131479657864
Energy: -0.9470499837449927
Energy: -1.045597301901959
Energy: -1.0543936542709715
Energy: -1.067116888096827
Energy: 0.014168694160962718
Energy: -0.9470499837455851
Energy: -0.9714313323187057
Energy: 0.01417622278767415
Energy: -1.2058831315733425
Energy: -1.0264375348238166
Energy: 0.013836738984266395
Energy: -1.0455973019025515
Energy: 0.014176222788266609
Energy: 0.013926858398393478
Energy: -1.1965876029218787
Energy: 0.014029356809781084
Energy: 1.4917275365442773
Energy: -1.0543936542712853
Energy: -1.2058831315736214
Energy: -1.1965876029215652
Energy: -1.112259152699476
Energy: -1.0354387522054402
Energy: 0.014066773072337481
Energy: -1.0671168880974544
Energy: -1.0264375348238166
Energy: 0.014029356810408395
Energy: -1.0354387522048478
Energy: 0.014113035487442627

minimum gb energy = -1.2058831315736214 eV
minimum distance =  2.55129773008615 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.0605321123070157
Energy: 0.7745929463480531
Energy: 0.30815803187237906
Energy: 0.30328222430505636
Energy: 0.7920182798237959
Energy: 0.4998949730266406
Energy: 0.8350839993625935
Energy: -0.030745193767395564
Energy: 0.08764904655752319
Energy: -0.03544710702517952
Energy: 0.1796402022125703
Energy: 0.1099113879288903
Energy: 0.8333486282614657
Energy: 0.031565587421773414
Energy: -0.16085202209388577
Energy: 0.047367717062795876
Energy: 0.0987946697357503
Energy: 0.27453308839855517
Energy: 1.0186054628642214
Energy: 0.04317931874024736
Energy: 0.015530265539628958
Energy: -0.0318803834693279
Energy: 0.08003345646460268
Energy: 0.014973883306631935
Energy: 0.6968105789324067
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Energy: 0.20590172999103956
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Energy: -0.09640374672011186
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Energy: -0.09346150955657158
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Energy: -0.09004569964252754
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Energy: -0.12624511408122932
Energy: -0.07361040741058311
Energy: -0.11586092945234516
Energy: 0.5147915026819273
Energy: -0.12275339144993894
Energy: -0.10830343065814842
Energy: -0.011112876405726672
Energy: -0.025165028023942375
Energy: -0.13337549399343637
Energy: 0.5488156212283368
Energy: -0.09445121826143305
Energy: -0.14685692847516674
Energy: -0.000593612526748995
Energy: -0.041919962640578894
Energy: -0.1432026036512144
Energy: 0.6917008067257343
Energy: -0.11588009564621274
Energy: -0.13513114941431886
Energy: -0.13971219496850398
Energy: 0.0003192953315848085
Energy: -0.14996474752362407
Energy: 0.8903899517327646
Energy: -0.08323540383000534
Energy: -0.12203083973346819
Energy: -0.09906319944030856
Energy: -0.003615252707209868
Energy: -0.15032201349968147
Energy: 0.6965558018919855
Energy: -0.0006487224011991404
Energy: 0.01641630852471783
Energy: -0.025958267742928802
Energy: 0.10426354800368658
Energy: -0.11089926912087385
Energy: 0.94875423294529
Energy: 0.12520246825564785
Energy: 0.07437983422700291
Energy: -0.07591780205199924
Energy: 0.12929950785158756
Energy: -0.12936502016195814

minimum gb energy = -0.27189441622685173 eV
minimum distance =  2.36037941812402 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.0795359929059092
Energy: 0.5400494094302082
Energy: 0.46863654635798146
Energy: 0.4940116966871829
Energy: 0.41698773574991727
Energy: 0.4815839507792412
Energy: 0.786702067287118
Energy: 0.12096720101500648
Energy: 0.04111647466721329
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Energy: 0.16949540849139536
Energy: 0.2568220463712034
Energy: 0.960962697943114
Energy: 0.4808291082248596
Energy: 0.09681618370520717
Energy: 0.2809879192075714
Energy: 0.26122141494989165
Energy: 0.27849568551993115
Energy: 1.0126438034489984
Energy: 0.33704459398259173
Energy: 0.2570981137003311
Energy: 0.3330732433365451
Energy: 0.6396433702786235
Energy: 0.2300742761017711
Energy: 1.0185685754505773
Energy: 0.043370632531584206
Energy: 0.15101242287032318
Energy: 0.25202071946095606
Energy: 0.031175003237530075
Energy: -0.03412443740915022
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Energy: 0.12383470715559591
Energy: 0.011970972055158928
Energy: 0.09660774080426221
Energy: 0.19868012044562128
Energy: 0.055335009624797385
Energy: 0.781065418757757
Energy: -0.0010556126746965877
Energy: 0.06272956259903899
Energy: 0.08694349193918159
Energy: 0.02286176443875797
Energy: 0.07416631055278579
Energy: 0.6190750429022482
Energy: 0.11013745583016372
Energy: 0.21913433383393224
Energy: 0.1369613240031118
Energy: 0.0898019596880197
Energy: 0.03318359129245419
Energy: 0.49125588261191827
Energy: 0.0639472848258678
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Energy: 0.27277109397593097
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Energy: 0.6638102297221561
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Energy: 0.7081099934546913
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Energy: 0.4023376683403798
Energy: 0.9959992007100418
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Energy: 0.80164612717036
Energy: 0.22158057240168208
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Energy: 0.01661701461223345
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Energy: 0.17711688533134987
Energy: 0.7969516199539289
Energy: 0.1279050742469989
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Energy: 0.41582652604499004
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Energy: 0.2561327549011205
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Energy: 0.41069160384799447
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Energy: 0.17862098210722194
Energy: 0.4121592520402404
Energy: 0.24640650411007367
Energy: 0.5216784811950281
Energy: -0.09336289128953304
Energy: -0.028188928821207146
Energy: 0.28076077720168136
Energy: 0.048958985492137314
Energy: 0.09379583192981113
Energy: 0.49698072765455364
Energy: 0.10965963680249975
Energy: 0.008791052337740605
Energy: 0.21755262437051406
Energy: 0.1211937411811231
Energy: 0.17214895596035035
Energy: 0.7892645944413987
Energy: 0.13728691530076662
Energy: 0.06869626395147024
Energy: 0.2250163055018482
Energy: 0.18854379533349702
Energy: 0.07660847790574643
Energy: 0.6297940839110581
Energy: -0.03565926034293274
Energy: -0.06625919167413993
Energy: 0.14950843216541404
Energy: 0.0697029751688187
Energy: -0.057159422555261574
Energy: 0.6692153964577516
Energy: 0.16423951259328468
Energy: -0.030926551537944328
Energy: 0.19563035446985866
Energy: 0.15278098058188994
Energy: 0.06391573097057068
Energy: 0.8846864246740841
Energy: 0.09932757203632732
Energy: 0.0231265316100076
Energy: -0.002914793701785741
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Energy: 0.10018767901836927
Energy: 1.018142908055699
Energy: 0.13253438654217795
Energy: 0.11413498816006766
Energy: 0.11589644008422967
Energy: 0.13213241767415063
Energy: 0.21681112523102802

minimum gb energy = -0.09336289128953304 eV
minimum distance =  2.34088575935427 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.0077390867916913
Energy: 0.6344232968125393
Energy: 0.47439347389080666
Energy: 0.385640077269699
Energy: 0.6563967824179096
Energy: 0.3337488754304261
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Energy: 0.06589108191895038
Energy: 0.99207195358751
Energy: 0.21715651324390733
Energy: 0.25412291927476305
Energy: 0.10162054913676075
Energy: 0.2712164748445102
Energy: 0.14555406921132102

minimum gb energy = -0.09067744818686407 eV
minimum distance =  2.3488174671861 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.8314710660650765
Energy: 0.13632635258570922
Energy: 0.11564429063216007
Energy: -0.10212514336200317
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Energy: 0.04493472116280568
Energy: 0.35906644516609953
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Energy: 0.5969114638159038
Energy: 0.08851572611415358
Energy: 0.16194098511372979
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Energy: 0.1649935816121182
Energy: 0.05091134596923673
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Energy: 0.012384708132565673
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Energy: 0.09607842732502518
Energy: 0.06496847406603291
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Energy: 0.08304814246591227
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Energy: 0.06919369200149618
Energy: -0.004456904393396831
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Energy: 0.04393395635976103
Energy: 0.022152764925723194
Energy: 0.22195306390978076
Energy: -0.023545247740466683
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Energy: 0.04984272666717757
Energy: 0.03597856094214039
Energy: 0.12069243793907641
Energy: -7.99271447067848e-05
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Energy: 0.14294142094782922
Energy: -0.126742273325931
Energy: -0.16038850882104114
Energy: 0.03509461348049716
Energy: -0.11619454352333258
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Energy: 0.5187127652698982
Energy: 0.0755864503202695
Energy: 0.07870881263760178
Energy: 0.4046007392543545
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Energy: 0.27128799237353646
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Energy: -0.09065398302425769
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Energy: 0.1684632924487566
Energy: 0.05675454910381044
Energy: 0.1036511788146291
Energy: 0.6138154824397638
Energy: 0.22906139081337495
Energy: 0.2336794835480031
Energy: 0.08758195359491142
Energy: 0.3044629740860579
Energy: 0.07323248528888106
Energy: 0.32890717084354876
Energy: 0.12071050600298579
Energy: 0.0130592090112804
Energy: 0.07543415883426445
Energy: 0.13973088475157464
Energy: -0.047265288808065194
Energy: 0.3702761016694423
Energy: -0.0333974028189419
Energy: -0.08608386463612445
Energy: 0.18961984318628722
Energy: -0.07288635140969411
Energy: 0.018218628152715747
Energy: 0.2693780967740019
Energy: 0.13484412176857652
Energy: 0.06497900538269613
Energy: -0.04266498575894189
Energy: 0.08956838313151981
Energy: -0.029369420190607613
Energy: 0.6629644630008691
Energy: -0.08528542570510855
Energy: 0.1502733141440076
Energy: 0.11444320726536936
Energy: -0.04058553156865467
Energy: 0.07776961052614902

minimum gb energy = -0.16894003732357973 eV
minimum distance =  2.36869513521675 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.7903616767966095
Energy: 0.6821652841935261
Energy: 0.5170863584600462
Energy: 0.03985977492391921
Energy: 0.7027822041947898
Energy: 0.40271381861143285
Energy: 0.5115153195757692
Energy: 0.14182277954601002
Energy: -0.005827776699644335
Energy: -0.0424589242102075
Energy: 0.10432448324000208
Energy: -0.20669255688750732
Energy: 0.5662782124549397
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Energy: 0.08818682464502603
Energy: 0.29615940046886896
Energy: 0.4004191412675179
Energy: 0.06611866656923399
Energy: 0.6213688379926358
Energy: 0.20674267406587427
Energy: 0.08505481597490133
Energy: 0.28287567006040043
Energy: 0.21615245566739108
Energy: 0.13182858351699137
Energy: 0.664461218896207
Energy: -0.03354289179903769
Energy: -0.05805675557776416
Energy: 0.09153640360837643
Energy: 0.08574930467891403
Energy: -0.10281417490438581
Energy: 0.43735131921421627
Energy: -0.02611320935850789
Energy: -0.052088284165377925
Energy: 0.24918493438845968
Energy: 0.07980400229895995
Energy: 0.09258535202714527
Energy: 0.3076225528970763
Energy: -0.14284803461689607
Energy: -0.06716967500242924
Energy: 0.21523935076461076
Energy: -0.04590328984563349
Energy: 0.1458314686571651
Energy: 0.54538989861489
Energy: 0.31354609827387214
Energy: 0.29650150555018356
Energy: 0.3376731664035777
Energy: 0.23834504943021795
Energy: 0.41560142368303976
Energy: 0.8164936478634466
Energy: 0.29655677149559706
Energy: 0.03350237194532758
Energy: 0.44239379549645425
Energy: 0.304448922787636
Energy: -0.010378903189564425
Energy: 0.3168676614528582
Energy: 0.09616397163289907
Energy: -0.01372306978542273
Energy: -0.02428049874242603
Energy: 0.07495888598770303
Energy: -0.06304704288765703
Energy: 0.42480302210964876
Energy: -0.08675491976640332
Energy: -0.10447561915130155
Energy: 0.3040817230989091
Energy: 0.06263620743081108
Energy: 0.00568089871219385
Energy: 0.4784121299184689
Energy: -0.11692576980041511
Energy: -0.14428369217762044
Energy: 0.06564197475137598
Energy: 0.21947533250514906
Energy: -0.17154784027887565

minimum gb energy = -0.20669255688750732 eV
minimum distance =  2.37975286922291 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

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Energy: 0.7436286762863806
Energy: 0.9087583250914897
Energy: 0.6581805242948011
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Energy: -0.18990383463247137
Energy: 0.2526797996076747
Energy: 0.18877441240125586
Energy: 0.18045505989106445

minimum gb energy = -0.18990383463247137 eV
minimum distance =  2.38252817411604 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

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Energy: 0.08675100499289431
Energy: 0.09762701806359232
Energy: 0.30688314189253757
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Energy: -0.4969235585812104
Energy: -0.4805939172528643
Energy: -0.6044441709828295
Energy: -0.5109444505856013
Energy: -0.47396772550488836
Energy: 0.1120939380132163
Energy: 0.15406977530664914
Energy: -0.0036038314398652623
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Energy: 0.10132043721342888
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Energy: -0.48918102962726673
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Energy: 0.14009430005398898
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Energy: -0.512081797676429
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Energy: -0.14862651509434194
Energy: -0.5232083063633134
Energy: 0.006081337488193988
Energy: -0.5336850461191638
Energy: -0.4474671408846886

minimum gb energy = -0.7049217256677625 eV
minimum distance =  2.42312082185167 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

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Energy: 0.8833752479184274
Energy: 0.712694761392146
Energy: 0.40848157483195385
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Energy: -0.09863762707738036
Energy: -0.07821855983694334
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Energy: 0.4555387681695886
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Energy: 0.7092582225143139
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Energy: 0.528752583347048
Energy: 0.49983060548490577
Energy: 0.11346075910645663
Energy: 0.06725537787170735
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Energy: 0.13008210460961123
Energy: 0.047896223490334115
Energy: 0.3177792976631501
Energy: 0.07700622876140802
Energy: -0.0020895795423776504
Energy: 0.2666905225476346
Energy: 0.100007022136998
Energy: -0.009667768861318126
Energy: 0.41075951623468887
Energy: 0.11500510102431254
Energy: 0.009767370201161118
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Energy: -0.07461542465519987
Energy: -0.08136577375117757
Energy: 0.5427307098355004
Energy: 0.021509849933949575
Energy: 0.10156465472407147

minimum gb energy = -0.15214344289347664 eV
minimum distance =  2.35880558661305 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 1.1294412487458205
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Energy: 0.6174707153043985
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Energy: 0.4597557396909
Energy: 0.3977529448150452
Energy: -0.05001074918875713
Energy: 0.5511549022307167

minimum gb energy = -0.2914203352078141 eV
minimum distance =  2.29058395834548 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

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Energy: 0.49021748500659673
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minimum gb energy = -0.3225812180343792 eV
minimum distance =  2.29702172136603 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

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minimum gb energy = -0.5212179742609615 eV
minimum distance =  2.40861227341336 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

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minimum gb energy = -0.43106204841317114 eV
minimum distance =  2.33178141782798 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

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Energy: -0.3650465231899806
Energy: -0.342122763952092
Energy: -0.014494694975072142
Energy: 0.08616481393369031
Energy: -0.32597734403125067
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Energy: -0.05767024136936995
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Energy: 0.17910559286760355
Energy: 0.04217650157825273
Energy: 0.11831561488363121
Energy: 0.3090611597260491
Energy: -0.3007908855753695
Energy: -0.2347608214239618
Energy: -0.21286483676855864
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Energy: -0.14347681971880935
Energy: 0.37414898804048424
Energy: 0.25194060795476464
Energy: 0.22046412655043945
Energy: -0.04814919434532435
Energy: 0.25759851161077624
Energy: -0.12106613141912521
Energy: 0.3574722921018712
Energy: -0.09276745663729676
Energy: -0.14596249046092302
Energy: -0.08527340879388508
Energy: -0.029507909295733093
Energy: -0.30908054865671497
Energy: 0.3550735422230764
Energy: -0.18964484828091174
Energy: -0.3587710286857279
Energy: -0.17949384101256735
Energy: -0.1798565825326825
Energy: 0.002981496230250459
Energy: 0.5037242209195132
Energy: 0.07019743067575251
Energy: 0.0669635102950824
Energy: 0.07042492212528653
Energy: 0.032987666684370746
Energy: -0.09501146419642903
Energy: 0.5599408898064263
Energy: 0.04795767898129513
Energy: 0.04905188547386773
Energy: -0.303204639038797
Energy: 0.19210918158363385
Energy: -0.14526952525211798
Energy: 0.5319398591362994
Energy: 0.08779109721006476
Energy: -0.05070645776936903
Energy: 0.3420077542466553
Energy: 0.10742131703486282
Energy: -0.023853365338554856
Energy: 0.6298070184559309
Energy: -0.40372330541451357
Energy: -0.373861286564258
Energy: 0.12299449161294572
Energy: -0.4363036033289048
Energy: -0.24051454352459375

minimum gb energy = -0.4592998558820416 eV
minimum distance =  2.38087906986668 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 0.7983748944615878
Energy: 0.10624898228117545
Energy: 0.06263119594892322
Energy: -0.25788207132039387
Energy: 0.07112171843910473
Energy: 0.0556338432363153
Energy: 0.5039556865250818
Energy: -0.12977416321038807
Energy: -0.2669996586549398
Energy: -0.2586403900542252
Energy: -0.1272090196469974
Energy: -0.15944141658762306
Energy: 0.3574218410322139
Energy: -0.10552225991600693
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Energy: -0.3787083482398138
Energy: -0.11482349296056601
Energy: -0.539535602853025
Energy: 0.482423627285245
Energy: 0.011657318848120537
Energy: 0.034855571424467255
Energy: 0.24739175072229444
Energy: 0.04290721764308575
Energy: 0.08556904636034889
Energy: 0.34400387917721303
Energy: -0.36279814369966584
Energy: -0.36751830901321647
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Energy: -0.23519877083410837
Energy: -0.35062659063613205
Energy: 0.37850931756564893
Energy: -0.5341735413371883
Energy: -0.49601063590319044
Energy: -0.5131111973868033
Energy: -0.20906224132824222
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Energy: 0.47523510021508175
Energy: 0.2336453051251891
Energy: 0.07126046279344113
Energy: 0.013116811466700328
Energy: 0.2586303331852661
Energy: 0.011873999145310097
Energy: 0.6707168405039727
Energy: -0.49367302236571664
Energy: -0.4030120259007359
Energy: -0.3165439705261117
Energy: -0.3549566607030201
Energy: -0.49529372423309914
Energy: 0.5677829348096738
Energy: -0.05638818728093235
Energy: 0.10899022130092967
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Energy: 0.10547747608315514
Energy: -0.01683459866790491
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Energy: 0.01911313974385718
Energy: 0.06255427824939132
Energy: 0.12455431843990783
Energy: 0.030918147230049153
Energy: 0.10136738213446464
Energy: 0.4550268659479488
Energy: -0.07698216499419606
Energy: 0.0001955778327674743
Energy: 0.8192161555240516
Energy: -0.019676071202894222
Energy: 0.00623152114025079
Energy: 0.523388577149561
Energy: -0.14623497877352792
Energy: -0.29214275465178513
Energy: 0.06278923676019875
Energy: -0.26377389904013593
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Energy: -0.20292417085233255
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Energy: -0.44157129166830156
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Energy: 0.26602353857690825
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Energy: 0.4486618250266423
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Energy: -0.21573908922519577
Energy: -0.08890716824452824
Energy: -0.11514237665715271
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Energy: -0.20837670585376195
Energy: 0.09461211349947204
Energy: -0.18287501927891367
Energy: -0.2183024497876208
Energy: 0.3182578243030148
Energy: -0.15147566882656427
Energy: -0.02766463750152538
Energy: -0.03200439766832884
Energy: -0.27410675427728604
Energy: -0.12234196379029516
Energy: 0.49007047555926664
Energy: -0.44132349618766936
Energy: -0.533041613926131
Energy: -0.20515241936496623
Energy: -0.4006353898707952
Energy: -0.541194761739744
Energy: 0.41653363253474057
Energy: 0.14810519048688736
Energy: 0.13409120831358867
Energy: -0.15616676538964558
Energy: 0.23783361053796223
Energy: -0.08145312564377423
Energy: 0.40964453231379083
Energy: -0.2447430796638084
Energy: -0.1649025252752431
Energy: -0.26034849317305314
Energy: -0.18268245283508253
Energy: -0.334198692917557
Energy: 0.3471595823269545
Energy: -0.4263767716031165
Energy: -0.5170683289213427
Energy: -0.22013555019074704
Energy: -0.5024736237625514
Energy: -0.49787922298144294
Energy: 0.4849734678477609
Energy: -0.07848269265929053
Energy: -0.14723845031352736
Energy: 0.3583387954783034
Energy: -0.2865920875655818
Energy: -0.25098965238605625
Energy: 0.42776308835603966
Energy: -0.233858403061921
Energy: -0.12735445181756214
Energy: -0.028741170988655834
Energy: -0.21697306299152477
Energy: -0.3230431470653623
Energy: 0.43345651323944073
Energy: -0.018819630783357293
Energy: -0.0019431790746453667
Energy: 0.15035331885413203
Energy: -0.11707730644968035
Energy: 0.004367800502426934
Energy: 0.6014914633362034
Energy: 0.10256685951118814
Energy: 0.012671348052345955
Energy: -0.010434355854077159
Energy: 0.1311589139528659
Energy: 0.08402352786479773

minimum gb energy = -0.5722989626864673 eV
minimum distance =  2.35627694561324 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.41921113994819337
Energy: -0.2968430076189094
Energy: -0.4305892783937377
Energy: -0.27547241614625
Energy: -0.15271239135153122
Energy: -0.573608719245766
Energy: 0.5617588193043288
Energy: -0.0011642026001547924
Energy: -0.1201698890117443
Energy: -0.03130500990988131
Energy: 0.17206040925561222
Energy: -0.3715301351523624
Energy: 0.2194024868016914
Energy: -0.5928079381207292
Energy: -0.5554679582912952
Energy: -0.6654707064216037
Energy: -0.4508468002770562
Energy: -0.5002754706053766
Energy: 0.2695955837500007
Energy: -0.16112506541586047
Energy: -0.47543096836651333
Energy: 0.35765242978745926
Energy: -0.25822179844126614
Energy: -0.0811529683180482
Energy: 0.140591246956142
Energy: -0.5216082405534436
Energy: -0.4351970726155717
Energy: -0.006753942904374392
Energy: -0.2876213687350069
Energy: -0.5352647879222319
Energy: 0.4030082360551825
Energy: -0.36365902523176624
Energy: -0.5445106595638893
Energy: -0.6437540518134781
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Energy: -0.015813453435552436
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Energy: -0.10256682568102912
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Energy: -0.4640369550536253
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Energy: -0.5044602084877369
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Energy: -0.19595263529302995
Energy: -0.2213890332179873
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Energy: -0.30924766182073965
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Energy: 0.16713287197090634
Energy: -0.20865287420695727
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Energy: -0.3557209529930531
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Energy: -0.520130305902192
Energy: -0.3613013561247204
Energy: -0.2977934281225308
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Energy: -0.3628618408276324
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Energy: -0.06768595094664859
Energy: -0.21194187356790964
Energy: -0.23669098295042448
Energy: -0.018852347115560445
Energy: -0.24474085084854075
Energy: 0.2853620466797327
Energy: -0.2461025518702335
Energy: -0.18079175567964856
Energy: -0.30983753207716574
Energy: -0.6531958745819878
Energy: -0.33070610579484816
Energy: 0.4111795066379115
Energy: -0.2768106543001226
Energy: -0.1666550721237521
Energy: 0.009911428231455513
Energy: -0.1479429462061031
Energy: -0.1464945841874426
Energy: 0.5084357948891834
Energy: -0.07690347806666945
Energy: -0.07584464917591907
Energy: -0.16873209475564058
Energy: -0.1668527317788517
Energy: -0.23930774917396688
Energy: 0.3205487066319997
Energy: -0.019018293545444955
Energy: -0.0552007174778997
Energy: -0.019019190966917607
Energy: 0.036412537564998376
Energy: -0.0009860831824428493
Energy: 0.4731580620640905
Energy: -0.6534116225179737
Energy: -0.528783481506994
Energy: -0.2838490899741776
Energy: -0.6121517304822219
Energy: -0.5678978933383246

minimum gb energy = -0.6839917894340238 eV
minimum distance =  2.40202277580392 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.4476403317279461
Energy: -0.5197072653537413
Energy: -0.4383149311721526
Energy: -0.05011664332463276
Energy: -0.8931854992388025
Energy: -0.5494131964317911
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Energy: -0.33086480787425404
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Energy: -0.07274586776315398
Energy: -0.40337788120565327
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Energy: -0.09551861221091557
Energy: 0.44135509474682455
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Energy: -0.36226479227526404
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Energy: -0.6630069932971121
Energy: -0.6482852726438286
Energy: 0.2510284381009186
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Energy: -0.1745105374358886
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Energy: -0.47478718435721895
Energy: -0.1421538553515333
Energy: 0.12708550080198033
Energy: -0.6601419168168476
Energy: -0.6209144460237254
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Energy: -0.37706403941889266
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Energy: -0.36748606546372664
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Energy: -0.42540532429010325
Energy: -0.5927589081568702
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Energy: -0.07218705809036931
Energy: -0.3047212550246551
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Energy: 0.32879545897901435
Energy: -0.8572263334391947
Energy: -0.22369769763701988
Energy: -0.03620815934147232
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Energy: -0.23578545042877122
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Energy: -0.04306657782457093
Energy: -0.29241333119623825
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Energy: -0.43521803941054565
Energy: -0.652011191595799
Energy: -0.17877392411065982
Energy: -0.3943718506126165
Energy: -0.4801395016954929
Energy: 0.4433924300806166
Energy: -0.19308504775881727
Energy: -0.23074387164432647
Energy: -0.26110984228962175
Energy: -0.01940358169020597
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Energy: 0.6066894795561637
Energy: -0.4531796250409233
Energy: 0.24097453454764092
Energy: -0.06146900157304911
Energy: -0.7343136721094912
Energy: -0.18940493925330687

minimum gb energy = -0.8931854992388025 eV
minimum distance =  2.37354873588597 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.6529703664021389
Energy: -0.5641943277430949
Energy: -0.5649792563788824
Energy: -0.38205144822496534
Energy: -0.41864582622402313
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Energy: 0.5550335920745415
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minimum gb energy = -0.7763271951043369 eV
minimum distance =  2.33583178413103 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

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Energy: -0.2002833219327949

minimum gb energy = -0.6213077883004644 eV
minimum distance =  2.36276994575341 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

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Energy: -0.3635242563599211

minimum gb energy = -0.4557622719054099 eV
minimum distance =  2.40300301876384 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

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Energy: 0.21818485271697965
Energy: 0.06915890456392562
Energy: 0.015294126778729064
Energy: 0.19892988930772162
Energy: -0.14097524010384416
Energy: -0.06244994439002106
Energy: 0.19323538350939998
Energy: -0.1416090169874252
Energy: 0.43853222193023317
Energy: 0.3724707297460576
Energy: 0.47825004998616555
Energy: -0.03444391135333863
Energy: 0.18965283256264406
Energy: 0.2458959946907329
Energy: 0.06585394937140823
Energy: -0.21924671012818522
Energy: -0.12817933110610383
Energy: -0.054428422414559204
Energy: -0.12905592083305076
Energy: -0.20000151889475143
Energy: 0.17620659000614572
Energy: -0.14012375561722162
Energy: -0.19308465307711012
Energy: 0.30319317515433786
Energy: -0.14003299555527143
Energy: -0.26014161727403445
Energy: -0.1964446782893973
Energy: 0.24325985473837872
Energy: 0.008407726487113814
Energy: -0.19895031843701091
Energy: 0.08829634144989361
Energy: 0.08156438721206634

minimum gb energy = -0.26014161727403445 eV
minimum distance =  2.32098058711197 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.9194059644567829
Energy: 0.10388312128592324
Energy: 0.09737814814711686
Energy: -0.09185595240626054
Energy: 0.1506321926155508
Energy: 0.03300731670036799
Energy: 0.6227945991249455
Energy: 0.06589891074259566
Energy: -0.12269600412065138
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Energy: 0.06245185450130242
Energy: 0.5122606824826084
Energy: 0.672307732135088
Energy: 0.665256386879963
Energy: 0.16440264542800326
Energy: 0.4139218339797466
Energy: 0.05893840802720215
Energy: 0.6237008792919156
Energy: 0.5579181176483372
Energy: -0.08654811853243322
Energy: -0.1384038048758834
Energy: 0.5124524522545577
Energy: -0.11957878381872238
Energy: 0.6011777993706118
Energy: 0.5432950383388484
Energy: 0.064591567421097
Energy: -0.011940007757727977
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Energy: -0.06401984380475666
Energy: -0.17253464866124088
Energy: 0.9904355011794717
Energy: 0.1712052313803502
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Energy: 0.32170773651066564
Energy: -0.019372554792610044
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Energy: 0.41663847053425695
Energy: -0.008948742016148467
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Energy: -0.04115706441473323
Energy: 0.47139160016606535
Energy: -0.12558540788503472
Energy: -0.20364996006714833
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Energy: -0.1747000009328735
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Energy: 0.08283135328601132
Energy: 0.026438960112287135
Energy: -0.08564293546122548
Energy: 0.3144193202267644
Energy: -0.02788794971517053
Energy: -0.11618362991645076
Energy: -0.03372009638707657
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Energy: 0.039257325538966735
Energy: 0.024062160495505854
Energy: 0.08391427829866427
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Energy: -0.06797522362056957
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Energy: -0.05784433558734499
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Energy: 0.03300172458915424
Energy: -0.05438099915096503
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Energy: 0.049987575656355504
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Energy: 0.02900086481692477
Energy: -0.10974165058328848
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Energy: 0.029773632991416013
Energy: 0.03987602075256689
Energy: 0.057398535964233506
Energy: 0.056676296296287086
Energy: 0.045051421463895555
Energy: 0.26754782302690605
Energy: -0.07701856941566172
Energy: -0.0874561092753187
Energy: 0.050047340569709116
Energy: -0.02541963738523207
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Energy: 0.000752064016775757
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Energy: -0.07488862793479069
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Energy: -0.0322379919056474
Energy: 0.011655320220849284
Energy: 0.029966715064390366
Energy: 0.16167680868740686
Energy: -0.04744762938855839
Energy: -0.03440621273061921
Energy: 0.08279571086704784
Energy: -0.08669671237322792
Energy: -0.0154863673540058
Energy: 0.2750040020044621
Energy: -0.046476424194629794
Energy: -0.03149937588778372
Energy: 0.07121009585723063
Energy: 0.04667504624876928
Energy: -0.07266071663094803
Energy: 0.590516041987802
Energy: -0.03489488740002693
Energy: -0.16080546159666462
Energy: -0.10065121867745189
Energy: -0.008922253515906774
Energy: -0.15471292885630872
Energy: 0.3448063124973266
Energy: 0.1799879605351846
Energy: -0.059068530983229825
Energy: 0.030775701720850725
Energy: 0.10582048612830919
Energy: -0.13590243086304227
Energy: 0.31249282047644494
Energy: -0.07075120123238748
Energy: -0.016176991150394605
Energy: -4.33019343118508e-05
Energy: -0.027571062922454082
Energy: -0.1502215617902905
Energy: 0.4019051295337803
Energy: 0.02592037180547942
Energy: -0.007206460554798609
Energy: 0.10742860043547899
Energy: -0.04782315644504895
Energy: -0.040071410071936577
Energy: 0.47970696563986587
Energy: -0.04917804377802565
Energy: -0.11202174324935643
Energy: 0.1624173801230435
Energy: 0.010716786781965415
Energy: -0.10014923752043059
Energy: 0.45233506643292914
Energy: -0.03387876104496528
Energy: -0.0342126942253777
Energy: -0.051685975262638635
Energy: 0.025604945420606446
Energy: -0.1196675251865375
Energy: 0.611994517427877
Energy: 0.017033318503494013
Energy: -0.07172309554985215
Energy: 0.02244981064166022
Energy: 0.11269632953066695
Energy: -0.06343423949403122
Energy: 0.4432680899321224
Energy: 0.09885049369274544
Energy: 0.10817533505216877
Energy: 0.10582511479492988
Energy: -0.004408378300329946
Energy: -0.09017484898842423
Energy: 0.5508489111705409
Energy: -0.1392490590513846
Energy: -0.21088246123666543
Energy: 0.29158326974553084
Energy: 0.0016839320234611735
Energy: 0.4200940474009694
Energy: 0.5760879613766573
Energy: 0.12464017731671348
Energy: 0.0458694100193071
Energy: 0.05172243185618965
Energy: 0.6224006572999795
Energy: 0.23387874832131264

minimum gb energy = -0.21088246123666543 eV
minimum distance =  2.30053271283228 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.9401325933126801
Energy: 0.6900919486873881
Energy: 0.164769344242922
Energy: 0.023730435104751885
Energy: 0.2364733446715952
Energy: -0.10872010500665168
Energy: 0.5534116085199968
Energy: 0.09464215678791735
Energy: 0.22949049950302639
Energy: -0.04978750767087943
Energy: -0.04362444615222522
Energy: 0.3238114255852343
Energy: 0.2638060089140965
Energy: 0.15069301719545528
Energy: 0.1704623289387001
Energy: 0.02135138651892024
Energy: 0.07565496803571302
Energy: 0.06527323583615982
Energy: 0.3907964143037895
Energy: -0.030423634559904326
Energy: -0.07757064624552676
Energy: 0.18090017944707176
Energy: 0.31551665997127804
Energy: 0.15090305850448538
Energy: 0.5271521042438171
Energy: -0.04719904475477009
Energy: -0.1077249366772509
Energy: 0.05895330315735722
Energy: 0.5129767664309396
Energy: -0.03994455940958542
Energy: 0.8092942626002801
Energy: 0.2711184202375619
Energy: 0.034366270477138645
Energy: 0.213981192068856
Energy: 0.19632623276397557
Energy: 0.04848538473930762
Energy: 0.4900387601056312
Energy: 0.09996437547172599
Energy: -0.030974194583301907
Energy: 0.35333150186595536
Energy: 0.37555380718960485
Energy: 0.08324263519381198
Energy: 0.36048071443013585
Energy: 0.21523487628398436
Energy: 0.061526536943747434
Energy: 0.25769018516487485
Energy: -0.029559963059324224
Energy: -0.03559992490029841
Energy: 0.4299049601098351
Energy: -0.0036416964061601292
Energy: -0.0053360381571728385
Energy: 0.13661029683393766
Energy: 0.09277855606138209
Energy: -0.02259766236134242
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Energy: 0.1113881135224271
Energy: 0.06396694424836825
Energy: 0.023677230473777015
Energy: 0.39465525464832985
Energy: -0.055346889737917446
Energy: 0.32791584708439303
Energy: -0.00999473546450435
Energy: -0.09963816948247167
Energy: -0.051157353581349374
Energy: 0.09938514073899367
Energy: -0.08841543473029059
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Energy: 0.09372318689532542
Energy: 0.086609951034634
Energy: 0.16910491712308084
Energy: 0.11258368101997
Energy: 0.05044301417379335
Energy: 0.2266924921139934
Energy: 0.06972432389523543
Energy: 0.04467699636823805
Energy: 0.14435506246814153
Energy: 0.10858514158397801
Energy: 0.04960578010008694
Energy: 0.41876823526237145
Energy: 0.0776146175840206
Energy: -0.05839292682508878
Energy: 0.014771368030882881
Energy: 0.10629205583217503
Energy: -0.09304134577136612
Energy: 0.3711804739219085
Energy: 0.06396562290326732
Energy: 0.003145067972192716
Energy: 0.47451727404561467
Energy: 0.16790713661100032
Energy: -0.03902946946310553
Energy: 0.36081533330338394
Energy: -0.01518748598863241
Energy: -0.044417962861495686
Energy: 0.06779883090619336
Energy: 0.13283581966883923
Energy: 0.017392345456220853
Energy: 0.18319674846353878
Energy: -0.0031816205162526166
Energy: 0.09327100651209226
Energy: 0.14372936758572413
Energy: -0.02306134838814762
Energy: 0.055831912475065436
Energy: 0.24105860157739367
Energy: 0.028218068495622233
Energy: 0.010621316282429691
Energy: 0.19194249020476542
Energy: 0.031099844231688985
Energy: 0.09821922462485798
Energy: 0.3815997296132497
Energy: 0.010142446674432959
Energy: -0.08147047842063039
Energy: 0.002552726738439525
Energy: 0.1284621757581743
Energy: -0.06026809788134581
Energy: 0.45377293489117426
Energy: 0.1437975249312086
Energy: 0.0803685971702214
Energy: 0.15498527410671323
Energy: 0.21707506095038892
Energy: -0.07765866901549187
Energy: 0.3648027142980935
Energy: -0.03151317106258504
Energy: -0.022893696055034177
Energy: 0.14713730569661584
Energy: 0.05269862827895021
Energy: 0.47402713106184763
Energy: 0.3367402325394143
Energy: 0.07027156375006083
Energy: -0.0412146766874246
Energy: 0.08161683690513619
Energy: -0.03538294681148315
Energy: 0.04605891195541223
Energy: 0.34403144884513015
Energy: 0.1435986107929238
Energy: 0.07184067797760256
Energy: 0.5260430193712742
Energy: 0.2670318904198256
Energy: -0.0006388454304988054

minimum gb energy = -0.10872010500665168 eV
minimum distance =  2.33698782987347 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.8636565681594783
Energy: 0.27776530503796376
Energy: 0.30899287067357295
Energy: -0.030665433022289138
Energy: 0.13323850960399594
Energy: 0.12184396690800682
Energy: 0.3549815045946634
Energy: 0.17381692328826595
Energy: 0.4191936242462169
Energy: 0.1363606559838634
Energy: 0.12043912691678668
Energy: -0.042518193133355434
Energy: 0.4971711293490149
Energy: 0.27419819660352274
Energy: 0.3585754199800549
Energy: 0.21730446476035242
Energy: 0.07957281100342517
Energy: 0.13232386223903575
Energy: 0.500185153922915
Energy: 0.08372671590955433
Energy: 0.12845759105943735
Energy: 0.2092454323085672
Energy: -0.013474686927271932
Energy: 0.40199631766597216
Energy: 0.6585344007660815
Energy: 0.03806510008818646
Energy: 0.07475333370150795
Energy: 0.3290240086098484
Energy: 0.09735856191557152
Energy: 0.15322086292322323
Energy: 0.8068911899082222
Energy: 0.2421772099396776
Energy: 0.22226207611452492
Energy: 0.15991592440520505
Energy: 0.39044571391865385
Energy: 0.08070615305956388
Energy: 0.49235804319446336
Energy: 0.1953794238013599
Energy: 0.15415711528988618
Energy: 0.22971144875602093
Energy: 0.13086883080707098
Energy: 0.33388714143391157
Energy: 0.2847169500228241
Energy: 0.14853618474657018
Energy: 0.054120611894324544
Energy: 0.22698577538700954
Energy: 0.2275172142604486
Energy: 0.0947630874284652
Energy: 0.42189580563460033
Energy: 0.15778238995550398
Energy: 0.09699580072575058
Energy: 0.630079204068957
Energy: 0.19755944648626939
Energy: 0.07638492941269581
Energy: 0.44142697989961166
Energy: 0.18940544709389726
Energy: 0.13847392690801874
Energy: 0.08265539627184923
Energy: 0.2599034985406294
Energy: 0.10130079577346439
Energy: 0.4460130225310563
Energy: 0.15704375908971113
Energy: 0.08609833369238747
Energy: 0.09566747001798823
Energy: 0.17072701304710566
Energy: 0.10992189232627081
Energy: 0.3878791463989867
Energy: 0.21260393693996796
Energy: 0.25081100123963906
Energy: 0.2528284761997813
Energy: 0.1488047998713561
Energy: 0.2831479438112266
Energy: 0.372171082147036
Energy: 0.1816568438842575
Energy: 0.18069527681581277
Energy: 0.24083143194263598
Energy: 0.12344371981298301
Energy: 0.14987080647537537
Energy: 0.458115061034012
Energy: 0.18348554764690939
Energy: 0.0988760417475685
Energy: 0.08062031327138658
Energy: 0.16146973245450497
Energy: 0.05222485719967302
Energy: 0.4625292655767265
Energy: 0.24841588185493116
Energy: 0.1509512517684743
Energy: 0.1096467357989519
Energy: 0.24153377188528424
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Energy: 0.4700545828775087
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Energy: 0.2583299618186703
Energy: 0.2245168532382813
Energy: 0.13072380424829347
Energy: 0.5272562736201
Energy: -0.0032371507542120212
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Energy: 0.1892625279992846
Energy: 0.12436138273396909
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Energy: 0.24009622717127047
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Energy: 0.6861569741316542
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Energy: 0.06387981673524384
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Energy: 0.038174468522360804
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Energy: 0.4671615066730151
Energy: 0.2661631357251631
Energy: 0.027558024283121263
Energy: 0.5087931746148125
Energy: 0.1414656767749961
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Energy: 0.5940058644815419
Energy: 0.17619413365537506
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Energy: 0.2727990895549221
Energy: 0.42983610300279734
Energy: 0.09940325770094502
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Energy: 0.059351884149011144
Energy: 0.1931910379279576
Energy: 0.05530512973503629
Energy: 0.4913433692784305
Energy: 0.16168682207780088
Energy: 0.1215934079284994
Energy: 0.22556557799662186
Energy: 0.2653363525638536
Energy: 0.22965198632809047
Energy: 0.26522355890691823
Energy: 0.2504804674350695
Energy: 0.147356107076734
Energy: 0.2312531000773793
Energy: 0.08853058853844639
Energy: 0.17361188913071
Energy: 0.5042882575839566
Energy: 0.11227531507868017
Energy: 0.09742004889260564
Energy: 0.16413445886170228
Energy: 0.1011706688537738
Energy: 0.1794199446224421
Energy: 0.4037847869340158
Energy: 0.23625783664907338
Energy: 0.12676195182165834
Energy: 0.1107285092327893
Energy: 0.23031253960923406
Energy: 0.0952980339435225
Energy: 0.44675068905505994
Energy: 0.12946965256172321
Energy: 0.18740261834284938
Energy: 0.24892644517932264
Energy: 0.25478046630394763
Energy: 0.14479620245291497
Energy: 0.372022681359564
Energy: 0.19441827644669374
Energy: 0.18838845289027542
Energy: 0.3000134285696775
Energy: 0.15435631780110237
Energy: 0.2549890374733856
Energy: 0.3804457445290461
Energy: 0.14025299686783546
Energy: 0.11323637557725977
Energy: 0.28241604637153234
Energy: 0.11999965507644964
Energy: 0.18408688535545498
Energy: 0.5307370831909679
Energy: 0.06388864298195795
Energy: 0.19063471511733335
Energy: 0.07613455158528729
Energy: 0.18275920266148918
Energy: 0.09474259290203797
Energy: 0.49219093113560014
Energy: 0.21946857491546107
Energy: 0.19107176652686436
Energy: 0.11920207668225341
Energy: 0.2305796223592907
Energy: 0.14736876500281407
Energy: 0.42591651058998864
Energy: 0.24762278509756647
Energy: 0.08295262465420847
Energy: 0.13410240286277447
Energy: 0.2670127029022231
Energy: 0.050571318332125234
Energy: 0.5695813331768744
Energy: 0.08882564516438406
Energy: 0.043929741061173665
Energy: 0.1463148183596314
Energy: 0.1801738196577832
Energy: 0.02473630723881663
Energy: 0.727853594421667
Energy: 0.3315690128051214
Energy: 0.1382304001051966
Energy: 0.10564040967060571
Energy: 0.17887748371663312
Energy: 0.09858879531295864
Energy: 0.7152954889401759
Energy: 0.0799496348761298
Energy: 0.2242053136392073
Energy: 0.2978027969894662
Energy: 0.0739948678524265
Energy: 0.12766852175205023

minimum gb energy = -0.042518193133355434 eV
minimum distance =  2.34614707881724 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.8876117556064996
Energy: 0.39759378341877355
Energy: 0.21983420125812445
Energy: 0.11868324026167704
Energy: 0.4353053732831702
Energy: 0.18844387755210357
Energy: 0.4628705056239789
Energy: 0.12046565689942283
Energy: 0.5753484428061664
Energy: 0.6677986259372237
Energy: 0.3637562544586335
Energy: 0.07817982557504087
Energy: 0.46840518805944703
Energy: 0.19405896741854164
Energy: 0.11080721504772824
Energy: 0.5050464741869818
Energy: 0.40662521292113735
Energy: 0.2743851679697064
Energy: 0.5264642679663948
Energy: 0.07541660396744257
Energy: 0.33145746560239514
Energy: 0.5889411498891955
Energy: 0.07725335768420885
Energy: 0.46829993488273103
Energy: 0.46092383948801896
Energy: 0.1833956249338786
Energy: 0.36311374974032956
Energy: 0.23807852394244555
Energy: 0.39051356898489203
Energy: 0.1307653430655147
Energy: 0.7326406134073383
Energy: 0.298087479760846
Energy: 0.22420130831624493
Energy: 0.25487555799599976
Energy: 0.422408299505537
Energy: 0.07079845317460348
Energy: 0.37003018741927274
Energy: 0.2486911417093652
Energy: 0.2618263805848181
Energy: 0.2946256473608092
Energy: 0.3405447022739603
Energy: 0.24837948897298667
Energy: 0.32091722494161096
Energy: 0.2764984254153604
Energy: 0.21161812662663262
Energy: 0.3400949810678173
Energy: 0.23634563868537653
Energy: 0.2702361863201371
Energy: 0.48610659203298534
Energy: 0.14125723991824782
Energy: 0.21985165276370386
Energy: 0.1865564014429978
Energy: 0.24460577746538587
Energy: 0.2071373011356178
Energy: 0.6089807254821622
Energy: 0.37087961385194546
Energy: 0.2580598471614868
Energy: 0.06938327460246405
Energy: 0.37542778219670286
Energy: 0.2716878721958026
Energy: 0.42945381810156275
Energy: 0.21042293168148335
Energy: 0.19602708130277158
Energy: 0.12234093314583556
Energy: 0.17397240503848316
Energy: 0.16825907895634867
Energy: 0.4343290695271797
Energy: 0.15285571879923524
Energy: 0.12953315288999134
Energy: 0.28599373122726335
Energy: 0.15617890047439495
Energy: 0.196332123436269
Energy: 0.4646890910875851
Energy: 0.26082489321587815
Energy: 0.2241465806326112
Energy: 0.18249932843737204
Energy: 0.25597127846305157
Energy: 0.16974584721389782
Energy: 0.9011489479237171
Energy: 0.5394664383594373
Energy: 0.16033460911949057
Energy: 0.18049292975813797
Energy: 0.39766988311568763
Energy: 0.172591442869079

minimum gb energy = 0.06938327460246405 eV
minimum distance =  2.34108511559064 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 0.7850396306937232
Energy: 0.6603387896830204
Energy: 0.48225588783113604
Energy: 0.41478843583852937
Energy: 0.8243412684034471
Energy: 0.4495023172306737
Energy: 0.5904819352842317
Energy: 0.351669348309349
Energy: 0.36898366303568386
Energy: 0.342334522483246
Energy: 0.4663781146682573
Energy: 0.30937696276650983
Energy: 0.39099666105168474
Energy: 0.4959288088938452
Energy: 0.29088681033350855
Energy: 0.4146561203913484
Energy: 0.2920669422879342
Energy: 0.22097648559627642
Energy: 0.38893544445488437
Energy: 0.21831800591094855
Energy: 0.17233755680517357
Energy: 0.26085176530699344
Energy: 0.16756358368495114
Energy: 0.21097271173521925
Energy: 0.34928203185125223
Energy: 0.452722039248772
Energy: 0.42300499480836434
Energy: 0.350225233170392
Energy: 0.5926134129768683
Energy: 0.3180637236498453
Energy: 0.5675495361264092
Energy: 0.3297313826512246
Energy: 0.27751078864128587
Energy: 0.31005094133402544
Energy: 0.353066586629676
Energy: 0.3020113805095622
Energy: 0.4744554464150933
Energy: 0.35265436992832394
Energy: 0.31108006134647787
Energy: 0.47957644626143875
Energy: 0.3978375878493086
Energy: 0.3735667912097182
Energy: 0.46503460377548833
Energy: 0.25993876407741917
Energy: 0.31040169549742885
Energy: 0.5121824270790578
Energy: 0.3284165398864412
Energy: 0.41644704003561334
Energy: 0.6761061875556349
Energy: 0.5403476611787876
Energy: 0.21193973524780213
Energy: 0.137185020380088
Energy: 0.33766556978141216
Energy: 0.32897601545333904
Energy: 0.7004375033550387
Energy: 0.34858513205864905
Energy: 0.5966665618404404
Energy: 0.20504575321943866
Energy: 0.33124569670734927
Energy: 0.28259335275718833
Energy: 0.5295292219570604
Energy: 0.245227078135555
Energy: 0.3420271373111028
Energy: 0.5334567563113611
Energy: 0.23830583420677517
Energy: 0.406975969687909
Energy: 0.5419191949716117
Energy: 0.45154199447449606
Energy: 0.40699714453991703
Energy: 0.6677765763773031
Energy: 0.42596586363973366
Energy: 0.5153433898246257
Energy: 0.5495799777393953
Energy: 0.30590088824085204
Energy: 0.29294955001622003
Energy: 0.5478527654208851
Energy: 0.3744058117149949
Energy: 0.19213800118282334
Energy: 0.6710195792733198
Energy: 0.374184155121032
Energy: 0.3099602972070662
Energy: 0.3841215335918522
Energy: 0.40475664210632045
Energy: 0.2974369050786814
Energy: 0.5942205212804165
Energy: 0.26133744600317677
Energy: 0.21177702737166598
Energy: 0.2839505137746308
Energy: 0.24615996949913516
Energy: 0.18220930947297437
Energy: 0.45534919877734054
Energy: 0.3567624387426484
Energy: 0.30981375540404543
Energy: 0.5274812534271538
Energy: 0.7604561798288134
Energy: 0.39720375473063807
Energy: 0.4644951322574664
Energy: 0.30959926483834305
Energy: 0.24321852728795917
Energy: 0.40616610044601914
Energy: 0.25845400050145423
Energy: 0.29442560801921513
Energy: 0.5845084993469005
Energy: 0.5157494398446445
Energy: 0.479304460610933
Energy: 0.4040099629935939
Energy: 0.4967432972740419
Energy: 0.4789866622102742
Energy: 0.5133422676252798
Energy: 0.4172715265437765
Energy: 0.3415542896826326
Energy: 0.5308956268621042
Energy: 0.494798518122695
Energy: 0.2885477723654873
Energy: 0.6358825925107451
Energy: 0.34040990539476834
Energy: 0.38150153970769146
Energy: 0.41046850868277013
Energy: 0.11079427549454535
Energy: 0.28614967301020194
Energy: 0.5600081368987679
Energy: 0.21984284860892084
Energy: 0.24539415208590634
Energy: 0.4177117216281389
Energy: 0.18444817456238533
Energy: 0.2948885513447521
Energy: 0.6668476521814855
Energy: 0.3209280747931231
Energy: 0.28132427042263924
Energy: 0.39317072658423735
Energy: 0.6525387791866487
Energy: 0.27215123359959487
Energy: 0.7376937536275299
Energy: 0.3569522591997342
Energy: 0.3859831492915837
Energy: 0.2234023453224549
Energy: 0.5077823016456313
Energy: 0.23479194213971868
Energy: 0.555019447772365
Energy: 0.46236870913589806
Energy: 0.3243855097442657
Energy: 0.5168331021920137
Energy: 0.3538107620529131
Energy: 0.308514496263031
Energy: 0.49763502102039125
Energy: 0.3724438894508054
Energy: 0.4046690315407576
Energy: 0.5039047463806148
Energy: 0.4094764073870846
Energy: 0.4470161487630679
Energy: 0.4000802291506858
Energy: 0.2547418015461876
Energy: 0.23616829420047294
Energy: 0.22892516762448895
Energy: 0.32497522945337265
Energy: 0.2644461836697511
Energy: 0.6499977770850588
Energy: 0.5419396666000323
Energy: 0.5150454516707768
Energy: 0.2909604768161706
Energy: 0.5233822534065808
Energy: 0.42174815807318916
Energy: 0.3589194779440865
Energy: 0.25994732743311283
Energy: 0.19954612235166916
Energy: 0.35871532627459024
Energy: 0.38002098547242347
Energy: 0.16426533275037578
Energy: 0.46598967840719197
Energy: 0.3440091769542239
Energy: 0.2887372949269039
Energy: 0.5568954910584794
Energy: 0.33159577059263173
Energy: 0.4030974786611799
Energy: 0.5944926182552297
Energy: 0.27234969549173993
Energy: 0.22683956213453568
Energy: 0.41231395948825816
Energy: 0.5382713747344727
Energy: 0.29635120798054604
Energy: 0.9086433226297422
Energy: 0.5341852273969081
Energy: 0.4902047049448226
Energy: 0.29233798748996315
Energy: 0.6451381785300944
Energy: 0.47853933803826

minimum gb energy = 0.11079427549454535 eV
minimum distance =  2.31360702694286 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 0.46781506764907815
Energy: 1.0173486767685849
Energy: 0.6369190530432769
Energy: 0.9432961565303442
Energy: 0.9400528736375602
Energy: 0.6023613038886361
Energy: 0.6481511293184145
Energy: 0.4214479983764977
Energy: 0.5063269188895305
Energy: 0.6743313609723209
Energy: 0.5572548500040101
Energy: 0.46562696283555755
Energy: 0.784227566237448
Energy: 0.6098760540747501
Energy: 0.46976547886812753
Energy: 0.8501484124390197
Energy: 0.3510821376790032
Energy: 0.22755408295955776
Energy: 0.31545836014012957
Energy: 0.11973084246710514
Energy: 0.17348086563671924
Energy: 0.32301528967332455
Energy: 0.3207301862216151
Energy: 0.21369080643959348
Energy: 0.6218963003046559
Energy: 0.34937487068313616
Energy: 0.36754409570118396
Energy: 0.24559084791321245
Energy: 0.9241048664185051
Energy: 0.3735193663997103
Energy: 0.7436755877971267
Energy: 0.3969315732170754
Energy: 0.42456926427007874
Energy: 0.29905795182692724
Energy: 0.35732123981861913
Energy: 0.29090314001410067
Energy: 0.4331934113843447
Energy: 0.453375095368952
Energy: 0.462916503335872
Energy: 0.5143784548511129
Energy: 0.5639133991048414
Energy: 0.47375909292082397
Energy: 0.6330395387080181
Energy: 0.2855203286416524
Energy: 0.2909989251318489
Energy: 0.6252975931866454
Energy: 0.3350435759935727
Energy: 0.2776799421179334
Energy: 0.30710259663584333
Energy: 0.4536035902136075
Energy: 0.4701496700391914
Energy: 0.31919923271141587
Energy: 0.4595575696807072
Energy: 0.3291907490571982
Energy: 0.28477886226815335
Energy: 0.4725742376833575
Energy: 0.34442058335459075
Energy: 0.34975969647562205
Energy: 0.49963416100366914
Energy: 0.3626964700154796
Energy: 0.639740297447041
Energy: 0.15766487958895156
Energy: 0.18477676928962175
Energy: 0.57094021479097
Energy: 0.17496242248848318
Energy: 0.21410381667409803
Energy: 0.676025038760024
Energy: 0.4729531836532169
Energy: 0.5212797157451275
Energy: 0.6495344069254223
Energy: 0.43939899369609864
Energy: 0.5375968735003147
Energy: 0.540175883317456
Energy: 0.25165430326894483
Energy: 0.34268282105682263
Energy: 0.38045781885069724
Energy: 0.4537465618056128
Energy: 0.4803782379017214
Energy: 0.7523980150032731
Energy: 0.45819152364358834
Energy: 0.4773094662911291
Energy: 0.2526029544529572
Energy: 0.9856491946672881
Energy: 0.49924678539139467
Energy: 0.5850924866225984
Energy: 0.21292376235258123
Energy: 0.07162742893631273
Energy: 0.36611476705723056
Energy: 0.21092063022924654
Energy: 0.16072214307252822
Energy: 0.6054581545477523
Energy: 0.42000536375604963
Energy: 0.4843604293524279
Energy: 0.6637437989390372
Energy: 0.3457065004865033
Energy: 0.40700518542920594
Energy: 0.446842788746217
Energy: 0.3329611893239923
Energy: 0.3706489174015694
Energy: 0.349247953896795
Energy: 0.5135384150359232
Energy: 0.32027875222559044

minimum gb energy = 0.07162742893631273 eV
minimum distance =  2.34829911493378 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 0.9121894847153214
Energy: 0.8484230966209431
Energy: 0.6875728318265394
Energy: 0.6200035301179253
Energy: 1.2361099345165318
Energy: 0.6351454427443479
Energy: 0.6365865644359247
Energy: 0.40114795119099217
Energy: 0.36467088377228374
Energy: 0.2630909255779263
Energy: 0.4514337557514178
Energy: 0.2772370726336068
Energy: 0.7550398732292946
Energy: 0.4687680826904396
Energy: 0.38992445316809093
Energy: 0.46872782943273006
Energy: 0.4159913293006238
Energy: 0.40855211801992247
Energy: 0.39351971496580296
Energy: 0.2966477434252269
Energy: 0.24844143489244452
Energy: 0.36768599966362925
Energy: 0.2409867810180962
Energy: 0.34150172487025604
Energy: 0.45733107067853246
Energy: 0.5001142413019715
Energy: 0.47041741472668747
Energy: 0.5033691190629574
Energy: 0.4638298063279972
Energy: 0.45787724041829075
Energy: 0.42753149894261316
Energy: 0.33738463669243124
Energy: 0.33302454340140514
Energy: 0.43392851556271256
Energy: 0.409203463952347
Energy: 0.3123155494388207
Energy: 0.7672048110045788
Energy: 0.4510645489731645
Energy: 0.5112919041036245
Energy: 0.687366859790144
Energy: 0.4760605439275246
Energy: 0.5232993850477305
Energy: 0.6233734639110688
Energy: 0.41101425471192404
Energy: 0.40186596118614626
Energy: 0.5413027163674632
Energy: 0.3110647461799842
Energy: 0.37561359550575063
Energy: 0.43933921986491375
Energy: 0.4705301572261532
Energy: 0.43838668021704613
Energy: 0.3355789535837226
Energy: 0.4946796461645212
Energy: 0.4091674135899928
Energy: 0.4679579100707181
Energy: 0.41404257760392765
Energy: 0.6042921150019905
Energy: 0.29353240091383676
Energy: 0.5064442296185148
Energy: 0.33638506249857403
Energy: 0.6363336816478888
Energy: 0.3136056486801643
Energy: 0.40727839789405745
Energy: 0.5906563098151972
Energy: 0.3529866764652601
Energy: 0.426878987505788
Energy: 0.6504097809645084
Energy: 0.4156852339258943
Energy: 0.3934790705646153
Energy: 0.3494149389843273
Energy: 0.3812844675133254
Energy: 0.36241893016495075
Energy: 0.5242760728093185
Energy: 0.45722669258565907
Energy: 0.42310165918227255
Energy: 0.29960958998820947
Energy: 0.47434382831796057
Energy: 0.36254128703325034
Energy: 0.43896902091474527
Energy: 0.47330976375100886
Energy: 0.45241135604400445
Energy: 0.8858935835984435
Energy: 0.688271100368828
Energy: 0.33197889346064063
Energy: 0.6819136111662779
Energy: 0.4905137143384138
Energy: 0.5064350095281437
Energy: 0.6527150019024478
Energy: 0.5292590942443745
Energy: 0.48377246370208943
Energy: 0.7667146120412626
Energy: 0.44203451364406576
Energy: 0.44233919314496195
Energy: 0.8886494931235376
Energy: 0.508856260842717
Energy: 0.5009689862670854
Energy: 0.7970597369994128
Energy: 0.6169892564806778
Energy: 0.32035617619902795
Energy: 0.4146896542817552
Energy: 0.6408060390408856
Energy: 0.23082224704876195
Energy: 0.5886453404132279
Energy: 0.500214715876954
Energy: 0.4241751164289839
Energy: 0.44553864342037375
Energy: 0.5251004229167272
Energy: 0.4726498555370566
Energy: 0.5528238293795515
Energy: 0.3137000411446145
Energy: 0.2960527759522713
Energy: 0.38582404104200435
Energy: 0.4308411411770578
Energy: 0.2838808266038307
Energy: 0.6797926803075515
Energy: 0.333631510070161
Energy: 0.48108219761293713
Energy: 0.4398931324870344
Energy: 0.39796939017558175
Energy: 0.4648133288394655
Energy: 0.48852997008509796
Energy: 0.48181626516738574
Energy: 0.34323255512068235
Energy: 0.35183041540885296
Energy: 0.37537488788139534
Energy: 0.34893968816230414

minimum gb energy = 0.23082224704876195 eV
minimum distance =  2.2959723030469 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 0.5831227439469411
Energy: 1.0525297334143466
Energy: 0.5210941443511922
Energy: 0.8453098172338774
Energy: 1.1224441139641208
Energy: 0.48646795585724606
Energy: 0.5848027000671397
Energy: 0.8620472379855006
Energy: 0.48875446269338246
Energy: 0.25072594218958
Energy: 0.7203975351603144
Energy: 0.40329973490908555
Energy: 0.9143726903800596
Energy: 0.31478889448921277
Energy: 0.4195620914622171
Energy: 0.3665915064567296
Energy: 0.5692710385540702
Energy: 0.23395058759433104
Energy: 0.6978782217112697
Energy: 0.17085491655874582
Energy: 0.13967723421674436
Energy: 0.2890218079378435
Energy: 0.13313373728756428
Energy: 0.1910771964887546
Energy: 0.4891251307533438
Energy: 0.4933613962675486
Energy: 0.4158953980981953
Energy: 0.43314655576129013
Energy: 0.6307357485946274
Energy: 0.4513348379709017
Energy: 0.4841984075455087
Energy: 0.41566453739863946
Energy: 0.3615983098105698
Energy: 0.27193672860147705
Energy: 0.5661469515040471
Energy: 0.3291559779126796
Energy: 0.9294037305696029
Energy: 0.486283620140256
Energy: 0.49937825968996286
Energy: 0.5990507290610585
Energy: 0.472054913291303
Energy: 0.49056342708637013
Energy: 0.6190321026436332
Energy: 0.4143601462149051
Energy: 0.29708885581863914
Energy: 0.62416096757191
Energy: 0.3679531400991437
Energy: 0.38480036590384686
Energy: 0.8632987917487351
Energy: 0.9865003389672345
Energy: 0.28360857945646617
Energy: 0.19487787850956861
Energy: 0.9823749999233714
Energy: 0.26478627238184077
Energy: 0.6000279377087765
Energy: 0.22297711029723666
Energy: 0.15808827635019973
Energy: 0.19131502121087812
Energy: 0.20661133134218407
Energy: 0.2319474276382438
Energy: 0.7309228603121195
Energy: 0.3201685910352529
Energy: 0.35392672544847714
Energy: 0.5278398463254445
Energy: 0.41415530411108126
Energy: 0.43697688544062474
Energy: 0.6734114257811088
Energy: 0.2775913072232573
Energy: 0.28505963533377865
Energy: 0.3443824812813937
Energy: 0.36148742483499546
Energy: 0.3140883083994026
Energy: 0.3878392898498814
Energy: 0.43654822107896424
Energy: 0.4928168459000351
Energy: 0.5732251313948178
Energy: 0.5732642367296187
Energy: 0.45789640939766885
Energy: 0.30862811081164654
Energy: 0.4836618438369965
Energy: 0.3163703641496065
Energy: 0.36569166516503127
Energy: 0.45686854355165857
Energy: 0.4041753236508725
Energy: 0.8599503366967634
Energy: 0.1777685991562289
Energy: 0.25577748874324513
Energy: 0.4003381933107411
Energy: 0.2855762055082215
Energy: 0.27737946934097396
Energy: 0.917735823066544
Energy: 0.2533105215827858
Energy: 0.2540712579191919
Energy: 0.9557506773693202
Energy: 0.24531713252344406
Energy: 0.30395193993747394
Energy: 0.4082682564641385
Energy: 0.42132851994457954
Energy: 0.4425424040564648
Energy: 0.42318392226637985
Energy: 0.7007903752612691
Energy: 0.5056659028813438
Energy: 0.5394760812549535
Energy: 0.4584214477559885
Energy: 0.4091289683421041
Energy: 0.5478092844023879
Energy: 0.5088252362650146
Energy: 0.34968965151523623
Energy: 0.6427104478569039
Energy: 0.41848399736837244
Energy: 0.39426494096460313
Energy: 0.5438757525641792
Energy: 0.39713053818198474
Energy: 0.39073056783226756
Energy: 0.535671765586001
Energy: 0.4553144386165643
Energy: 0.3736397723105838
Energy: 0.5196622054595105
Energy: 0.3488049225865283
Energy: 0.40761557139976407
Energy: 0.6839607439694221
Energy: 0.3128119257055901
Energy: 0.28043580133036317
Energy: 0.31273482931993624
Energy: 0.3762811772471598
Energy: 0.23948243881705883
Energy: 0.601712698765401
Energy: 0.2730691845953443
Energy: 0.24694643956851026
Energy: 0.6817004137916531
Energy: 0.3261768149125625
Energy: 0.7132350730256498
Energy: 0.7079020754292532
Energy: 0.23058572359769008
Energy: 0.3318171797093034
Energy: 0.7094545766957924
Energy: 0.26954275696665775
Energy: 0.27425619976945675
Energy: 0.6607470111757279
Energy: 0.3571166038791241
Energy: 0.2990366515930382
Energy: 0.6061554068250947
Energy: 0.4136685335537914
Energy: 0.29524533636930356
Energy: 0.5914457438103613
Energy: 0.5340450074657407
Energy: 0.4440516399774083
Energy: 0.42747214905775005
Energy: 0.4909477301802268
Energy: 0.5071492276945496

minimum gb energy = 0.13313373728756428 eV
minimum distance =  2.3276111580135 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.102757936701125
Energy: 1.0774174724826746
Energy: 0.8212087879746203
Energy: 0.7539869668891164
Energy: 1.132222741809965
Energy: 0.8352080586433472
Energy: 0.7401775866734643
Energy: 0.4249089283082357
Energy: 0.34519549735345145
Energy: 0.3013602054325713
Energy: 0.3530783908938824
Energy: 0.26252571999941926
Energy: 0.6264275084527551
Energy: 0.4226078371168047
Energy: 0.3472928999171416
Energy: 0.37620754826941266
Energy: 0.3650940496440627
Energy: 0.4062194210460013
Energy: 0.6832324136095191
Energy: 0.20473446560321465
Energy: 0.28833662148576067
Energy: 0.3231959069599711
Energy: 0.20768894874214192
Energy: 0.22650632733910403
Energy: 0.42538574299245796
Energy: 0.40300807706396446
Energy: 0.4015493728666429
Energy: 0.35289998764054825
Energy: 0.4653046107270232
Energy: 0.414864417806803
Energy: 0.4705744683632228
Energy: 0.2393447839724049
Energy: 0.23982773769404683
Energy: 0.3992279794864352
Energy: 0.2667052957006448
Energy: 0.25462750090656827
Energy: 0.9073035666592163
Energy: 0.8193830000998391
Energy: 0.7733243501041059
Energy: 0.9875059498384597
Energy: 0.3372329401717337
Energy: 0.7975961542052273
Energy: 0.5618789515595969
Energy: 0.37292952978454486
Energy: 0.3348796525752147
Energy: 0.42541860147189187
Energy: 0.3099567636895257
Energy: 0.3560799918985497
Energy: 0.5925067379744923
Energy: 0.481622659032559
Energy: 0.37953373683084296
Energy: 0.4666181662897599
Energy: 0.5161214561782093
Energy: 0.38193590507030606
Energy: 0.4885450590990796
Energy: 0.27620797880436765
Energy: 0.22520864910120608
Energy: 0.20097985162637086
Energy: 0.3219144902120355
Energy: 0.24408256051174151
Energy: 0.8566787427887278
Energy: 0.4822247362704487
Energy: 0.5030764415511217
Energy: 0.6708976534656217
Energy: 0.5871237737739572
Energy: 0.47503691216568616
Energy: 0.5830467483363206
Energy: 0.3226808275960581
Energy: 0.32839363467107424
Energy: 0.3149845259496119
Energy: 0.46147476659791903
Energy: 0.2994358214667635
Energy: 0.7195482303967076
Energy: 0.38068084317621714
Energy: 0.44940054631560283
Energy: 0.432648668418865
Energy: 0.47695208922544374
Energy: 0.4459294148816039
Energy: 0.5237559382960633
Energy: 0.26720496890892254
Energy: 0.23071871393168447
Energy: 0.30056559133152144
Energy: 0.520563503164734
Energy: 0.27557471287584684
Energy: 0.597273359180112
Energy: 0.3244492310882266
Energy: 0.31417591426263997
Energy: 0.4006658384320132
Energy: 0.44354579405168176
Energy: 0.36001754218090887
Energy: 0.6362944971425553
Energy: 0.3152244667095761
Energy: 0.3091351643519933
Energy: 0.3439589803508441
Energy: 0.3161275255981704
Energy: 0.3266253507103005
Energy: 0.7301825631074453
Energy: 0.3841004770898837
Energy: 0.39488934268355746
Energy: 0.3151238783688799
Energy: 0.36859824404862557
Energy: 0.732618199353296
Energy: 0.4496917866026957
Energy: 0.3380031852750851
Energy: 0.31285019093395416
Energy: 0.32651794760995906
Energy: 0.5956921525361811
Energy: 0.28631156536620944
Energy: 0.7878314910091639
Energy: 0.3729869460130796
Energy: 0.38617377644184114
Energy: 0.39060658605138127
Energy: 0.3810539338161688
Energy: 0.36397050844050804
Energy: 0.47255416961522206
Energy: 0.38881923984443684
Energy: 0.3202858650051608
Energy: 0.4425823442328221
Energy: 0.3724367322978502
Energy: 0.2852151223530457
Energy: 0.4034498487070348
Energy: 0.36741827607648475
Energy: 0.3715851008563416
Energy: 0.3543196627736785
Energy: 0.33775476290723844
Energy: 0.32032350980946467
Energy: 0.4057482490037963
Energy: 0.3686379013272966
Energy: 0.3484045595997557
Energy: 0.41405467434868387
Energy: 0.3567808650913183
Energy: 0.3384886139435724
Energy: 0.7341185187100633
Energy: 0.34562619690821
Energy: 0.2958886389423466
Energy: 0.40144972484311525
Energy: 0.2280945709173978
Energy: 0.2680291235807213
Energy: 0.787304254366813
Energy: 0.39661688286522645
Energy: 0.3077654617158536
Energy: 0.5773312537770782
Energy: 0.33231932369881984
Energy: 0.3264882195960724
Energy: 0.6350098387401384
Energy: 0.36249025791401646
Energy: 0.3230310864870847
Energy: 0.36824499005813804
Energy: 0.6003550280210459
Energy: 0.3209231179607424
Energy: 0.6952502400233522
Energy: 0.38573196264957876
Energy: 0.37926535527907224
Energy: 0.39690665983696116
Energy: 0.4256656080065635
Energy: 0.3240154653297131
Energy: 0.696093647549018
Energy: 0.35339150333562974
Energy: 0.30439358394258054
Energy: 0.41597636295254764
Energy: 0.3501658660549634
Energy: 0.31722046909236
Energy: 0.7088830916203921
Energy: 0.34295397472964334
Energy: 0.3210020600636831
Energy: 0.3546062406259421
Energy: 0.22825091507199663
Energy: 0.3400451445858171
Energy: 0.7083496443539998
Energy: 0.3951011381048181
Energy: 0.2246764506504907
Energy: 0.38072588393938644
Energy: 0.529686049790153
Energy: 0.3186668698103383

minimum gb energy = 0.20097985162637086 eV
minimum distance =  2.33673278666421 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 0.934892992069715
Energy: 0.9728518395093428
Energy: 0.8258181447301397
Energy: 0.7512671485709803
Energy: 1.0413605101583019
Energy: 0.6658782147368008
Energy: 0.7741058249298883
Energy: 0.31345200831322656
Energy: 0.24644252740601877
Energy: 0.1885342404043465
Energy: 0.2976510505265846
Energy: 0.16660016507184755
Energy: 0.5905817827231248
Energy: 0.3337234930936098
Energy: 0.3099541018658688
Energy: 0.4226136731069273
Energy: 0.29865534612654837
Energy: 0.35084761931196246
Energy: 0.7440231553165578
Energy: 0.23704577041727984
Energy: 0.16927649465489866
Energy: 0.28603599372223365
Energy: 0.24492362915539517
Energy: 0.1918850780532566
Energy: 0.5998124053655514
Energy: 0.3399088323002707
Energy: 0.329683870113728
Energy: 0.30985000051388184
Energy: 0.7470465448163638
Energy: 0.3288713300680948
Energy: 0.5058251602637519
Energy: 0.18285514309729217
Energy: 0.1913099576937683
Energy: 0.4543338017222415
Energy: 0.2397219499048703
Energy: 0.4283784152646321
Energy: 1.2052298319232386
Energy: 0.7672383878517328
Energy: 0.7183799456898566
Energy: 1.2126193301663188
Energy: 0.5476742072688181
Energy: 0.6768127608734114
Energy: 0.5200737029552229
Energy: 0.29926567764833867
Energy: 0.35192596993817926
Energy: 0.28931416742412713
Energy: 0.6314626127130242
Energy: 0.21273204679729665
Energy: 0.3729341676586997
Energy: 0.3206249961743149
Energy: 0.328213438049901
Energy: 0.2682227049237518
Energy: 0.4332237408734089
Energy: 0.2122900645198644
Energy: 0.38322021041786025
Energy: 0.22120720975259808
Energy: 0.21781073053809702
Energy: 0.24030986153402334
Energy: 0.2460440094124414
Energy: 0.14695795719547808
Energy: 0.8582732389577985
Energy: 0.5359918966426965
Energy: 0.5340533203700676
Energy: 0.459823799757402
Energy: 0.6337519237375373
Energy: 0.555598940660096
Energy: 0.4625947870752449
Energy: 0.24876734161384573
Energy: 0.17142926331571903
Energy: 0.3569981342482143
Energy: 0.22281375034341092
Energy: 0.3181252461523357
Energy: 0.6786752759506872
Energy: 0.34815485798952245
Energy: 0.24448469282664506
Energy: 0.31252506790235696
Energy: 0.3801565125299844
Energy: 0.2049758655579069
Energy: 0.6024209665109362
Energy: 0.26412807582361364
Energy: 0.29162896251989695
Energy: 0.21663371113718735
Energy: 0.2962110519856367
Energy: 0.06696037566298832
Energy: 0.5787641707234684
Energy: 0.3163841708440513
Energy: 0.31597124296688694
Energy: 0.33158691637782345
Energy: 0.3031621579980078
Energy: 0.30666197180114874
Energy: 0.6874484736255099
Energy: 0.2999476177992532
Energy: 0.2268366276545663
Energy: 0.5281549056921095
Energy: 0.3162798076997421
Energy: 0.33539464468417207
Energy: 0.8644521552481667
Energy: 0.4271629046826587
Energy: 0.3546711722178885
Energy: 0.30515961969281713
Energy: 0.6054496610193166
Energy: 0.38599244528901605
Energy: 0.4714529298942322
Energy: 0.3034879434241961
Energy: 0.22850481805177741
Energy: 0.1597782156141829
Energy: 0.35630509168363256
Energy: 0.16210610282108356
Energy: 0.628381301873728
Energy: 0.2683820014589418
Energy: 0.23656778607851878
Energy: 0.2488636175804544
Energy: 0.2830166169902477
Energy: 0.333100919560413
Energy: 0.5757169229815569
Energy: 0.24975539568256688
Energy: 0.22657003863213274
Energy: 0.3716608926162185
Energy: 0.15458279740236755
Energy: 0.1792989523855522
Energy: 0.6453137528948902
Energy: 0.31249878614639187
Energy: 0.39868721404498364
Energy: 0.28112181172252276
Energy: 0.3342728429201636
Energy: 0.2463516976008561
Energy: 0.35579479040071704
Energy: 0.24454876912987702
Energy: 0.29519000110194804
Energy: 0.39135766208750206
Energy: 0.5144146348565777
Energy: 0.43985622036140787
Energy: 0.7091235232121917
Energy: 0.435015418512971
Energy: 0.5595355200237562
Energy: 0.6805690903852926
Energy: 0.44357882231627493
Energy: 0.5265066549185886
Energy: 0.8570336160150258
Energy: 0.4789051968124434
Energy: 0.4861562355978224
Energy: 0.45643689981279617
Energy: 0.5024375519587493
Energy: 0.45142418487680647
Energy: 0.4774175900939499
Energy: 0.2705012491128487
Energy: 0.29066149225149557
Energy: 0.19694281399681018
Energy: 0.38621356560344866
Energy: 0.2964402957675097
Energy: 0.3519556003781478
Energy: 0.2390874943890839
Energy: 0.19759151656396823
Energy: 0.29090800385392945
Energy: 0.2941392913431132
Energy: 0.25858208725894083
Energy: 0.9632209494563674
Energy: 0.3848833685292246
Energy: 0.3419035240765961
Energy: 0.54645369543173
Energy: 0.17720722184313453
Energy: 0.34862337095577
Energy: 0.51133170589054
Energy: 0.33993761218640994
Energy: 0.36564409541124276
Energy: 0.5066733129456807
Energy: 0.34413047548975906
Energy: 0.3191228643491373
Energy: 0.6195304792759303
Energy: 0.39712734264475
Energy: 0.28521681279310607
Energy: 0.31199901429139765
Energy: 0.2995943103916621
Energy: 0.33019994851460366
Energy: 0.6253976921489476
Energy: 0.3574404813315564
Energy: 0.10396922495776928
Energy: 0.27391567954389157
Energy: 0.32240402599915513
Energy: 0.2885632171185973
Energy: 0.5793996339122597
Energy: 0.2533523501965315
Energy: 0.30653744377439973
Energy: 0.4146033511014076
Energy: 0.27272017582551444
Energy: 0.22790247237986733
Energy: 0.6381149280235462
Energy: 0.23407487901455704
Energy: 0.28602038260736423
Energy: 0.5214693866200478
Energy: 0.23595686091620785
Energy: 0.32924631569584656
Energy: 0.5697011193344274
Energy: 0.48241106412340107
Energy: 0.32649498238908764
Energy: 0.37229699841810404
Energy: 0.304127776106425
Energy: 0.3129582862573271

minimum gb energy = 0.06696037566298832 eV
minimum distance =  2.30346160342333 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.015450903096989953
Energy: 1.0506443543392083
Energy: -0.38579081795780706
Energy: 0.017223130610720654
Energy: 0.9562493491048272
Energy: -0.38448819966007647
Energy: 0.2287161393637285
Energy: -0.497523232315663
Energy: -0.480180210892365
Energy: -0.2582033700650411
Energy: -0.24975324703024124
Energy: 0.2209532914951506
Energy: 0.7136139703114489
Energy: 0.25781360543679444
Energy: 1.2978459916702738
Energy: 1.0268117376909727
Energy: 0.459743879117748
Energy: 0.15955668081445773
Energy: 0.2296040290949636
Energy: -0.4975232323161065
Energy: -0.480180210892365
Energy: -0.2582033700659036
Energy: -0.24975324703066018
Energy: 0.2209532914951506

minimum gb energy = -0.4975232323161065 eV
minimum distance =  2.2767959386506 Angstroms
sigma value = 1