Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_001
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.049999177455902
cohesive_energy=3.3532637442064797
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.7528613464276998e-19, 2.40180697026306e-19, 2.8819152204075e-19, 3.2641945652798996e-19, 3.58004766690666e-19, 3.8467459894022996e-19, 4.0749760509156e-19, 4.2722841033926997e-19, 4.443749046763379e-19, 4.5932801920146e-19, 4.723825544152919e-19, 4.837772346363e-19, 4.936995145306619e-19, 5.023080095851439e-19, 5.097324961071e-19, 5.16080319931008e-19, 5.21447611654908e-19, 5.259160822871339e-19, 5.29553023246314e-19, 5.324209194211739e-19, 5.345758469939039e-19, 5.3606426908689e-19, 5.369294444692499e-19, 5.372098253802e-19, 5.369086161730079e-19, 5.359296862496339e-19, 5.34143259302724e-19, 5.31395526375414e-19, 5.27499032801526e-19, 5.22224667322398e-19, 5.152952533803479e-19, 5.0636792517569995e-19, 4.950181059004439e-19, 4.8071707726536e-19, 4.62801538143972e-19, 4.404319479800639e-19, 4.12534848428856e-19, 3.77717947995402e-19, 3.34175593613184e-19, 2.79514133391006e-19, 2.1052280535433197e-19, 1.228416062290578e-19, 1.0431643889843281e-20, -1.352211444269856e-19, -3.2640343476164993e-19, -5.813433829403639e-19, -9.2802076082865e-19, -1.4106732674678817e-18, -2.10147896021976e-18, -3.1220654760777596e-18, -4.68357886710684e-18, -7.160127377346e-18, -1.1206648771241758e-17, -1.7829021583151998e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010304359504088362
Energy: 0.01185342841282866
Energy: 0.6165363066941403
Energy: 0.01185342841282866
Energy: 0.01185342841282866
Energy: 0.5563329892548373
Energy: 0.01185342841282866
Energy: 0.5563329892538378
Energy: 0.6165363066946122
Energy: 0.01185342841282866
Energy: 0.010304359504088362
Energy: 0.01185342841282866
Energy: 0.01185342841282866
Energy: 0.5563329892543376
Energy: 0.01185342841282866
Energy: 0.5563329892533658

minimum gb energy = 0.010304359504088362 eV
minimum distance =  2.69212897497942 Angstroms
sigma value = 1


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

Energy: 0.6102264177123808
Energy: 0.6119415398812372
Energy: 0.6121854052652564
Energy: 0.6119415398806312
Energy: 0.5746350117790133
Energy: 0.5816087904755377
Energy: 0.5937803684524809
Energy: 0.5816087904767497
Energy: 0.6112071476492168
Energy: 0.6424236299834293
Energy: 0.6154352910604395
Energy: 0.6424236299840353
Energy: 0.5950972124006345
Energy: 0.5659929428348055
Energy: 0.5933860192619124
Energy: 0.5659929428341994
Energy: 0.6117794235274543
Energy: 0.6038888409783774
Energy: 0.5816664999975603
Energy: 0.6038888409789835
Energy: 0.5958716795715399
Energy: 0.5832977952559872
Energy: 0.5604678242616742
Energy: 0.5832977952565932
Energy: 0.6054514968636797
Energy: 0.5818767055552863
Energy: 0.5824123899063208
Energy: 0.5818767055546803
Energy: 0.5851591528155887
Energy: 0.5852077556237713
Energy: 0.5762484133683156
Energy: 0.5852077556237713
Energy: 0.5962635733085876
Energy: 0.574759838252876
Energy: 0.5966591559985867
Energy: 0.574759838252876
Energy: 0.5999485019472952
Energy: 0.5904769381908802
Energy: 0.5934610515627429
Energy: 0.5904769381914863
Energy: 0.5980860313132244
Energy: 0.5747178781493386
Energy: 0.5980018930444347
Energy: 0.5747178781493386
Energy: 0.5850033368596285
Energy: 0.5739450411772115
Energy: 0.5756057698066098
Energy: 0.5739450411772115
Energy: 0.6063788487343375
Energy: 0.5818362012417106
Energy: 0.5981503867542098
Energy: 0.5818362012417106
Energy: 0.5956486290560512
Energy: 0.5788294601122584
Energy: 0.5900429653146457
Energy: 0.5788294601122584
Energy: 0.5697258473356909
Energy: 0.5970437196802898
Energy: 0.579500657841048
Energy: 0.5970437196802898
Energy: 0.5531422351244004
Energy: 0.5664780920156848
Energy: 0.5941537400513707
Energy: 0.5664780920156848
Energy: 0.5924085263670805
Energy: 0.5923922486553024
Energy: 0.5470638080658748
Energy: 0.5923922486546963
Energy: 0.5931025611055111
Energy: 0.5596518903803207
Energy: 0.5736530027051758
Energy: 0.5596518903803207
Energy: 0.5598597679281112
Energy: 0.5928866289244931
Energy: 0.6118386018710864
Energy: 0.592886628923887
Energy: 0.5949899981754121
Energy: 0.5916410916201655
Energy: 0.5985355908058996
Energy: 0.5916410916207717
Energy: 0.562138661214522
Energy: 0.5980599549285666
Energy: 0.5822804508339368
Energy: 0.5980599549279605
Energy: 0.5613671650716692
Energy: 0.5711063416619402
Energy: 0.5961798788639049
Energy: 0.571106341661334
Energy: 0.5866093988565262
Energy: 0.5799052987003478
Energy: 0.5838116608159788
Energy: 0.5799052987003478
Energy: 0.5769249020762963
Energy: 0.5776634489102955
Energy: 0.5833080348628097
Energy: 0.5776634489102955
Energy: 0.6017525139476122
Energy: 0.5754650797218794
Energy: 0.5928254849815727
Energy: 0.5754650797218794
Energy: 0.5946357798840466
Energy: 0.5792313851730667
Energy: 0.6008987581703081
Energy: 0.5792313851730667
Energy: 0.5941351976028634
Energy: 0.5757008512277586
Energy: 0.5960324031224296
Energy: 0.5757008512277586
Energy: 0.5748626183315765
Energy: 0.5741716902298593
Energy: 0.6015987996203922
Energy: 0.5741716902292533
Energy: 0.597940546086697
Energy: 0.5789380516937042
Energy: 0.58666705197722
Energy: 0.578938051693098
Energy: 0.5861506860816592
Energy: 0.578442093302823
Energy: 0.5951055856605658
Energy: 0.5784420933022171
Energy: 0.5613366945657726
Energy: 0.5970132253090993
Energy: 0.5698217185640337
Energy: 0.5970132253090993
Energy: 0.5935662961885892
Energy: 0.5664312179278654
Energy: 0.5534212580539151
Energy: 0.5664312179278654
Energy: 0.5472132077830667
Energy: 0.5926754483593957
Energy: 0.5927142471915233
Energy: 0.5926754483593957

minimum gb energy = 0.5470638080658748 eV
minimum distance =  2.41985374704619 Angstroms
sigma value = 1


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

Energy: 0.6520934544720038
Energy: 0.6442753523239032
Energy: 0.6465538177721909
Energy: 0.6442753523239032
Energy: 0.6056979971874883
Energy: 0.6113916405032287
Energy: 0.6238420111565968
Energy: 0.6113916405032287
Energy: 0.6460386720189942
Energy: 0.6797828208692486
Energy: 0.6452224934539542
Energy: 0.6797828208678666
Energy: 0.6249123941591441
Energy: 0.5960002461889448
Energy: 0.6235975331661768
Energy: 0.5960002461882535
Energy: 0.5885873939663878
Energy: 0.6361347460564333
Energy: 0.5889433975304589
Energy: 0.6361347460578152
Energy: 0.6264798192127434
Energy: 0.6114568813512781
Energy: 0.589956471532602
Energy: 0.611456881351969
Energy: 0.6120163250683839
Energy: 0.6133275901743543
Energy: 0.6134974110859346
Energy: 0.6133275901750452
Energy: 0.6157878180590411
Energy: 0.61651326030212
Energy: 0.6051612075810564
Energy: 0.6165132603028108
Energy: 0.6154772693820242
Energy: 0.6086529200976292
Energy: 0.6235690682616396
Energy: 0.6086529200976292
Energy: 0.6123169790711159
Energy: 0.6099208732705994
Energy: 0.6150589394602174
Energy: 0.6099208732692173
Energy: 0.629221127385767
Energy: 0.6135911795414236
Energy: 0.6418885213652135
Energy: 0.6135911795393506
Energy: 0.6202616766140655
Energy: 0.6112606614581974
Energy: 0.6264791214254929
Energy: 0.6112606614581974
Energy: 0.6110698784683575
Energy: 0.6291494045920607
Energy: 0.6011879547686654
Energy: 0.6291494045913696
Energy: 0.6248125054842215
Energy: 0.5954799957092242
Energy: 0.5748610752334786
Energy: 0.5954799957092242
Energy: 0.5733942764719095
Energy: 0.6252771574246301
Energy: 0.6251297751311103
Energy: 0.6252771574253211
Energy: 0.6029797091428298
Energy: 0.6232726382767314
Energy: 0.6249544582151717
Energy: 0.6232726382760404
Energy: 0.6462949798092626
Energy: 0.625066443337653
Energy: 0.5889008833213117
Energy: 0.625066443337653
Energy: 0.6240979931860078
Energy: 0.6236816420341095
Energy: 0.6242740312260616
Energy: 0.6236816420348004
Energy: 0.6039233545840615
Energy: 0.6361615317246562
Energy: 0.5891070788182647
Energy: 0.6361615317232742
Energy: 0.625334184499835
Energy: 0.5947005031297596
Energy: 0.5901255578301378
Energy: 0.5947005031304505
Energy: 0.5880409274109749
Energy: 0.6183020825096689
Energy: 0.6147916889661404
Energy: 0.6183020825089779
Energy: 0.6152875449952003
Energy: 0.6111256500655053
Energy: 0.6054114545699901
Energy: 0.6111256500661962
Energy: 0.6152879364867425
Energy: 0.6084954205125722
Energy: 0.6234311000255831
Energy: 0.6084954205125722
Energy: 0.6117666478125368
Energy: 0.6090499347711912
Energy: 0.6166087596021288
Energy: 0.6090499347705002
Energy: 0.6292533469209994
Energy: 0.6133896261110531
Energy: 0.6155354003345699
Energy: 0.6133896261089801
Energy: 0.6163576546493907
Energy: 0.611268038067057
Energy: 0.6254789180532344
Energy: 0.611268038067057
Energy: 0.6104709912832951
Energy: 0.6291067332063449
Energy: 0.6011537720407822
Energy: 0.6291067332056539
Energy: 0.6251506310988533
Energy: 0.6293673270069267
Energy: 0.5741275873782915
Energy: 0.6293673270069267
Energy: 0.5728367929664405
Energy: 0.6604852433000271
Energy: 0.6248115939551365
Energy: 0.6604852433007181

minimum gb energy = 0.5728367929664405 eV
minimum distance =  2.3911118196636 Angstroms
sigma value = 25


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

Energy: 0.685820926801986
Energy: 0.6781455402540024
Energy: 0.6832865245792534
Energy: 0.6781455402540024
Energy: 0.7127434855565193
Energy: 0.6416228917484643
Energy: 0.6595354996773006
Energy: 0.6416228917484643
Energy: 0.6827689179696482
Energy: 0.7216494597652325
Energy: 0.674598748310155
Energy: 0.7216494597644292
Energy: 0.6606054059986832
Energy: 0.6271249234219659
Energy: 0.6595141735936221
Energy: 0.6271249234227693
Energy: 0.620452491174607
Energy: 0.6701671879092674
Energy: 0.6210909106639128
Energy: 0.6701671879084641
Energy: 0.6598946863628088
Energy: 0.6662531478363706
Energy: 0.6219162788097076
Energy: 0.6662531478355673
Energy: 0.6211642356781426
Energy: 0.6494300263578378
Energy: 0.6716008573418689
Energy: 0.6494300263578378
Energy: 0.6372907683789987
Energy: 0.6492511591401748
Energy: 0.6081076673300787
Energy: 0.6492511591409779
Energy: 0.672335020649932
Energy: 0.6496537200770353
Energy: 0.6355185716362202
Energy: 0.6496537200770353
Energy: 0.6607923958894463
Energy: 0.6484342899954162
Energy: 0.6218425451220543
Energy: 0.648434289994613
Energy: 0.6009717445407363
Energy: 0.6646188766517301
Energy: 0.6473335482669871
Energy: 0.6646188766509269
Energy: 0.6021035192114058
Energy: 0.6273699370046206
Energy: 0.6593910107967362
Energy: 0.6273699370046206
Energy: 0.6606606733171477
Energy: 0.6980879334075635
Energy: 0.6010543682663221
Energy: 0.6980879334075635
Energy: 0.6594108266644472
Energy: 0.6581987335174736
Energy: 0.7129911826904735
Energy: 0.6581987335174736
Energy: 0.6209921662643907
Energy: 0.6607809733227875
Energy: 0.6848363339716307
Energy: 0.6607809733227875
Energy: 0.6581225141729791
Energy: 0.6584767798682094
Energy: 0.6596243367674759
Energy: 0.6584767798682094
Energy: 0.6213684879626618
Energy: 0.6703600622741275
Energy: 0.6202986117020186
Energy: 0.6703600622741275
Energy: 0.6324074444267
Energy: 0.6272349972159066
Energy: 0.6608110808720544
Energy: 0.6272349972159066
Energy: 0.653417207290682
Energy: 0.6534976828990751
Energy: 0.619858250369564
Energy: 0.6534976828982717
Energy: 0.6088269585498881
Energy: 0.6529518558252941
Energy: 0.6388460222976369
Energy: 0.6529518558260975
Energy: 0.6353299506993381
Energy: 0.6508216820396443
Energy: 0.6388698703247041
Energy: 0.6508216820396443
Energy: 0.6205156904006008
Energy: 0.6481321942532875
Energy: 0.66008563846201
Energy: 0.6481321942532875
Energy: 0.6465548499696675
Energy: 0.664684955426369
Energy: 0.6011814836612092
Energy: 0.664684955426369
Energy: 0.6595502685830474
Energy: 0.664833353542935
Energy: 0.6024984679239439
Energy: 0.664833353542935
Energy: 0.6011082700423918
Energy: 0.6981348869595125
Energy: 0.6603147160510819
Energy: 0.6981348869595125

minimum gb energy = 0.6009717445407363 eV
minimum distance =  2.4016788364209 Angstroms
sigma value = 9


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

Energy: 0.9430232197826505
Energy: 0.7126134352802974
Energy: 0.7259268290503362
Energy: 0.7126134352802974
Energy: 0.755148265879847
Energy: 0.7015381690200648
Energy: 0.6983258063231572
Energy: 0.7015381690200648
Energy: 0.7250753671329595
Energy: 0.7392633385549607
Energy: 0.7444680172701875
Energy: 0.7392633385549607
Energy: 0.7326787175900563
Energy: 0.6626417433988813
Energy: 0.6982365365598503
Energy: 0.6626417433979229
Energy: 0.7100140746658653
Energy: 0.7055333769787467
Energy: 0.642051367578597
Energy: 0.705533376979705
Energy: 0.7342929124822363
Energy: 0.702769179824163
Energy: 0.6417235739109913
Energy: 0.7027691798232046
Energy: 0.6421492306813099
Energy: 0.6904955028354871
Energy: 0.641554792617431
Energy: 0.6904955028354871
Energy: 0.6365465220432865
Energy: 0.6921803810334695
Energy: 0.732784615513354
Energy: 0.6921803810344277
Energy: 0.6809816430608906
Energy: 0.7012976790819294
Energy: 0.6290964920036458
Energy: 0.7012976790819294
Energy: 0.6989559783090182
Energy: 0.6627503429948804
Energy: 0.6329316684523321
Energy: 0.6627503429948804
Energy: 0.62705530552544
Energy: 0.7362586946418253
Energy: 0.695850494282772
Energy: 0.7362586946418253
Energy: 0.7551861323498713
Energy: 0.6932184328786892
Energy: 0.6983118766674231
Energy: 0.6932184328786892
Energy: 0.6992860259681436
Energy: 0.7378507039955335
Energy: 0.745086062287236
Energy: 0.7378507039955335
Energy: 0.6932167308339603
Energy: 0.6942258729282601
Energy: 0.7316951160424092
Energy: 0.694225872927302
Energy: 0.7098599807609518
Energy: 0.7055919319307424
Energy: 0.6411109681912185
Energy: 0.7055919319307424
Energy: 0.7324661418571109
Energy: 0.6688941818115689
Energy: 0.6414774291187327
Energy: 0.6688941818115689
Energy: 0.6425837627618715
Energy: 0.6939310319050612
Energy: 0.6405073109427408
Energy: 0.6939310319050612
Energy: 0.6444373685886009
Energy: 0.6914968397999586
Energy: 0.7347115413533375
Energy: 0.6914968397999586
Energy: 0.6803712781932368
Energy: 0.701256394720201
Energy: 0.6328869135685141
Energy: 0.701256394720201
Energy: 0.6988444264492063
Energy: 0.7016774696079459
Energy: 0.6486244580110744
Energy: 0.7016774696079459
Energy: 0.627247612903934
Energy: 0.7365886591869096
Energy: 0.6943421128435587
Energy: 0.7365886591869096

minimum gb energy = 0.62705530552544 eV
minimum distance =  2.41889859300523 Angstroms
sigma value = 25


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

Energy: 0.768831473700559
Energy: 0.7412603659900714
Energy: 0.7599703579939056
Energy: 0.7412603659888863
Energy: 0.6605344701253573
Energy: 0.6808561999856
Energy: 0.662499486207886
Energy: 0.6808561999844149
Energy: 0.7189405173058138
Energy: 0.7675908045929405
Energy: 0.8398406196563196
Energy: 0.7675908045917554
Energy: 0.6500524710432406
Energy: 0.6954529168052204
Energy: 0.7236330703202538
Energy: 0.6954529168052204
Energy: 0.7076194393788928
Energy: 0.740723595692442
Energy: 0.6675565109046806
Energy: 0.740723595692442
Energy: 0.7864575944742678
Energy: 0.7334298229111821
Energy: 0.6736491032305038
Energy: 0.7334298229111821
Energy: 0.6698628184659187
Energy: 0.7392152412595642
Energy: 0.7091378951514197
Energy: 0.7392152412595642
Energy: 0.6731459383915575
Energy: 0.741479704032084
Energy: 0.7326976249664607
Energy: 0.741479704033269
Energy: 0.7188329575381597
Energy: 0.7667536295250611
Energy: 0.6461445109240739
Energy: 0.766753629526246
Energy: 0.7235506938106219
Energy: 0.6492121106218144
Energy: 0.6464597423794278
Energy: 0.6492121106218144
Energy: 0.6584758242625013
Energy: 0.7669014247001138
Energy: 0.7244348403135232
Energy: 0.7669014247001138
Energy: 0.6762354955009392
Energy: 0.6816838465603463
Energy: 0.6625261375387353
Energy: 0.6816838465603463
Energy: 0.7239558087811003
Energy: 0.7413459583920765
Energy: 0.7082551337441865
Energy: 0.7413459583920765
Energy: 0.6672143244291845
Energy: 0.6941357621572306
Energy: 0.7178553892256111
Energy: 0.6941357621572306
Energy: 0.7083976252988651
Energy: 0.6979300126051947
Energy: 0.6699707038710133
Energy: 0.6979300126051947
Energy: 0.7264377870285944
Energy: 0.7397370451150008
Energy: 0.669605762339117
Energy: 0.7397370451150008
Energy: 0.6500877752592611
Energy: 0.7177947978073018
Energy: 0.7170158769081209
Energy: 0.7177947978073018

minimum gb energy = 0.6461445109240739 eV
minimum distance =  2.50020114027814 Angstroms
sigma value = 17


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

Energy: 1.144840979300633
Energy: 0.8080035932024869
Energy: 0.824785805471811
Energy: 0.8080035932024869
Energy: 0.7284461675551978
Energy: 0.6828218930983534
Energy: 0.7232160882406502
Energy: 0.6828218930983534
Energy: 0.7026829738445902
Energy: 0.780590951975788
Energy: 0.8973979671184694
Energy: 0.7805909519764591
Energy: 0.6881432984847415
Energy: 0.7146684661660578
Energy: 0.7263900936063206
Energy: 0.7146684661660578
Energy: 0.7061669728755732
Energy: 0.7453674519459379
Energy: 0.6925785771334395
Energy: 0.7453674519452667
Energy: 0.7240722414998405
Energy: 0.7252818530478577
Energy: 0.7078452288448492
Energy: 0.725281853048529
Energy: 0.7137721029029752
Energy: 0.7106385521624673
Energy: 0.7259038220190394
Energy: 0.7106385521624673
Energy: 0.7142652443385266
Energy: 0.7341121507320784
Energy: 0.6973353794908819
Energy: 0.7341121507314071
Energy: 0.792334245782693
Energy: 0.6872322208949088
Energy: 0.7151642788600594
Energy: 0.68723222089558
Energy: 0.7195497440979495
Energy: 0.7489589666985039
Energy: 0.7314361193563447
Energy: 0.748958966699175
Energy: 0.8044976097132116
Energy: 0.7511096042901786
Energy: 0.7046928267149729
Energy: 0.7511096042908496
Energy: 0.7212675526997085
Energy: 0.6821343493836252
Energy: 0.6742639267636609
Energy: 0.6821343493836252
Energy: 0.719406857810495
Energy: 0.6822561792436862
Energy: 0.6843378503063959
Energy: 0.6822561792443573
Energy: 0.7139792317931535
Energy: 0.7490892565980557
Energy: 0.7033789849917028
Energy: 0.7490892565980557
Energy: 0.7189177927715202
Energy: 0.7202800478064837
Energy: 0.7142062338223102
Energy: 0.7202800478071548
Energy: 0.7721739954461462
Energy: 0.687879675847984
Energy: 0.7216379154109607
Energy: 0.687879675847984
Energy: 0.7162508637398054
Energy: 0.7107291703118551
Energy: 0.6970128382042167
Energy: 0.7107291703125264
Energy: 0.7196219621762523
Energy: 0.7104323856859757
Energy: 0.6891897646128836
Energy: 0.7104323856859757
Energy: 0.7329117370381185
Energy: 0.7297619480558196
Energy: 0.7092487033218221
Energy: 0.7297619480558196
Energy: 0.7130843725178386
Energy: 0.7272001890271217
Energy: 0.7070113466630266
Energy: 0.7272001890271217
Energy: 0.6906350552620054
Energy: 0.7121919577113086
Energy: 0.7195257134037494
Energy: 0.7121919577119797
Energy: 0.7037104672927097
Energy: 0.7359641994729405
Energy: 0.8935528302034986
Energy: 0.7359641994729405
Energy: 0.7224270314164313
Energy: 0.7485278528879478
Energy: 0.7279367047961225
Energy: 0.7485278528879478
Energy: 0.7978931192845479
Energy: 0.7311421931484777
Energy: 0.8488678802205001
Energy: 0.7311421931464641
Energy: 0.6965321853901022
Energy: 0.7111712748946665
Energy: 0.7162897048720319
Energy: 0.7111712748939953
Energy: 0.6741628455706079
Energy: 0.752125232500796
Energy: 0.7053527269650399
Energy: 0.752125232500796
Energy: 0.6766652158827658
Energy: 0.7150388656498865
Energy: 0.7158315349775973
Energy: 0.7150388656498865
Energy: 0.6762531416150681
Energy: 0.7507267215300654
Energy: 0.714212882034359
Energy: 0.7507267215293943
Energy: 0.7134150560646784
Energy: 0.6816734235243714
Energy: 0.7173467409435623
Energy: 0.6816734235243714
Energy: 0.7215722550888723
Energy: 0.8075594860987063
Energy: 0.8248015504351902
Energy: 0.8075594860980353

minimum gb energy = 0.6741628455706079 eV
minimum distance =  2.48547113974486 Angstroms
sigma value = 53


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

Energy: 0.9958045186876509
Energy: 0.6963281488173605
Energy: 0.7412887445881511
Energy: 0.6963281488158154
Energy: 0.8007032685205249
Energy: 0.6249021828646628
Energy: 0.7006678187434268
Energy: 0.6249021828646628
Energy: 0.7008972340767493
Energy: 0.7543259614234943
Energy: 0.7949830554490009
Energy: 0.7543259614234943
Energy: 0.6995391613060795
Energy: 0.6626604976257798
Energy: 0.6987296489380534
Energy: 0.662660497627325
Energy: 0.7112683751576939
Energy: 0.704838356909188
Energy: 0.594097145873984
Energy: 0.704838356909188
Energy: 0.6982742943395389
Energy: 0.6609873088272099
Energy: 0.5943950889951494
Energy: 0.6609873088272099
Energy: 0.7982012384502452
Energy: 0.7526813829682605
Energy: 0.7002534643108387
Energy: 0.7526813829667153
Energy: 0.7980071690658399
Energy: 0.6733910873108814
Energy: 0.698714955006568
Energy: 0.6733910873108814
Energy: 0.7004477058742353
Energy: 0.7526584347031557
Energy: 0.796127523387236
Energy: 0.7526584347031557
Energy: 0.6983478293809997
Energy: 0.6251787855259543
Energy: 0.6995588242400086
Energy: 0.6251787855274994
Energy: 0.7962066934399832
Energy: 0.6625818437788225
Energy: 0.5943424630387097
Energy: 0.6625818437788225
Energy: 0.7016062443162966
Energy: 0.6635702003582382
Energy: 0.5969200121537879
Energy: 0.6635702003582382
Energy: 0.7979715936237476
Energy: 0.6988467783313601
Energy: 0.697842760184624
Energy: 0.6988467783313601

minimum gb energy = 0.594097145873984 eV
minimum distance =  2.52237698824579 Angstroms
sigma value = 9


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

Energy: 0.9478547317135007
Energy: 0.7944619331093347
Energy: 0.7974709121042347
Energy: 0.7944619331104784
Energy: 0.7379756746610008
Energy: 0.6863980945155231
Energy: 0.8388753254274887
Energy: 0.6863980945155231
Energy: 0.6814792731657625
Energy: 0.7465238186254418
Energy: 0.8718934212526451
Energy: 0.7465238186260138
Energy: 0.6716425354770384
Energy: 0.684573800672037
Energy: 0.8107268656561158
Energy: 0.684573800672037
Energy: 0.6789776767548673
Energy: 0.7312630581380384
Energy: 0.8281307678117473
Energy: 0.7312630581386104
Energy: 0.6991172178648715
Energy: 0.7444506138066275
Energy: 0.808213795402062
Energy: 0.7444506138066275
Energy: 0.85704491587609
Energy: 0.7701804416601402
Energy: 0.8020903853037374
Energy: 0.7701804416607121
Energy: 0.8346688359360074
Energy: 0.7297963988460704
Energy: 0.7653932107015062
Energy: 0.7297963988460704
Energy: 0.7054451033718174
Energy: 0.7382860111723504
Energy: 0.728400044214391
Energy: 0.7382860111717785
Energy: 0.6595617278195552
Energy: 0.715584232078281
Energy: 0.7602879246052822
Energy: 0.7155842320788528
Energy: 0.697771639302826
Energy: 0.7214854777496953
Energy: 0.8491535365065915
Energy: 0.7214854777496953
Energy: 0.7154577992417631
Energy: 0.7881018750184813
Energy: 0.8179782716033444
Energy: 0.7881018750179095
Energy: 0.8375278695937809
Energy: 0.7554216574754806
Energy: 0.7604462880634278
Energy: 0.7554216574754806
Energy: 0.832653568954811
Energy: 0.7305409335811442
Energy: 0.7144243234952397
Energy: 0.7305409335817161
Energy: 0.7660020229215618
Energy: 0.7159003556854769
Energy: 0.6884107609266134
Energy: 0.7159003556854769
Energy: 0.6955271557387982
Energy: 0.7377943537903343
Energy: 0.6812899213420637
Energy: 0.7377943537903343
Energy: 0.7637200656724054
Energy: 0.723342580693644
Energy: 0.7014271803827673
Energy: 0.7233425806930721
Energy: 0.7965828624008804
Energy: 0.8263154359598128
Energy: 0.9484643814715901
Energy: 0.8263154359592408
Energy: 0.8377705666428293
Energy: 0.6864609295426404
Energy: 0.724657578109337
Energy: 0.6864609295420685
Energy: 0.8714869698202397
Energy: 0.7461952492239713
Energy: 0.683040577097782
Energy: 0.7461952492239713
Energy: 0.8096967232435176
Energy: 0.6842390835722025
Energy: 0.6706292546284518
Energy: 0.6842390835722025
Energy: 0.8269472418481891
Energy: 0.7271841476493104
Energy: 0.669030152632561
Energy: 0.7271841476498823
Energy: 0.8099549897304852
Energy: 0.7608665144780095
Energy: 0.6955039697060776
Energy: 0.7608665144780095
Energy: 0.7876223235869011
Energy: 0.7259882175662571
Energy: 0.8305830520472613
Energy: 0.7259882175674008
Energy: 0.7666214215992642
Energy: 0.720572878974507
Energy: 0.829579133081781
Energy: 0.720572878974507
Energy: 0.6804639290741302
Energy: 0.7388857781532455
Energy: 0.6982409793171775
Energy: 0.7388857781532455
Energy: 0.7602175510662962
Energy: 0.7163654920772614
Energy: 0.6591291086584805
Energy: 0.7163654920772614
Energy: 0.8428176890325894
Energy: 0.7041587179669646
Energy: 0.6973580725399662
Energy: 0.7041587179669646
Energy: 0.9484669132772184
Energy: 0.7709281085028247
Energy: 0.7216595884880374
Energy: 0.7709281085028247
Energy: 0.7874521595995633
Energy: 0.7362402832604573
Energy: 0.8357318800444017
Energy: 0.7362402832610292
Energy: 0.7150759684369765
Energy: 0.7425435078534971
Energy: 0.758170274496131
Energy: 0.7425435078534971
Energy: 0.696223114348369
Energy: 0.7087359427387785
Energy: 0.7678530254375378
Energy: 0.7087359427376347
Energy: 0.6817966056524561
Energy: 0.7282648561681904
Energy: 0.6995590691057694
Energy: 0.7282648561681904
Energy: 0.7004741919717791
Energy: 0.7081673448324829
Energy: 0.7172986543684144
Energy: 0.7081673448336266
Energy: 0.9496963245146296
Energy: 0.8166704220061443
Energy: 0.7961303896764879
Energy: 0.8166704220067161

minimum gb energy = 0.6591291086584805 eV
minimum distance =  2.49134925098819 Angstroms
sigma value = 73


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

Energy: 0.8859449252793252
Energy: 0.7410637251942531
Energy: 0.7662743188357922
Energy: 0.7410637251933457
Energy: 0.744514476197761
Energy: 0.6928836923922318
Energy: 0.7880526706630153
Energy: 0.6928836923913245
Energy: 0.693382684582145
Energy: 0.7361146137954062
Energy: 0.7739449219365421
Energy: 0.7361146137954062
Energy: 0.6755255794667541
Energy: 0.688890874595694
Energy: 0.7702530836497897
Energy: 0.688890874595694
Energy: 0.6921812998641703
Energy: 0.7212298257871763
Energy: 0.717165771235346
Energy: 0.7212298257871763
Energy: 0.706122290364876
Energy: 0.7144788455293674
Energy: 0.7172911865951223
Energy: 0.7144788455311819
Energy: 0.7700802091385135
Energy: 0.7618167204897778
Energy: 0.7530192020842423
Energy: 0.7618167204897778
Energy: 0.7733481805484523
Energy: 0.6986876588864875
Energy: 0.7285807399112416
Energy: 0.6986876588864875
Energy: 0.7235773094116863
Energy: 0.7175025118232782
Energy: 0.7757267316713444
Energy: 0.7175025118232782
Energy: 0.6611573988023451
Energy: 0.7184636873081166
Energy: 0.7253970065107531
Energy: 0.7184636873081166
Energy: 0.7265317331456833
Energy: 0.6981831573848113
Energy: 0.7177736922147384
Energy: 0.698183157383904
Energy: 0.7536035062913131
Energy: 0.7633228423695172
Energy: 0.8880521081209513
Energy: 0.7633228423695172
Energy: 0.7025474860524865
Energy: 0.7145675118776301
Energy: 0.7062836303311225
Energy: 0.7145675118776301
Energy: 0.693237473380194
Energy: 0.7368945612487335
Energy: 0.6926865240562408
Energy: 0.7368945612496408
Energy: 0.7697532841504372
Energy: 0.6960836997593347
Energy: 0.6897557793805266
Energy: 0.6960836997593347
Energy: 0.7213393779455665
Energy: 0.7364031724446692
Energy: 0.6942639677562703
Energy: 0.7364031724446692
Energy: 0.7991327196538212
Energy: 0.6929259395375937
Energy: 0.706542302806937
Energy: 0.6929259395375937
Energy: 0.7665437539340385
Energy: 0.7646818825829811
Energy: 0.8676911104863351
Energy: 0.7646818825820738
Energy: 0.7256234186617502
Energy: 0.6986612827917004
Energy: 0.7877994927291152
Energy: 0.6986612827917004
Energy: 0.7762174868924152
Energy: 0.7181968981809317
Energy: 0.6926297307458461
Energy: 0.718196898181839
Energy: 0.7261954151507277
Energy: 0.7173876427348129
Energy: 0.6637173181671846
Energy: 0.7173876427357204
Energy: 0.7206166066977141
Energy: 0.7122556468369569
Energy: 0.7302963583996378
Energy: 0.7122556468369569

minimum gb energy = 0.6611573988023451 eV
minimum distance =  2.4426923274529 Angstroms
sigma value = 7


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

Energy: 1.1632175184671816
Energy: 0.733985717127926
Energy: 0.75776896156179
Energy: 0.7339857171266428
Energy: 0.752069583876126
Energy: 0.6977932726008326
Energy: 0.7469805254701084
Energy: 0.6977932726008326
Energy: 0.7092539500130877
Energy: 0.7363837779688603
Energy: 0.7585135754509453
Energy: 0.7363837779675771
Energy: 0.6795411033153758
Energy: 0.6956105301744266
Energy: 0.7545037257359433
Energy: 0.695610530173785
Energy: 0.7086446902656264
Energy: 0.7334178272422632
Energy: 0.8390405884839627
Energy: 0.7334178272429048
Energy: 0.7407261825960211
Energy: 0.7326573973149272
Energy: 0.8395685386177847
Energy: 0.7326573973149272
Energy: 0.8453019686772982
Energy: 0.7339743124935244
Energy: 0.741880267757064
Energy: 0.7339743124935244
Energy: 0.7820043664464951
Energy: 0.6857288642581137
Energy: 0.7011206695899339
Energy: 0.6857288642574721
Energy: 0.7426125949654424
Energy: 0.696099402736107
Energy: 0.6812939069042768
Energy: 0.6960994027367486
Energy: 0.8361542601329148
Energy: 0.7234119107839629
Energy: 0.723065266545197
Energy: 0.7234119107839629
Energy: 0.7454072083483536
Energy: 0.7002289476023427
Energy: 0.7433703404167562
Energy: 0.7002289476017011
Energy: 0.7607151331756423
Energy: 0.7600269052240011
Energy: 0.8461402232850119
Energy: 0.7600269052240011
Energy: 0.7823705748153303
Energy: 0.7049762634656325
Energy: 0.735835295649035
Energy: 0.7049762634643494
Energy: 0.7628124651416148
Energy: 0.7203496282924888
Energy: 0.6843951438808862
Energy: 0.7203496282931304
Energy: 0.7452968696923069
Energy: 0.7004366691080111
Energy: 0.7059571824253227
Energy: 0.7004366691073696
Energy: 0.8527469640887946
Energy: 0.7606023885497674
Energy: 0.7566592671777342
Energy: 0.7606023885497674
Energy: 0.7710325055870152
Energy: 0.7000734529197803
Energy: 0.7455317993330202
Energy: 0.7000734529191387
Energy: 0.7240290239386481
Energy: 0.7366355321943955
Energy: 0.7577051225475365
Energy: 0.7366355321943955
Energy: 0.6824892187137128
Energy: 0.6962233157276547
Energy: 0.7532674679880744
Energy: 0.6962233157276547
Energy: 0.6998751419110818
Energy: 0.6843317348383995
Energy: 0.780505114386529
Energy: 0.6843317348364747
Energy: 0.7042994952376525
Energy: 0.7342757606158792
Energy: 0.8392886092788614
Energy: 0.7342757606139835
Energy: 0.8414268721066502
Energy: 0.7328973299195957
Energy: 0.7424171534221081
Energy: 0.7328973299195957
Energy: 0.8424409739683014
Energy: 0.7201418176443427
Energy: 0.7044836781550596
Energy: 0.7201418176443427
Energy: 0.7536468861848233
Energy: 0.6929328734351106
Energy: 0.6836215312958172
Energy: 0.6929328734363936
Energy: 0.8372524469976098
Energy: 0.7216324158740244
Energy: 0.7055417123842816
Energy: 0.7216324158727413
Energy: 0.8067239479517714
Energy: 0.697392860850342
Energy: 0.7350038020166431
Energy: 0.697392860850342
Energy: 0.7584144031511452
Energy: 0.761375501478174
Energy: 0.9992086453074146
Energy: 0.7613755014788156
Energy: 0.7350999070544743
Energy: 0.7012916776148457
Energy: 0.7444792091769855
Energy: 0.7012916776148457
Energy: 0.7592306089119629
Energy: 0.7059750982920159
Energy: 0.6805280548931236
Energy: 0.7059750982894496
Energy: 0.7360576142630488
Energy: 0.7207669948137359
Energy: 0.6883682501792485
Energy: 0.7207669948150189
Energy: 0.7358601486536028
Energy: 0.7115977247587851
Energy: 0.7577014473397494
Energy: 0.7115977247587851

minimum gb energy = 0.6795411033153758 eV
minimum distance =  2.43489580223026 Angstroms
sigma value = 29


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

Energy: 0.6221131151717337
Energy: 0.633613269451203
Energy: 0.6728940939067243
Energy: 0.633613269451203
Energy: 0.6854935907993283
Energy: 0.6355502671476896
Energy: 0.6574061568084588
Energy: 0.6355502671472425
Energy: 0.6736496641785628
Energy: 0.6532490929068351
Energy: 0.6545150093111664
Energy: 0.6532468468228284
Energy: 0.6599424498023558
Energy: 0.6300270473926088
Energy: 0.691501878772421
Energy: 0.6300270473923854
Energy: 0.649610332854464
Energy: 0.6661517555077823
Energy: 0.6223131314252345
Energy: 0.6661517555077823
Energy: 0.6723679624617854
Energy: 0.6375825767077067
Energy: 0.6221951572934553
Energy: 0.637582576708377
Energy: 0.6271263610279799
Energy: 0.6537415947493493
Energy: 0.6744895970148844
Energy: 0.6537415924874314
Energy: 0.6574401893884704
Energy: 0.6355520373731299
Energy: 0.6859850765417402
Energy: 0.6355520373735768
Energy: 0.6852945507055904
Energy: 0.635020042523599
Energy: 0.6560112864421008
Energy: 0.635020042523599

minimum gb energy = 0.6221131151717337 eV
minimum distance =  2.51136554256419 Angstroms
sigma value = 5


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

Energy: 0.9252467071174323
Energy: 0.7572188198102691
Energy: 0.7051584561276744
Energy: 0.757218819812087
Energy: 0.747729568737388
Energy: 0.7318542818799972
Energy: 0.6927572690830678
Energy: 0.7318542818793912
Energy: 0.7162532737250928
Energy: 0.7176219923736653
Energy: 0.7364376806101847
Energy: 0.7176219923742715
Energy: 0.688974039489104
Energy: 0.719348016143539
Energy: 0.7318717953479666
Energy: 0.719348016141721
Energy: 0.7100003497769933
Energy: 0.6896661081339581
Energy: 0.6923276483599338
Energy: 0.6896661081351702
Energy: 0.7066352790781486
Energy: 0.6850276092423347
Energy: 0.6933583159191645
Energy: 0.6850276092435469
Energy: 0.6322175675185222
Energy: 0.7205612579989027
Energy: 0.7324084539391971
Energy: 0.7205612579977183
Energy: 0.6333910383888494
Energy: 0.7304076449467025
Energy: 0.785394763156541
Energy: 0.7304076449460964
Energy: 0.7507762524884879
Energy: 0.7192405058371802
Energy: 0.7245554389119482
Energy: 0.7192405058377864
Energy: 0.7983434486622253
Energy: 0.7410224190556461
Energy: 0.6342297004393959
Energy: 0.7410224190556461
Energy: 0.7574623268103399
Energy: 0.7189427010900885
Energy: 0.6291887052808685
Energy: 0.7189427010888764
Energy: 0.7916251418363578
Energy: 0.7163530822668803
Energy: 0.6267359043072417
Energy: 0.7163530822656683
Energy: 0.7835829067083357
Energy: 0.6803969532649929
Energy: 0.7640783478388431
Energy: 0.6803969532643869
Energy: 0.7534192937957995
Energy: 0.7205734780603176
Energy: 0.7818681114578956
Energy: 0.7205734780603176
Energy: 0.6721000027353403
Energy: 0.7129131425557415
Energy: 0.7820351916716861
Energy: 0.7129131425551354
Energy: 0.6742877615415459
Energy: 0.7184986392349598
Energy: 0.7698472244655715
Energy: 0.7184986392349598
Energy: 0.6516474369180737
Energy: 0.7493420465321808
Energy: 0.6367896718462858
Energy: 0.7493420465321808
Energy: 0.7087277161952
Energy: 0.7196276085678329
Energy: 0.7544620229723049
Energy: 0.7196276085684389
Energy: 0.7850175707596848
Energy: 0.7323462111412281
Energy: 0.6518402579922948
Energy: 0.7323462111412281
Energy: 0.7305527693350593
Energy: 0.7211762938178699
Energy: 0.6908558128953445
Energy: 0.7211762938178699
Energy: 0.6944022445238613
Energy: 0.6785434768862026
Energy: 0.6649477109436935
Energy: 0.6785434768874147
Energy: 0.6916433776772868
Energy: 0.6362082773454314
Energy: 0.7057629681672944
Energy: 0.6362082773442193
Energy: 0.7310876112745768
Energy: 0.6825823439769452
Energy: 0.6356178775384917
Energy: 0.6825823439775512
Energy: 0.7839421907688866
Energy: 0.7109259444453068
Energy: 0.6417322761625427
Energy: 0.7109259444447007
Energy: 0.7361729879548453
Energy: 0.7196313390735034
Energy: 0.7597446803875868
Energy: 0.7196313390735034
Energy: 0.6628470881064293
Energy: 0.7447145496654093
Energy: 0.7982125378565087
Energy: 0.7447145496654093
Energy: 0.633802070268895
Energy: 0.7194668795768558
Energy: 0.6567845166787611
Energy: 0.7194668795786741
Energy: 0.6325227674965522
Energy: 0.7185724180605494
Energy: 0.7517669059821968
Energy: 0.7185724180617615
Energy: 0.6959588948058357
Energy: 0.7406413663231891
Energy: 0.7847447165404953
Energy: 0.7406413663237952
Energy: 0.7817345112093462
Energy: 0.7182622829056737
Energy: 0.7648885859098875
Energy: 0.7182622829056737
Energy: 0.7816331390300499
Energy: 0.7186928745789575
Energy: 0.6352950557784803
Energy: 0.7186928745783514
Energy: 0.7453045781390653
Energy: 0.6734969331078958
Energy: 0.6358705627213175
Energy: 0.6734969331078958
Energy: 0.6383284460422375
Energy: 0.7663923522008257
Energy: 0.7037082767560756
Energy: 0.7663923522008257

minimum gb energy = 0.6267359043072417 eV
minimum distance =  2.43695117203883 Angstroms
sigma value = 1


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

Energy: 0.9057510087675993
Energy: 0.7511384757441362
Energy: 0.6934083527437788
Energy: 0.7511384757449742
Energy: 0.6062144840767835
Energy: 0.6652064558350856
Energy: 0.6878963885064886
Energy: 0.6652064558342476
Energy: 0.6877636840094838
Energy: 0.7083854600743728
Energy: 0.6897345505503311
Energy: 0.7083854600743728
Energy: 0.6087764342493924
Energy: 0.7040205795612393
Energy: 0.684502356438123
Energy: 0.7040205795604012
Energy: 0.6900934904406114
Energy: 0.6640089133833228
Energy: 0.6867862043105002
Energy: 0.6640089133841608
Energy: 0.5990199654395792
Energy: 0.6644502982598481
Energy: 0.6808103480520856
Energy: 0.6644502982598481
Energy: 0.598537921942887
Energy: 0.6609079087945985
Energy: 0.6855115046618122
Energy: 0.6609079087945985
Energy: 0.5989782802126448
Energy: 0.7385240257143841
Energy: 0.7171009632107601
Energy: 0.7385240257143841
Energy: 0.6830695363446727
Energy: 0.7058699896509677
Energy: 0.718143197999501
Energy: 0.7058699896509677
Energy: 0.7564776010460071
Energy: 0.6877352455557882
Energy: 0.5999090846070196
Energy: 0.6877352455566262
Energy: 0.6839739653799752
Energy: 0.707336259251849
Energy: 0.5991113670439594
Energy: 0.707336259251849
Energy: 0.7162349263435511
Energy: 0.6639832690242026
Energy: 0.60001566524669
Energy: 0.6639832690242026
Energy: 0.7173582084773907
Energy: 0.6636851034726423
Energy: 0.6903300838254556
Energy: 0.6636851034718043
Energy: 0.7025820070229225
Energy: 0.7039115146033444
Energy: 0.6893644493886038
Energy: 0.7039115146025064
Energy: 0.6056829391109014
Energy: 0.7083613541336486
Energy: 0.6885336415742546
Energy: 0.7083613541336486
Energy: 0.6059582628986132
Energy: 0.6653165780019851
Energy: 0.6702737561059857
Energy: 0.6653165780036611
Energy: 0.692020002667059
Energy: 0.7681880054593763
Energy: 1.111688547604041
Energy: 0.7681880054585384
Energy: 0.6308796714693725
Energy: 0.6646056912901217
Energy: 0.6810573516757386
Energy: 0.6646056912917976
Energy: 0.5993648474636707
Energy: 0.7060941875523032
Energy: 0.7185028257429235
Energy: 0.7060941875523032
Energy: 0.5994209267976542
Energy: 0.6889360525819729
Energy: 0.9094426654131464
Energy: 0.6889360525819729
Energy: 0.6881173880771195
Energy: 0.7079140113888658
Energy: 0.7534707408023427
Energy: 0.7079140113897039
Energy: 0.6810905507677938
Energy: 0.7066690675840465
Energy: 0.6005949604155465
Energy: 0.7066690675848846
Energy: 0.6703181896037177
Energy: 0.6603528071793063
Energy: 0.6001005542764487
Energy: 0.6603528071793063
Energy: 0.7167755587307733
Energy: 0.663188873050376
Energy: 0.6901729141985642
Energy: 0.663188873050376

minimum gb energy = 0.598537921942887 eV
minimum distance =  2.46152569494304 Angstroms
sigma value = 17


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

Energy: 0.9607651602785381
Energy: 0.7945478636140274
Energy: 0.6990839378997875
Energy: 0.7945478636140274
Energy: 0.5945171319757645
Energy: 0.6360703511685117
Energy: 0.6751834486849203
Energy: 0.6360703511685117
Energy: 0.7408262188217245
Energy: 0.6954827679443663
Energy: 0.6810464985893662
Energy: 0.6954827679438483
Energy: 0.765398784908763
Energy: 0.6936863576755877
Energy: 0.6754498300721264
Energy: 0.6936863576761056
Energy: 0.6165044086721968
Energy: 0.708963354992942
Energy: 0.7677950713743931
Energy: 0.7089633549924242
Energy: 0.5866652194809429
Energy: 0.708532773128555
Energy: 0.7527409899365363
Energy: 0.7085327731280372
Energy: 0.5865159779313326
Energy: 0.6768891342901547
Energy: 0.6742611179651058
Energy: 0.6768891342896369
Energy: 0.5933056546315791
Energy: 0.7535408033984711
Energy: 0.749160502689807
Energy: 0.753540803397953
Energy: 0.7169569745482002
Energy: 0.695656799194813
Energy: 0.7406981263599901
Energy: 0.695656799194813
Energy: 0.6838743283767
Energy: 0.6967803728333973
Energy: 0.6761926804766693
Energy: 0.6967803728324086
Energy: 0.7499426176010117
Energy: 0.6983704336564988
Energy: 0.5938024264874012
Energy: 0.6983704336570168
Energy: 0.7520909826664636
Energy: 0.6351834289988122
Energy: 0.6349366324322065
Energy: 0.6351834289988122
Energy: 0.7674045992652805
Energy: 0.590843473580099
Energy: 0.6974666973886681
Energy: 0.5908434735795811
Energy: 0.6819380433782262
Energy: 0.5905907716274087
Energy: 0.5922540668299905
Energy: 0.5905907716274087
Energy: 0.7628197896307796
Energy: 0.7124046600889381
Energy: 0.596404815077925
Energy: 0.7124046600889381
Energy: 0.7493399926630213
Energy: 0.710096470851346
Energy: 0.7927054920141021
Energy: 0.710096470851346
Energy: 0.5917079914069984
Energy: 0.7888398039466181
Energy: 0.867585418023897
Energy: 0.7888398039461001
Energy: 0.5910092756909807
Energy: 0.7081020166628142
Energy: 0.7522932087584189
Energy: 0.7081020166633323
Energy: 0.6317802949657253
Energy: 0.636151128441676
Energy: 0.7402073825987163
Energy: 0.6361511284411581
Energy: 0.7013786039430622
Energy: 0.7928304709716
Energy: 0.9618460869812088
Energy: 0.7928304709716
Energy: 0.683986839254662
Energy: 0.6364716724641718
Energy: 0.6822512056741902
Energy: 0.6364716724626179
Energy: 0.6821415451896137
Energy: 0.6952485395177155
Energy: 0.7634643843977812
Energy: 0.6952485395182334
Energy: 0.6729864631429159
Energy: 0.6934302755803915
Energy: 0.7629567732872438
Energy: 0.6934302755798736
Energy: 0.7662551410869037
Energy: 0.6549131580479189
Energy: 0.5856803413843509
Energy: 0.6549131580489547
Energy: 0.7515422496595712
Energy: 0.6994463497161106
Energy: 0.5856424816618315
Energy: 0.6994463497161106
Energy: 0.6767095015930122
Energy: 0.6957485815815649
Energy: 0.5887872664455894
Energy: 0.6957485815815649
Energy: 0.9609569124193572
Energy: 0.7542906506786148
Energy: 0.5969128459447194
Energy: 0.7542906506780968
Energy: 0.7402274329920868
Energy: 0.6964434968159153
Energy: 0.7091639661648867
Energy: 0.6964434968159153
Energy: 0.6743850665607729
Energy: 0.6965002422809252
Energy: 0.6811785500443154
Energy: 0.6965002422804072
Energy: 0.5947717707653668
Energy: 0.6958261230380554
Energy: 0.749714524414205
Energy: 0.6958261230380554
Energy: 0.659701712640704
Energy: 0.641928339073723
Energy: 0.7522975626896339
Energy: 0.641928339073723
Energy: 0.5902424111690993
Energy: 0.5912095827392012
Energy: 0.749782556884425
Energy: 0.591209582740755
Energy: 0.5905982219282521
Energy: 0.7035674397489788
Energy: 0.7880475271543808
Energy: 0.7035674397494968
Energy: 0.5982806382709206
Energy: 0.71108880600322
Energy: 0.7645014669064727
Energy: 0.711088806002702
Energy: 0.7940929115661082
Energy: 0.7084887399342146
Energy: 0.7497291276660052
Energy: 0.7084887399342146
Energy: 0.867042463089964
Energy: 0.6948777255575277
Energy: 0.5922161427710811
Energy: 0.6948777255564917
Energy: 0.7500441972799577
Energy: 0.7089881574632905
Energy: 0.5909162415240827
Energy: 0.7089881574632905
Energy: 0.7407238955708966
Energy: 0.6359612304912153
Energy: 0.5918897606321519
Energy: 0.6359612304917333

minimum gb energy = 0.5856424816618315 eV
minimum distance =  2.40743178313699 Angstroms
sigma value = 89


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

Energy: 1.0010433431092416
Energy: 0.7893435532728815
Energy: 0.664189933165912
Energy: 0.7893435532728815
Energy: 0.760476692694824
Energy: 0.6058423573766379
Energy: 0.6464086823312862
Energy: 0.6058423573766379
Energy: 0.5239380088650015
Energy: 0.6656297643110619
Energy: 0.6651537103379014
Energy: 0.6656297643110619
Energy: 0.5265671900865788
Energy: 0.6058891818213263
Energy: 0.6471365464125082
Energy: 0.6058891818213263
Energy: 0.6561697613129868
Energy: 0.602252403858716
Energy: 0.6628283584525231
Energy: 0.602252403858716
Energy: 0.5289524270535861
Energy: 0.6025395866868931
Energy: 0.6623658231071976
Energy: 0.6025395866868931
Energy: 0.5280531108539179
Energy: 0.6646694676768893
Energy: 0.6662445359263075
Energy: 0.6646694676768893
Energy: 0.6661726829574003
Energy: 0.7364352816465977
Energy: 0.7609429888861879
Energy: 0.7364352816465977
Energy: 0.6464555655396852
Energy: 0.6058095700898738
Energy: 0.760622053251042
Energy: 0.6058095700898738
Energy: 0.7640723438144845
Energy: 0.6653771444062597
Energy: 0.6641367725929541
Energy: 0.6653771444062597
Energy: 0.6656770397418205
Energy: 0.727506263781409
Energy: 0.5238160432076043
Energy: 0.727506263781409
Energy: 0.6622691856592422
Energy: 0.6024239639752382
Energy: 0.5299092980816121
Energy: 0.6024239639752382
Energy: 0.6610142662798978
Energy: 0.6027184853854405
Energy: 0.6650933855208552
Energy: 0.6027184853854405
Energy: 0.6634835907735342
Energy: 0.6058046604943544
Energy: 0.5269356573362797
Energy: 0.6058046604943544
Energy: 0.7605577629457277
Energy: 0.602369608227848
Energy: 0.5281077564483617
Energy: 0.602369608227848

minimum gb energy = 0.5238160432076043 eV
minimum distance =  2.4948948577885 Angstroms
sigma value = 13


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

Energy: 0.929754695245146
Energy: 0.8081861154203308
Energy: 0.6848248361238654
Energy: 0.8081861154203308
Energy: 0.8251235814396793
Energy: 0.5723022748959675
Energy: 0.6068810695196336
Energy: 0.5723022748965356
Energy: 0.825951027928299
Energy: 0.6879923192860834
Energy: 0.6010663014864313
Energy: 0.6879923192860834
Energy: 0.7204888498614497
Energy: 0.6878420969951679
Energy: 0.6161218695450942
Energy: 0.6878420969934639
Energy: 0.7770502843193379
Energy: 0.6836062490670064
Energy: 0.810650104048526
Energy: 0.6836062490664384
Energy: 0.6142161680467302
Energy: 0.6880941540247133
Energy: 0.8033041846524457
Energy: 0.6880941540230093
Energy: 0.6105314663838489
Energy: 0.572089734021871
Energy: 0.8468591128004886
Energy: 0.572089734022439
Energy: 0.6832164503579843
Energy: 0.7085706999861541
Energy: 0.8520344192539048
Energy: 0.7085706999850181
Energy: 0.5513894388089136
Energy: 0.5983401221463059
Energy: 0.8470465984911115
Energy: 0.5983401221474419
Energy: 0.5241217489313854
Energy: 0.6501659340410029
Energy: 0.8640374824469916
Energy: 0.6501659340410029
Energy: 0.5257258352708716
Energy: 0.8282067750343842
Energy: 0.9296332850614124
Energy: 0.8282067750360883
Energy: 0.7169432505179802
Energy: 0.6503616699922762
Energy: 0.8664983442806818
Energy: 0.6503616699922762
Energy: 0.7740476147249732
Energy: 0.6862341585624405
Energy: 0.7505582207217625
Energy: 0.6862341585618724
Energy: 0.7920196405273974
Energy: 0.6619478080594606
Energy: 0.720520884072862
Energy: 0.6619478080594606
Energy: 0.8527000241890615
Energy: 0.6019635931639385
Energy: 0.7882948206413167
Energy: 0.6019635931633706
Energy: 0.8540136001983677
Energy: 0.6082676582614878
Energy: 0.5656744323942011
Energy: 0.6082676582614878
Energy: 0.8735861859878598
Energy: 0.6272610436331569
Energy: 0.5633702758887118
Energy: 0.6272610436331569
Energy: 0.8680827237284988
Energy: 0.5234913775303669
Energy: 0.6453895543759343
Energy: 0.5234913775292308
Energy: 0.8591369575109072
Energy: 0.6185567007736354
Energy: 0.608961616621307
Energy: 0.6185567007736354
Energy: 0.8318316611853943
Energy: 0.6780138098752736
Energy: 0.6359935069445463
Energy: 0.6780138098747056
Energy: 0.7194560913530114
Energy: 0.7669203132993564
Energy: 0.6569786573245634
Energy: 0.7669203132993564
Energy: 0.7691894072795411
Energy: 0.6790434829756075
Energy: 0.8011735281921025
Energy: 0.6790434829756075
Energy: 0.6111475454397142
Energy: 0.6945487308578886
Energy: 0.8121007614611624
Energy: 0.6945487308584566
Energy: 0.5566608211272623
Energy: 0.6492200572650229
Energy: 0.8375801843903249
Energy: 0.6492200572650229
Energy: 0.5960353055117563
Energy: 0.5673440756138274
Energy: 0.8536765700706693
Energy: 0.5673440756143954
Energy: 0.5297651153380313
Energy: 0.5675174096074904
Energy: 0.8547507290877853
Energy: 0.5675174096091944
Energy: 0.5216058769136738
Energy: 0.6047079969739098
Energy: 0.8745589581240479
Energy: 0.6047079969727738
Energy: 0.5219919836973862
Energy: 0.6307009599510792
Energy: 0.8708912789726814
Energy: 0.6307009599505112
Energy: 0.7117879340644634
Energy: 0.6525241139340415
Energy: 0.8726616139961596
Energy: 0.6525241139346095
Energy: 0.6327965225855923
Energy: 0.6873879824065232
Energy: 0.7573748353992165
Energy: 0.6873879824070913
Energy: 0.791796047582573
Energy: 0.7175614991346587
Energy: 0.718787730208842
Energy: 0.7175614991352268
Energy: 0.8267194293570064
Energy: 0.6108010270272975
Energy: 0.7043053327671217
Energy: 0.6108010270290015
Energy: 0.8526473894943027
Energy: 0.6073695921308997
Energy: 0.5238101809793443
Energy: 0.6073695921297638
Energy: 0.8430857167534171
Energy: 0.5526254294657731
Energy: 0.5234678600479356
Energy: 0.5526254294663411
Energy: 0.8568522785031325
Energy: 0.5247187994188218
Energy: 0.5387047320853502
Energy: 0.5247187994188218

minimum gb energy = 0.5216058769136738 eV
minimum distance =  2.49161638655374 Angstroms
sigma value = 37


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

Energy: 0.8498149191289134
Energy: 0.7971950346831529
Energy: 0.6581738663213219
Energy: 0.7971950346821757
Energy: 0.911062828100462
Energy: 0.5729032505758411
Energy: 0.6028862517508361
Energy: 0.5729032505758411
Energy: 0.7929762645026269
Energy: 0.6437658756030913
Energy: 0.6204362836700346
Energy: 0.6437658756040685
Energy: 0.7884592067548416
Energy: 0.6674768170645288
Energy: 0.6350727513680534
Energy: 0.6674768170645288
Energy: 0.7349843114434934
Energy: 0.6509322247850009
Energy: 0.6748227407588042
Energy: 0.6509322247859781
Energy: 0.5418352588094638
Energy: 0.651661330297593
Energy: 0.7791966845019381
Energy: 0.651661330297593
Energy: 0.5416346038888588
Energy: 0.5658841867876865
Energy: 0.7306819821945989
Energy: 0.5658841867886638
Energy: 0.7992754271384095
Energy: 0.6284254163194578
Energy: 0.8378727469901309
Energy: 0.628425416320435
Energy: 0.5518237741166315
Energy: 0.5211294538369393
Energy: 0.8655822312646143
Energy: 0.5211294538379165
Energy: 0.538462513220716
Energy: 0.6374070887886641
Energy: 0.7912471128483349
Energy: 0.6374070887886641
Energy: 0.5398143791367348
Energy: 0.7973664445079404
Energy: 0.74001474155877
Energy: 0.7973664445079404
Energy: 0.6472620549929662
Energy: 0.6373403320478674
Energy: 0.8884642079248908
Energy: 0.6373403320488447
Energy: 0.6837820403109316
Energy: 0.602933763884949
Energy: 0.7933490452192151
Energy: 0.602933763884949
Energy: 0.6745362568375425
Energy: 0.7195614341332393
Energy: 0.788514236755245
Energy: 0.7195614341332393
Energy: 0.6748227407588042
Energy: 0.6532095029082278
Energy: 0.7190705979312477
Energy: 0.6532095029082278
Energy: 0.7791966845029153
Energy: 0.6437346369543628
Energy: 0.5418533121790914
Energy: 0.6437346369553401
Energy: 0.7914101967464746
Energy: 0.5656625157746209
Energy: 0.5415573530528315
Energy: 0.5656625157746209
Energy: 0.8378727469901309
Energy: 0.5652966623274627
Energy: 0.6571827020287218
Energy: 0.5652966623284399
Energy: 0.8655822312646143
Energy: 0.5652417172150545
Energy: 0.48812424015329364
Energy: 0.5652417172140772
Energy: 0.9122605795910645
Energy: 0.5728697596982214
Energy: 0.4880336405361111
Energy: 0.5728697596982214

minimum gb energy = 0.4880336405361111 eV
minimum distance =  2.41093890678732 Angstroms
sigma value = 25


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

Energy: 0.9222839923230894
Energy: 0.7909518902754441
Energy: 0.6227279943828015
Energy: 0.790951890274681
Energy: 0.8055748627946492
Energy: 0.5004845086240185
Energy: 0.53076916619557
Energy: 0.5004845086232554
Energy: 0.8195522342758897
Energy: 0.5693043909442431
Energy: 0.5349724765474558
Energy: 0.5693043909442431
Energy: 0.6323175629198147
Energy: 0.6414197218356501
Energy: 0.5312353167777837
Energy: 0.6414197218356501
Energy: 0.7220983986416019
Energy: 0.6102549321151608
Energy: 0.7318936592119132
Energy: 0.6102549321151608
Energy: 0.6218702340308695
Energy: 0.5781798954942802
Energy: 0.7137129292770213
Energy: 0.5781798954950432
Energy: 0.6351556479152668
Energy: 0.6104685351721666
Energy: 0.7004376221538922
Energy: 0.6104685351721666
Energy: 0.5211090247191483
Energy: 0.6391695637538376
Energy: 0.7329421089565498
Energy: 0.6391695637523114
Energy: 0.5347529825289327
Energy: 0.5689165320401075
Energy: 0.8230193831888777
Energy: 0.5689165320408706
Energy: 0.5197350562292974
Energy: 0.501241774117466
Energy: 0.8093574811601707
Energy: 0.501241774117466
Energy: 0.6145511701098578
Energy: 0.7958683060793651
Energy: 0.7764258677110037
Energy: 0.7958683060793651
Energy: 0.431774571130245
Energy: 0.5002948364108937
Energy: 0.8092416417956968
Energy: 0.5002948364116567
Energy: 0.43100908001580773
Energy: 0.5005333863052852
Energy: 0.8057803508035892
Energy: 0.5005333863052852
Energy: 0.6222551821185703
Energy: 0.5008962245612052
Energy: 0.8181265963720071
Energy: 0.5008962245619684
Energy: 0.533754536550936
Energy: 0.5692324560887897
Energy: 0.8074210644903151
Energy: 0.5692324560895528
Energy: 0.5306654287081586
Energy: 0.5691607036995641
Energy: 0.8218127669051046
Energy: 0.5691607036995641
Energy: 0.6427768123596074
Energy: 0.609923835849153
Energy: 0.8182532217953356
Energy: 0.609923835849153
Energy: 0.5313302676819807
Energy: 0.6382593029974354
Energy: 0.7214943737054106
Energy: 0.6382593029974354
Energy: 0.7130905380103157
Energy: 0.5794506026892909
Energy: 0.6365160715597209
Energy: 0.5794506026885278
Energy: 0.7004580148735348
Energy: 0.6096546722489106
Energy: 0.6216713468140027
Energy: 0.6096546722489106
Energy: 0.7766177627899854
Energy: 0.742617319769399
Energy: 0.5209060706597612
Energy: 0.742617319769399
Energy: 0.8877498297761555
Energy: 0.5689845165974786
Energy: 0.43089773376675117
Energy: 0.5689845165974786
Energy: 0.8881188289530247
Energy: 0.5004361631771865
Energy: 0.522414916386131
Energy: 0.5004361631771865
Energy: 0.7781516894095702
Energy: 0.5005451630134033
Energy: 0.614826054832627
Energy: 0.5005451630134033
Energy: 0.823490811642552
Energy: 0.5010681281637295
Energy: 0.43041538488209447
Energy: 0.5010681281637295
Energy: 0.8221766531236921
Energy: 0.5012379628792754
Energy: 0.4305792612750528
Energy: 0.5012379628800385

minimum gb energy = 0.43041538488209447 eV
minimum distance =  2.39411513115198 Angstroms
sigma value = 41


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

Energy: 1.0333448459941337
Energy: 0.777243777076321
Energy: 0.5957523069686966
Energy: 0.7772437770756954
Energy: 0.907158926224039
Energy: 0.45232010961943153
Energy: 0.47937908023228365
Energy: 0.45232010961943153
Energy: 0.8546387722401546
Energy: 0.5104320563749327
Energy: 0.47757994971572354
Energy: 0.5104320563755583
Energy: 0.7710382458159623
Energy: 0.5100101572527256
Energy: 0.4743660467998785
Energy: 0.5100101572533512
Energy: 0.7764139461010755
Energy: 0.5512255060304537
Energy: 0.6444243092377775
Energy: 0.5512255060304537
Energy: 0.7253604523806623
Energy: 0.5624641532403769
Energy: 0.6447265128667594
Energy: 0.5624641532403769
Energy: 0.7294241651842298
Energy: 0.5882804218185239
Energy: 0.6200031490546349
Energy: 0.5882804218185239
Energy: 0.6374070903712474
Energy: 0.6078411541653488
Energy: 0.673493714292014
Energy: 0.6078411541653488
Energy: 0.5593502610461604
Energy: 0.5508104481297268
Energy: 0.7897897985432644
Energy: 0.5508104481291012
Energy: 0.5615949327947218
Energy: 0.550907392487092
Energy: 0.7700297534354098
Energy: 0.550907392487092
Energy: 0.4636297052421255
Energy: 0.7376449915374572
Energy: 0.9117267048273433
Energy: 0.7376449915380828
Energy: 0.4743180290084151
Energy: 0.5095702780779908
Energy: 0.9154621485720889
Energy: 0.5095702780773653
Energy: 0.4663606366224833
Energy: 0.45214269298845167
Energy: 0.9042953244731337
Energy: 0.45214269298782606
Energy: 0.5900010390703997
Energy: 0.45272743470255244
Energy: 0.79005129576667
Energy: 0.4527274347019269
Energy: 0.39369340885917875
Energy: 0.4522793841940777
Energy: 0.8944845457401188
Energy: 0.4522793841940777
Energy: 0.3969740921489085
Energy: 0.45235609992147224
Energy: 0.8585117291127012
Energy: 0.45235609992147224
Energy: 0.4693384312741931
Energy: 0.45206338816606945
Energy: 0.8522650768492002
Energy: 0.45206338816606945
Energy: 0.47368554618338493
Energy: 0.5140897026997593
Energy: 0.8319995031861576
Energy: 0.5140897026997593
Energy: 0.47322598374054997
Energy: 0.5467583724532816
Energy: 0.7272932907819166
Energy: 0.5467583724532816
Energy: 0.6324474147952942
Energy: 0.5470929636345615
Energy: 0.7260970071659973
Energy: 0.5470929636345615
Energy: 0.6725671178859874
Energy: 0.5723049041528877
Energy: 0.769508292981328
Energy: 0.5723049041528877
Energy: 0.6317290749708573
Energy: 0.5904097891840675
Energy: 0.7710292616637485
Energy: 0.5904097891840675
Energy: 0.7901511657471203
Energy: 0.5846338292135081
Energy: 0.7242245571357416
Energy: 0.5846338292128824
Energy: 0.6645700536805444
Energy: 0.6075974531040901
Energy: 0.6398637970024226
Energy: 0.6075974531040901
Energy: 0.768919468671631
Energy: 0.5730372457993311
Energy: 0.5545981351423316
Energy: 0.5730372457987055
Energy: 0.7927719428137722
Energy: 0.5470052943164112
Energy: 0.6317091034436899
Energy: 0.5470052943170367
Energy: 0.795212922137664
Energy: 0.5468433296635414
Energy: 0.4645252639006715
Energy: 0.546843329664167
Energy: 0.8946685499634408
Energy: 0.45783736106803125
Energy: 0.4746368810093328
Energy: 0.45783736106740563
Energy: 0.7951360167591017
Energy: 0.45182402270354316
Energy: 0.46514438483928716
Energy: 0.4518240227029175
Energy: 0.7923103195648078
Energy: 0.4520365533928123
Energy: 0.39401528035762035
Energy: 0.45203655339156107
Energy: 0.9056558389970811
Energy: 0.5097431482259067
Energy: 0.39307141802791407
Energy: 0.5097431482259067
Energy: 0.8520433217508321
Energy: 0.4520405631848177
Energy: 0.5953595091002647
Energy: 0.45204056318419217

minimum gb energy = 0.39307141802791407 eV
minimum distance =  2.37222457175021 Angstroms
sigma value = 15


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

Energy: 0.9517877943040126
Energy: 0.7639578433920596
Energy: 0.5733174514121347
Energy: 0.7639578433920596
Energy: 0.8951045330725745
Energy: 0.4146639535925206
Energy: 0.43768505499348154
Energy: 0.41466395359093067
Energy: 0.8903959145659818
Energy: 0.46492778637918736
Energy: 0.4372011113416916
Energy: 0.4649277863797174
Energy: 0.7933367253582424
Energy: 0.4972517650129196
Energy: 0.43161477634584405
Energy: 0.4972517650145096
Energy: 0.8129496972065532
Energy: 0.5074904377846395
Energy: 0.5934810801607506
Energy: 0.5074904377825197
Energy: 0.7965130535799657
Energy: 0.5198255828219215
Energy: 0.5815560081487587
Energy: 0.5198255828208616
Energy: 0.7052436585528277
Energy: 0.5493162600057662
Energy: 0.710062293390919
Energy: 0.5493162600052363
Energy: 0.7007102186835391
Energy: 0.5990298393984442
Energy: 0.6469001240487064
Energy: 0.5990298393979142
Energy: 0.6813119668212665
Energy: 0.5425860925330952
Energy: 0.7090228972759363
Energy: 0.5425860925330952
Energy: 0.6798265802432636
Energy: 0.543246461393365
Energy: 0.7337659013612104
Energy: 0.543246461396015
Energy: 0.5773424113211615
Energy: 0.6684748017663751
Energy: 0.8482273576702997
Energy: 0.6684748017653152
Energy: 0.546451576391707
Energy: 0.5013606800909244
Energy: 0.8140722353278182
Energy: 0.5013606800898645
Energy: 0.5527689156407144
Energy: 0.49972647246270663
Energy: 0.8539888173896445
Energy: 0.4997264724642966
Energy: 0.43964492271725886
Energy: 0.49151008450855055
Energy: 0.7526409122955553
Energy: 0.4915100845074907
Energy: 0.4452785828357119
Energy: 0.4958251389260882
Energy: 0.9205981006942004
Energy: 0.4958251389260882
Energy: 0.4386230766303511
Energy: 0.4052046330740557
Energy: 0.8572746026255897
Energy: 0.4052046330740557
Energy: 0.39556271053915026
Energy: 0.4052331626795218
Energy: 0.86089193297781
Energy: 0.4052331626779319
Energy: 0.39617964275201634
Energy: 0.38679831539889886
Energy: 0.9436707184155598
Energy: 0.38679831539995885
Energy: 0.40252948032308183
Energy: 0.46194638535607685
Energy: 0.7689630207852672
Energy: 0.4619463853550169
Energy: 0.4558515475421263
Energy: 0.46211662208159865
Energy: 0.8873524342054847
Energy: 0.46211662208159865
Energy: 0.4639860469044933
Energy: 0.45398489917212964
Energy: 0.8639290405918015
Energy: 0.4539848991715997
Energy: 0.46488832480141895
Energy: 0.48825278076049733
Energy: 0.8019433488964084
Energy: 0.48825278075996736
Energy: 0.5792625851003582
Energy: 0.4970939713059421
Energy: 0.7951356715123529
Energy: 0.4970939713054121
Energy: 0.6037033176045634
Energy: 0.5197351821337833
Energy: 0.8161412766280771
Energy: 0.5197351821353733
Energy: 0.5833452864716924
Energy: 0.672233277596618
Energy: 0.7483104758156057
Energy: 0.6722332775939682
Energy: 0.7081564548035504
Energy: 0.5386927052118172
Energy: 0.7864063138292252
Energy: 0.5386927052102274
Energy: 0.6373678330729015
Energy: 0.541674484372192
Energy: 0.7085951873167541
Energy: 0.541674484371132
Energy: 0.7355781099156168
Energy: 0.5985916642448881
Energy: 0.7471047057206756
Energy: 0.5985916642443581
Energy: 0.7405644339561642
Energy: 0.546439579645806
Energy: 0.668483047023105
Energy: 0.5464395796463359
Energy: 0.7386542560819132
Energy: 0.5461419928294564
Energy: 0.5818880587687163
Energy: 0.5461419928283964
Energy: 0.8431784668487147
Energy: 0.514496346094511
Energy: 0.5466180180958699
Energy: 0.514496346095041
Energy: 0.7517515495073238
Energy: 0.49716673544846623
Energy: 0.4303449261873837
Energy: 0.4971667354495262
Energy: 0.8546762965975611
Energy: 0.46427306770704296
Energy: 0.4381842484309563
Energy: 0.46427306770704296
Energy: 0.8744803988570099
Energy: 0.41507989435962817
Energy: 0.43683904998664336
Energy: 0.41507989435962817
Energy: 1.0556043065652827
Energy: 0.7652757729429054
Energy: 0.571687522730861
Energy: 0.7652757729423754
Energy: 0.8923435029827432
Energy: 0.4147695141643404
Energy: 0.3686552103551434
Energy: 0.4147695141643404
Energy: 0.8894283816633682
Energy: 0.41622660622395147
Energy: 0.3684807254726927
Energy: 0.4162266062223616

minimum gb energy = 0.3684807254726927 eV
minimum distance =  2.36132015029201 Angstroms
sigma value = 85


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

Energy: 0.9678494152722448
Energy: 0.73492832259634
Energy: 0.3248288428038556
Energy: 0.73492832259634
Energy: 0.8709769372709197
Energy: 0.3700438699057051
Energy: 0.3833971093732416
Energy: 0.37004386990524546
Energy: 0.7870915119980842
Energy: 0.4136506291951578
Energy: 0.38347544018271923
Energy: 0.4136506291951578
Energy: 0.6794711190527055
Energy: 0.44326910158725424
Energy: 0.38418114553860616
Energy: 0.4432691015867946
Energy: 0.8229351455354637
Energy: 0.44657381318096684
Energy: 0.5242705291730262
Energy: 0.44657381318096684
Energy: 0.6805232779350198
Energy: 0.48761241469969124
Energy: 0.5152313641186933
Energy: 0.48761241469969124
Energy: 0.6798509823184826
Energy: 0.487345885899029
Energy: 0.6197774093385738
Energy: 0.4873458858994886
Energy: 0.7233608085903984
Energy: 0.5356844515656011
Energy: 0.5288752145734056
Energy: 0.5356844515660608
Energy: 0.6803168112990503
Energy: 0.504278756520831
Energy: 0.631170904557518
Energy: 0.5042787565212907
Energy: 0.682650922220875
Energy: 0.5032078663914525
Energy: 0.7346545292282332
Energy: 0.5032078663919122
Energy: 0.7216490904646591
Energy: 0.5972470078960608
Energy: 0.7012435144518394
Energy: 0.5972470078960608
Energy: 0.6021585939970049
Energy: 0.487324211747193
Energy: 0.7352256836536839
Energy: 0.487324211747193
Energy: 0.6296515921959506
Energy: 0.4883354272321503
Energy: 0.7339558169994468
Energy: 0.4883354272321503
Energy: 0.5089215468460422
Energy: 0.48743683435100693
Energy: 0.6423228621248244
Energy: 0.48743683435054735
Energy: 0.4429650508177301
Energy: 0.46115973566250906
Energy: 0.822216829521987
Energy: 0.46115973566250906
Energy: 0.5030505179341658
Energy: 0.44337706859520876
Energy: 0.734168420094812
Energy: 0.4433770685961281
Energy: 0.3840979163954158
Energy: 0.4429604153139066
Energy: 0.732974758750674
Energy: 0.4429604153139066
Energy: 0.3833791756754592
Energy: 0.37265337067736387
Energy: 0.9226551773871969
Energy: 0.3726533706778236
Energy: 0.37499361928300234
Energy: 0.37007382787872634
Energy: 0.8288057442417396
Energy: 0.3700738278782667
Energy: 0.3246956103534784
Energy: 0.3701994840097534
Energy: 0.8212969853226949
Energy: 0.3701994840097534
Energy: 0.3252699614171208
Energy: 0.4140074400648332
Energy: 0.9238238941826671
Energy: 0.4140074400648332
Energy: 0.3268835611912002
Energy: 0.37028865829679813
Energy: 0.7716050240001734
Energy: 0.37028865829587887
Energy: 0.37497047322175486
Energy: 0.3700702249485649
Energy: 0.8714595046501314
Energy: 0.3700702249485649
Energy: 0.3854432021905322
Energy: 0.41372986067491435
Energy: 0.8747015868839412
Energy: 0.4137298606744547
Energy: 0.38380531630241754
Energy: 0.7061341015087149
Energy: 0.7885693850030275
Energy: 0.7061341015087149
Energy: 0.5028262041974321
Energy: 0.4434741181395139
Energy: 0.8228436817663232
Energy: 0.4434741181395139
Energy: 0.5249412429445015
Energy: 0.44319659360810754
Energy: 0.7867590850895062
Energy: 0.44319659360810754
Energy: 0.5095743190338523
Energy: 0.651467647763631
Energy: 0.7895130029363202
Energy: 0.651467647763631
Energy: 0.6317454375893274
Energy: 0.48788703225142793
Energy: 0.723193010653255
Energy: 0.4878870322518875
Energy: 0.6304392874042423
Energy: 0.5060071969358164
Energy: 0.680278849150714
Energy: 0.5060071969358164
Energy: 0.6197811167462154
Energy: 0.503579259874124
Energy: 0.6015575504978196
Energy: 0.503579259874124
Energy: 0.6428874546969336
Energy: 0.5036408894717925
Energy: 0.626535643116413
Energy: 0.5036408894717925
Energy: 0.7348248417503569
Energy: 0.48887632736551245
Energy: 0.5909614697694157
Energy: 0.48887632736551245
Energy: 0.7232734258100001
Energy: 0.48818588484131603
Energy: 0.5909803485224991
Energy: 0.4881858848408564
Energy: 0.7007058547749244
Energy: 0.651479421289232
Energy: 0.5088878863938471
Energy: 0.651479421289232
Energy: 0.8399470373363809
Energy: 0.4432855537590434
Energy: 0.5135044661317241
Energy: 0.4432855537590434
Energy: 0.8403040862403138
Energy: 0.4435188023076634
Energy: 0.5030413247109626
Energy: 0.4435188023072038
Energy: 0.7330036074269369
Energy: 0.37020683500556706
Energy: 0.383810526294226
Energy: 0.37020683500510737
Energy: 0.9234731472312914
Energy: 0.41671747052052976
Energy: 0.3845808122311329
Energy: 0.41671747052052976
Energy: 0.8296844857433049
Energy: 0.37013062300761485
Energy: 0.37728692557765525
Energy: 0.37013062300761485
Energy: 0.7327812783457588
Energy: 0.3702015558518877
Energy: 0.32509629612729424
Energy: 0.37020155585142805
Energy: 0.9227656715367037
Energy: 0.36992507523517687
Energy: 0.3253138902572191
Energy: 0.36992507523517687
Energy: 0.7714464202303914
Energy: 0.37031220789058333
Energy: 0.3246008129025024
Energy: 0.37031220789058333

minimum gb energy = 0.3246008129025024 eV
minimum distance =  2.36815013924036 Angstroms
sigma value = 113


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

Energy: 0.011658051973682849
Energy: 0.012269975043667567
Energy: 0.70625118710582
Energy: 0.012269975044374276
Energy: 0.014377070705476476
Energy: 0.05943176922688287
Energy: 0.47464423882836443
Energy: 0.05943176922688287
Energy: 0.0123108736548352
Energy: 0.05813712831071452
Energy: 0.4729865964077741
Energy: 0.058137128311067876
Energy: 0.013087218469971703
Energy: 0.2918481636307191
Energy: 0.7071297357167335
Energy: 0.29184816363107235
Energy: 0.47265492964420147
Energy: 0.05886489679004296
Energy: 0.4726595017846494
Energy: 0.05886489679037669
Energy: 0.012202734620919609
Energy: 0.057912151954242444
Energy: 0.4728409569527156
Energy: 0.05791215195355536

minimum gb energy = 0.011658051973682849 eV
minimum distance =  2.82739128720506 Angstroms
sigma value = 1