Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Al__MO_279544746097_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.039798453450203
cohesive_energy=2.8885682080333717
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010969107508919121
Energy: 0.408471258797537
Energy: 0.47730959128829525
Energy: 0.4084713396012994
Energy: 0.010969107508919121
Energy: 0.4084712587985394
Energy: 0.4773095912890926
Energy: 0.4769488833472811
Energy: 0.01129653254691439
Energy: 0.20319774982997918
Energy: 0.011287991238934848
Energy: 0.4769488833456863
Energy: 0.011296532547119431
Energy: 0.20319774982836164
Energy: 0.01096910750871408
Energy: 0.408471258797537
Energy: 0.47730959128829525
Energy: 0.40847133960088927
Energy: 0.010969107508509041
Energy: 0.40847125879812934
Energy: 0.4773095912888876
Energy: 0.4769488833470988
Energy: 0.011296532547119431
Energy: 0.20319774982997918
Energy: 0.01128799123913989
Energy: 0.4769488833456863
Energy: 0.011296532547119431
Energy: 0.20319774982836164
Energy: 0.01096910750871408
Energy: 0.40847125879812934
Energy: 0.47730959128809025
Energy: 0.4084713396014816
Energy: 0.010969107508509041
Energy: 0.4084712587983344
Energy: 0.47730959128809025
Energy: 0.4769488833470988
Energy: 0.011296532547119431
Energy: 0.20319774982977415
Energy: 0.011287991238934848
Energy: 0.4769488833456863
Energy: 0.011296532547119431
Energy: 0.20319774982797437

minimum gb energy = 0.010969107508509041 eV
minimum distance =  2.83620923405794 Angstroms
sigma value = 5


========================================
theta = 24.43269767945453
========================================

Energy: 1.0271721756238685
Energy: 0.9622486848288944
Energy: 0.9693208158493435
Energy: 0.9622363433182017
Energy: 1.0271721756093952
Energy: 0.9622486848300968
Energy: 0.969320815844445
Energy: 0.9556227135717578
Energy: 0.9473121233508265
Energy: 0.9745277437148482
Energy: 0.9621394522126421
Energy: 0.9556227135676162
Energy: 0.9473121233495796
Energy: 0.9745277437133786
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Energy: 0.9602659886085605
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Energy: 0.9520038956272464
Energy: 0.9980066989783144
Energy: 0.9771023201778773
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Energy: 0.9771023201783673
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Energy: 0.9349437472800993
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Energy: 0.971725399651663
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Energy: 0.9629496418751288
Energy: 0.9698888871909227
Energy: 0.9717253996536225
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Energy: 1.018075550049235
Energy: 0.9537409121073861
Energy: 0.9449909796580176
Energy: 0.9344243160729379
Energy: 1.0180755500443364
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Energy: 1.0001928800881204
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Energy: 0.9575252404865694
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Energy: 0.9798258121281033
Energy: 0.9316637830185014
Energy: 0.9530440986160282
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Energy: 0.9817498825223686
Energy: 0.9619100354807257
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Energy: 0.9966598180608636
Energy: 0.9371877839680121
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Energy: 0.9719549724356114
Energy: 0.9759425566077803
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Energy: 0.967938467661767
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Energy: 0.9759425566229659
Energy: 0.97846003058168
Energy: 0.9641475990948887
Energy: 0.9688319645013749
Energy: 0.9407590447647229
Energy: 0.9784600305858661
Energy: 0.964147599091237
Energy: 0.9688319644994154
Energy: 0.9757209978602529
Energy: 0.9810446789192534
Energy: 0.9468995358736961
Energy: 0.9879100977304227
Energy: 0.9757209978800698
Energy: 0.9810446789251318
Energy: 0.9468995358678179
Energy: 0.9636326959898417
Energy: 0.9692829526976215
Energy: 0.956860214217877
Energy: 0.9753962913214711
Energy: 0.9636326959898417
Energy: 0.9692829527069289
Energy: 0.95686021421712
Energy: 0.9426521828969306
Energy: 0.9792410159425875
Energy: 0.9518627434391836
Energy: 0.9774150420764413
Energy: 0.9426521828986228
Energy: 0.9792410159355066
Energy: 0.9518627434457744
Energy: 0.9786041400629676
Energy: 0.9749346283433897
Energy: 0.9564770144775618
Energy: 0.974917688099979
Energy: 0.9786041400622105
Energy: 0.9749346283331027
Energy: 0.956477014488116
Energy: 0.9426736049063564
Energy: 0.9762884003202327
Energy: 0.9613618124996992
Energy: 0.9720359175199682
Energy: 0.9426736048923732
Energy: 0.9762884003119051
Energy: 0.9613618124965372

minimum gb energy = 0.9316637830185014 eV
minimum distance =  2.52423252548605 Angstroms
sigma value = 401


========================================
theta = 27.79577249602797
========================================

Energy: 0.9773353444189967
Energy: 1.009436199129801
Energy: 0.9730192328994121
Energy: 1.0095885813344099
Energy: 0.9773353444070417
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Energy: 1.013441164989865
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Energy: 0.9754791905084605
Energy: 0.9572354268015261
Energy: 0.9810158862065844
Energy: 0.9560271253631629
Energy: 0.9754791905273661
Energy: 0.9572354268190414
Energy: 0.9560118470421601
Energy: 0.9810251822384406
Energy: 0.9607826502061689
Energy: 0.9754601175634391
Energy: 0.9560118470521689
Energy: 0.9810251822364945
Energy: 0.971477197739252
Energy: 0.9560304559289435
Energy: 1.0052103977216627
Energy: 0.9675867121031743
Energy: 1.0135865668312558
Energy: 0.9560304559342259
Energy: 1.0052103977260858
Energy: 0.9675867121048424
Energy: 0.9548464936022307
Energy: 0.9824956418899429
Energy: 0.9893090746645632
Energy: 1.0135393654076372
Energy: 0.9548464935997286
Energy: 0.9824956418941132
Energy: 0.9893090746701236
Energy: 0.9547986719839523
Energy: 0.9549222935547429
Energy: 0.9662909318903008
Energy: 1.0124002003429837
Energy: 0.9547986719853423
Energy: 0.9549222935605814
Energy: 0.9662909318900228
Energy: 0.9561832656082815
Energy: 0.988311946945493
Energy: 0.9665482345560419
Energy: 1.0128542712119373
Energy: 0.9561832656055013
Energy: 0.9883119469374304
Energy: 0.9665482345554859
Energy: 0.966470012622725
Energy: 1.0055991683358505
Energy: 0.9659707296060487
Energy: 1.0140897593528995
Energy: 0.9664700126216129
Energy: 1.00559916833029
Energy: 0.9659707296074387
Energy: 0.9773353444192746
Energy: 1.0094361991300793
Energy: 0.9397664572562195
Energy: 1.009588581335522
Energy: 0.9773353444073198
Energy: 1.009436199131747
Energy: 0.9397664572620579
Energy: 0.9664451154093792
Energy: 1.0141051558523302
Energy: 0.9668508481087871
Energy: 1.005529868102677
Energy: 0.9664451153993704
Energy: 1.014105155849272
Energy: 0.9668508481018366

minimum gb energy = 0.9397664572562195 eV
minimum distance =  2.56605340744623 Angstroms
sigma value = 311


========================================
theta = 32.20422750397202
========================================

Energy: 1.0684922579859075
Energy: 1.0054089456745472
Energy: 1.0318023019813245
Energy: 0.9914475244744662
Energy: 1.0684922579846234
Energy: 1.0054089456751893
Energy: 1.0515268260419215
Energy: 1.0353288896947044
Energy: 1.0045534591735683
Energy: 1.0253255789465971
Energy: 1.0258996391971817
Energy: 1.0353288896953465
Energy: 1.0045534591722989
Energy: 1.0253255789488445
Energy: 1.034516028543961
Energy: 0.9837213138017435
Energy: 1.0451686169750012
Energy: 0.9915174611918547
Energy: 1.034516028544282
Energy: 0.9837213138027066
Energy: 1.0562318722683397
Energy: 0.9908741875536585
Energy: 1.005636832291664
Energy: 1.0061411022560736
Energy: 0.9834627295747025
Energy: 0.9908741875507692
Energy: 1.005636832291985
Energy: 1.006141102257679
Energy: 1.0370294741375807
Energy: 0.9928353721461914
Energy: 1.0170207302359222
Energy: 0.9994344937858487
Energy: 1.0370294741375807
Energy: 0.992835372143623
Energy: 1.026562232369583
Energy: 1.0079898091123718
Energy: 1.0027067394054008
Energy: 0.9915504351814669
Energy: 0.9801487808417484
Energy: 1.0079898091133348
Energy: 1.0027067394044376
Energy: 0.9915504351968764
Energy: 1.034613721130535
Energy: 1.0214577278071044
Energy: 1.0147297545477716
Energy: 1.0100390616460984
Energy: 1.034613721130214
Energy: 1.0214577278083887
Energy: 1.0147297545464875
Energy: 0.9897104640082767
Energy: 0.995835327352638
Energy: 1.0105986984352653
Energy: 1.003303394976296
Energy: 0.9897104640060295
Energy: 0.9958353273539222
Energy: 1.0105986984362285
Energy: 1.0137718484958889
Energy: 1.0011884293405582
Energy: 0.9812186309981704
Energy: 1.0017650593471994
Energy: 1.0137718484978149
Energy: 1.0011884293405582
Energy: 0.9874950709689935
Energy: 1.001483414569346
Energy: 1.0163916598999716
Energy: 1.036413668479932
Energy: 0.9901020058603921
Energy: 1.0014834145706304
Energy: 1.016391659903182
Energy: 1.0364136684828213
Energy: 1.053746522649329
Energy: 0.9999110011938827
Energy: 0.9945724911420057
Energy: 0.9771446121119832
Energy: 1.053746522649329
Energy: 0.9999110011948458
Energy: 0.9945724911394377
Energy: 1.0260350198855757
Energy: 1.0196747324717115
Energy: 1.0276875888750692
Energy: 1.0376734974411927
Energy: 1.0260350198839705
Energy: 1.0196747324720326
Energy: 1.027687588874427
Energy: 1.0248500097396949
Energy: 1.0109939849795586
Energy: 1.0705337110450774
Energy: 1.0238438736637785
Energy: 1.0248500097387463
Energy: 1.0109939849785956
Energy: 1.0705337110453985
Energy: 1.0011160763141214
Energy: 0.9885498063924695
Energy: 1.0364525514477927
Energy: 1.0008376597985782
Energy: 1.0011160763147635
Energy: 0.9885498063931115
Energy: 1.0364525514465086
Energy: 1.0309971612969662
Energy: 0.9998329330133865
Energy: 1.0038195117452444
Energy: 0.9830951424265811
Energy: 1.0309971612979294
Energy: 0.9998329330153126
Energy: 1.0038195117462076
Energy: 1.0093282523986313
Energy: 1.0246803948033893
Energy: 1.033574166953012
Energy: 1.0042330308301857
Energy: 1.0093282523973472
Energy: 1.0246803948040315
Energy: 1.033574166953654
Energy: 1.0132726189703616
Energy: 0.9876121061102273
Energy: 0.9987054801751563
Energy: 1.0199507276668849
Energy: 1.013272618972609
Energy: 0.9876121061095853
Energy: 0.9987054801777244
Energy: 0.9974577465848135
Energy: 0.9926522385878057
Energy: 1.0613986144485008
Energy: 0.9976000338644931
Energy: 0.9974577465864185
Energy: 0.9926522385884479
Energy: 1.0613986144488219
Energy: 1.037119723511412
Energy: 1.03477905895445
Energy: 1.0190026627589845
Energy: 1.0014351584369634
Energy: 1.0371197235123752
Energy: 1.0347790589563763
Energy: 1.0190026627570583
Energy: 1.0045824317929752
Energy: 0.9985967191456386
Energy: 1.020557182372417
Energy: 1.0013493248866725
Energy: 1.0045824317904068
Energy: 0.9985967191443547
Energy: 1.0205571823682582
Energy: 1.033884856482969
Energy: 1.0145116118963644
Energy: 1.0160432633437149
Energy: 0.9895280562778866
Energy: 1.0338848564823269
Energy: 1.0145116118966855
Energy: 1.016043263343073
Energy: 1.0108592150458076
Energy: 0.9986698688323299
Energy: 0.9911370870003048
Energy: 0.9820642679758372
Energy: 1.0108592150470919
Energy: 0.9986698688313668
Energy: 0.9911370869980575
Energy: 1.025487974568627
Energy: 0.9882059670440404
Energy: 1.033835475281159
Energy: 0.9927374484241367
Energy: 1.025487974565431
Energy: 0.9882059670459521
Energy: 1.033835475282122
Energy: 1.008001533846266
Energy: 0.9979659999952663
Energy: 0.991322514410091
Energy: 1.0146408797971647
Energy: 1.0080015338446608
Energy: 0.9979659999971924
Energy: 0.9913225144088069
Energy: 1.0082744072182388
Energy: 0.9980900254506614
Energy: 1.0286315693116674
Energy: 1.0127702439955544
Energy: 1.0082744072175969
Energy: 0.9980900254500193
Energy: 1.0286315693129515
Energy: 1.0065422829481845
Energy: 1.012546243077954
Energy: 0.988646624627121
Energy: 0.9842352831810175
Energy: 1.0065422829462582
Energy: 1.012546243080522
Energy: 0.9886466246296746
Energy: 1.0423952678976092
Energy: 1.0011634500723696
Energy: 1.0233385164658995
Energy: 0.9934262481432875
Energy: 1.0423952678988933
Energy: 1.0011634500701225
Energy: 1.0233385164684676
Energy: 1.031813753037233
Energy: 1.0002719430655995
Energy: 0.9970202217660459
Energy: 1.0165509284168794
Energy: 1.031813753037233
Energy: 1.0002719430601419
Energy: 0.9970202217663668
Energy: 1.0320780420532232
Energy: 0.9837196973531903
Energy: 1.0577597374803476
Energy: 0.9879922930153826
Energy: 1.0320780420541862
Energy: 0.9837196973538324
Energy: 1.0577597374790637
Energy: 0.9908235978981015
Energy: 0.9880319553295569
Energy: 1.002616066837657
Energy: 0.9834843636234917
Energy: 0.9908235978984226
Energy: 0.9880319553269886
Energy: 1.0026160668363726
Energy: 1.0370664223350898
Energy: 0.9928231020100617
Energy: 1.0114480060782873
Energy: 0.9843068421981416
Energy: 1.037066422335411
Energy: 0.9928231020097407
Energy: 1.0114480060782873
Energy: 1.0082037185936175
Energy: 1.0028403210042223
Energy: 0.9788828718533249
Energy: 0.9507031698914932
Energy: 1.0082037185974697
Energy: 1.0028403210032593
Energy: 0.97888287185493
Energy: 1.03453664630536
Energy: 1.0252133919423705
Energy: 1.0149600338029412
Energy: 1.0097118938185226
Energy: 1.034536646305039
Energy: 1.0252133919430126
Energy: 1.0149600338022993
Energy: 0.9897111860514054
Energy: 0.9956508238677537
Energy: 1.0447939999159204
Energy: 0.970077629317091
Energy: 0.9897111860523685
Energy: 0.9956508238664695
Energy: 1.0447939999175255
Energy: 1.0369817746830896
Energy: 0.9910840120862141
Energy: 1.026494412129555
Energy: 0.9860835329506382
Energy: 1.0369817746814842
Energy: 0.9910840120874982
Energy: 1.0264944121321231
Energy: 1.0014442381897009
Energy: 1.016331617477113
Energy: 1.054517137243876
Energy: 0.9900823657497012
Energy: 1.0014442381887378
Energy: 1.016331617476792
Energy: 1.054517137243555

minimum gb energy = 0.9507031698914932 eV
minimum distance =  2.54968701609219 Angstroms
sigma value = 39


========================================
theta = 38.21321070173819
========================================

Energy: 0.9969176385615692
Energy: 1.0154385769823095
Energy: 1.0527151318103207
Energy: 1.015485605648269
Energy: 0.9969176385574188
Energy: 1.0154385769770053
Energy: 1.0527151318106995
Energy: 0.9867394763912033
Energy: 0.9314897122051924
Energy: 0.9025772403815552
Energy: 0.9330814302652559
Energy: 0.9867394763881723
Energy: 0.9314897122036769
Energy: 0.9025772403796607
Energy: 0.9969023668989068
Energy: 0.927052814305671
Energy: 0.9341935739425775
Energy: 1.018400461865979
Energy: 0.9969023668981492
Energy: 0.9270528143037766
Energy: 0.9341935739486396
Energy: 0.9864551023222264
Energy: 0.9315828741433291
Energy: 0.9025014866650168
Energy: 0.9817311863791519
Energy: 0.9864551023203321
Energy: 0.9315828741380248
Energy: 0.9025014866638802
Energy: 1.0145298434168013
Energy: 1.0181821633468195
Energy: 0.9720094380649019
Energy: 1.0185064651508953
Energy: 1.0145298434258774
Energy: 1.0181821633494716
Energy: 1.0038292302379241
Energy: 0.9864582146615415
Energy: 0.9324202655068425
Energy: 1.0282872905228313
Energy: 0.9824529602328791
Energy: 0.9864582146600259
Energy: 0.9324202655098736
Energy: 1.0282872905183018
Energy: 1.074651756986389
Energy: 1.0182407975020653
Energy: 1.0197947504402274
Energy: 1.018230639979577
Energy: 1.0746517569848735
Energy: 1.018240797501686
Energy: 0.9886632229241645
Energy: 0.9865588587200191
Energy: 0.9121310863321489
Energy: 0.9576328552432966
Energy: 0.9121087547041048
Energy: 0.9865588587162304
Energy: 0.9121310863283602
Energy: 0.9576328552432966
Energy: 1.0746134546181643
Energy: 1.0182283760076958
Energy: 1.00121445061806
Energy: 1.0182329241901225
Energy: 1.0746134546105865
Energy: 1.0182283760027704
Energy: 0.9925950799499206
Energy: 0.9864063315462209
Energy: 0.9827816393414432
Energy: 1.0280363922961955
Energy: 0.9322771421994254
Energy: 0.9864063315462209
Energy: 0.9827816393384122
Energy: 1.028036392297711
Energy: 1.0144273763553442
Energy: 1.0183733287652463
Energy: 0.9324545617498446
Energy: 1.0181760458818914
Energy: 1.0144273763572387
Energy: 1.0183733287724277
Energy: 0.9309725545785058
Energy: 0.9862908682977031
Energy: 0.9817357969446542
Energy: 0.9029206802818885
Energy: 0.9316905316861666
Energy: 0.9862908682992186
Energy: 0.9817357969393671
Energy: 0.9029206802852985
Energy: 0.9969105554274481
Energy: 1.0183784708368369
Energy: 0.9548653518753191
Energy: 0.9270497982845415
Energy: 0.9969105554255538
Energy: 1.0183784708357002
Energy: 0.9320014921941768
Energy: 0.9867304045614631
Energy: 0.9329431672234175
Energy: 0.902921282630672
Energy: 0.9315386738220973
Energy: 0.9867304045599475
Energy: 0.9329431672211442
Energy: 0.902921282630672
Energy: 0.9969176385604326
Energy: 1.0154385769823095
Energy: 1.0527151318103207
Energy: 1.0154856056501635
Energy: 0.9969176385555243
Energy: 1.0154385769762477
Energy: 1.052715131811836
Energy: 0.9867394763900668
Energy: 0.9314897122059502
Energy: 0.902577240381934
Energy: 0.9330814302667715
Energy: 0.9867394763874144
Energy: 0.9314897122044348
Energy: 0.902577240378524
Energy: 0.9969023668989068
Energy: 0.927052814305671
Energy: 0.934193573941062
Energy: 1.0184004618667366
Energy: 0.9969023668970124
Energy: 0.9270528143041555
Energy: 0.9341935739475029
Energy: 0.9864551023210898
Energy: 0.9315828741558321
Energy: 0.9025014866650168
Energy: 0.9817311863787729
Energy: 0.9864551023214686
Energy: 0.93158287414636
Energy: 0.9025014866635014
Energy: 1.0145298434175594
Energy: 1.0181821633464407
Energy: 0.9720094380637652
Energy: 1.0185064651512743
Energy: 1.0145298434262562
Energy: 1.0181821633502295
Energy: 0.9483833473860419
Energy: 0.9864582146615415
Energy: 0.9324202655060847
Energy: 1.0282872905228313
Energy: 0.9824529602325003
Energy: 0.9864582146600259
Energy: 0.9324202655098736
Energy: 1.0282872905198004
Energy: 1.0746517569856313
Energy: 1.0182407975020653
Energy: 0.9886632229378042
Energy: 1.018230639979577
Energy: 1.0746517569848735
Energy: 1.018240797499792
Energy: 0.9964485081098414
Energy: 0.9865588587200191
Energy: 0.9121310863325279
Energy: 0.9576328552425387
Energy: 0.9121087547044837
Energy: 0.9865588587169882
Energy: 0.9121310863294968
Energy: 0.9576328552425387
Energy: 1.0746134546181643
Energy: 1.0182283760088324
Energy: 1.016372098394317
Energy: 1.0182329241889858
Energy: 1.0746134546102077
Energy: 1.018228376003907
Energy: 0.992595079948784
Energy: 0.9864063315458421
Energy: 0.9827816393418222
Energy: 1.0280363922958164
Energy: 0.9322771421994254
Energy: 0.9864063315462209
Energy: 0.9827816393399278
Energy: 1.028036392297711
Energy: 1.0144273763553442
Energy: 1.018373328762973
Energy: 0.932469550346276
Energy: 1.0181760458818914
Energy: 1.0144273763568599
Energy: 1.01837332877167
Energy: 0.9441764228657172
Energy: 0.986290868297324
Energy: 0.9817357969393671
Energy: 0.9029206802822675
Energy: 0.9316905316838934
Energy: 0.9862908682992186
Energy: 0.9817357969374727
Energy: 0.9029206802852985
Energy: 0.9969105554274481
Energy: 1.0183784708372157
Energy: 0.9320014921869783
Energy: 0.9270497982834048
Energy: 0.9969105554251748
Energy: 1.018378470836458
Energy: 0.9320014921956923
Energy: 0.9867304045618419
Energy: 0.9329431672237964
Energy: 0.9029212826299141
Energy: 0.9315386738228552
Energy: 0.9867304045607054
Energy: 0.9329431672219021
Energy: 0.902921282630293
Energy: 0.9969176385615692
Energy: 1.0154385769826884
Energy: 1.0527151318099415
Energy: 1.015485605648269
Energy: 0.9969176385577976
Energy: 1.0154385769766265
Energy: 1.0527151318103207
Energy: 0.9867394763912033
Energy: 0.9314897122055714
Energy: 0.9025772403815552
Energy: 0.9330814302660139
Energy: 0.9867394763881723
Energy: 0.9314897122029192
Energy: 0.9025772403796607

minimum gb energy = 0.9025014866635014 eV
minimum distance =  2.56910020415508 Angstroms
sigma value = 21


========================================
theta = 46.82644889274107
========================================

Energy: 1.0542974342189961
Energy: 0.9750757974743143
Energy: 0.9786352600438655
Energy: 0.977043134765084
Energy: 1.0542974342194558
Energy: 0.975075797476614
Energy: 0.976081783627537
Energy: 1.0387845320013238
Energy: 0.9775592329431513
Energy: 0.8759128766471814
Energy: 0.977412602645593
Energy: 1.0387845320031635
Energy: 0.9775592329413115
Energy: 0.8759128766480805
Energy: 1.054144732821331
Energy: 0.9553934617979918
Energy: 0.9408849383998248
Energy: 0.9811495040449614
Energy: 1.0541447328231708
Energy: 0.9553934617989116
Energy: 0.9408849384016644
Energy: 1.0417336719576473
Energy: 0.9777543861369825
Energy: 0.9292562918767779
Energy: 0.9715060027287453
Energy: 1.0417336719516683
Energy: 0.9777543861342228
Energy: 0.9292562918721786
Energy: 0.9888870778473142
Energy: 0.9315195649209342
Energy: 0.9400882577834545
Energy: 1.011140057811568
Energy: 0.9888870778496139
Energy: 0.9315195649209342
Energy: 0.9608661656835416
Energy: 1.0416198154989138
Energy: 0.9339859881339746
Energy: 1.0520762783501691
Energy: 0.9719471117323562
Energy: 1.0416198154989138
Energy: 0.9339859881381141
Energy: 1.052076278350629
Energy: 1.0178468977297088
Energy: 0.9316198781009266
Energy: 0.9608451273703479
Energy: 0.9915685215163343
Energy: 1.0178468977297088
Energy: 0.9316198781027664
Energy: 0.960845127368968
Energy: 1.0101882244532947
Energy: 0.9798993732607746
Energy: 1.051968133016089
Energy: 0.9719827382776174
Energy: 1.010188224450995
Energy: 0.9798993732589348
Energy: 1.0519681330137893
Energy: 1.0161608684964638
Energy: 0.9720543171350038
Energy: 0.9498645174073936
Energy: 0.9895713345415562
Energy: 1.016160868494164
Energy: 0.9720543171354639
Energy: 0.9498645174064738
Energy: 1.0215980500813457
Energy: 0.9855414941332994
Energy: 0.9164753748344112
Energy: 0.9717603749071246
Energy: 1.0215980500808857
Energy: 0.9855414941332994
Energy: 0.9164753748348713
Energy: 1.056698954652689
Energy: 0.9794543020241391
Energy: 1.0063564182734
Energy: 0.9779096989774255
Energy: 1.0566989546540688
Energy: 0.9794543020241391
Energy: 1.01211630516745
Energy: 0.928834370332283
Energy: 0.9852872357573016
Energy: 0.9302879985833841
Energy: 0.9296120204701149
Energy: 0.928834370332283
Energy: 0.9852872357573016
Energy: 0.930287998584304
Energy: 1.0389405829550622
Energy: 0.9790089442517874
Energy: 0.9729643722990697
Energy: 0.9707583374205836
Energy: 1.038940582957362
Energy: 0.9790089442504077
Energy: 0.9729643723004495
Energy: 0.9287431394269869
Energy: 0.985116335073851
Energy: 0.9801545961590881
Energy: 0.9301521907428925
Energy: 0.9287431394265269
Energy: 0.9851163350761508
Energy: 0.9801545961632275
Energy: 1.0404620170003824
Energy: 0.9428717390975164
Energy: 0.9293502454932502
Energy: 0.971581004661658
Energy: 1.0404620169985428
Energy: 0.942871739099816
Energy: 0.9293502454932502
Energy: 0.9292266047508871
Energy: 1.0111528934385454
Energy: 0.9793480033911606
Energy: 0.984578032420093
Energy: 0.929226604751807
Energy: 1.0111528934371654
Energy: 0.9793480033897808
Energy: 1.0406114574520364
Energy: 0.9428901655090152
Energy: 0.9733078096297548
Energy: 0.9715495034659704
Energy: 1.0406114574474368
Energy: 0.9428901655103951
Energy: 0.9733078096292948
Energy: 0.9291952458323336
Energy: 0.987143143555833
Energy: 0.9674832103887744
Energy: 1.059530315147064
Energy: 0.9291952458341525
Energy: 0.9871431435493939
Energy: 0.9674832103896942
Energy: 1.0543245908174377
Energy: 0.9428823574124885
Energy: 1.0524406609170782
Energy: 0.9713810363177496
Energy: 1.0543245908183576
Energy: 0.9428823574115686
Energy: 1.052440660918458
Energy: 0.9291793353671434
Energy: 1.0312517491095508
Energy: 0.9546445469798975
Energy: 1.031261587707306
Energy: 0.9291793353676033
Energy: 1.031251749109091
Energy: 0.9546445469808175
Energy: 1.0543178509865678
Energy: 0.9713111599838113
Energy: 1.052512199576458
Energy: 0.9428008203682356
Energy: 1.054317850987028
Energy: 0.9713111599856511
Energy: 1.0525121995741582
Energy: 0.9291856403736471
Energy: 1.059500218413085
Energy: 0.9674094991160881
Energy: 0.9871646475715894
Energy: 0.9291856403759468
Energy: 1.0595002184126252
Energy: 0.9674094991156281
Energy: 1.0406763774166699
Energy: 0.9715396520797164
Energy: 0.9729571923225646
Energy: 0.9428763368866626
Energy: 1.0406763774162098
Energy: 0.9715396520824761
Energy: 0.972957192320265
Energy: 0.929134555317822
Energy: 0.9836069069821921
Energy: 0.979548310467467
Energy: 1.0112332160598383
Energy: 0.9291345553201217
Energy: 0.9836069069821921
Energy: 0.9795483104706866
Energy: 1.0405472993948797
Energy: 0.9706955875526672
Energy: 0.8797734539263325
Energy: 0.9428978407093273
Energy: 1.0405472993948797
Energy: 0.970695587554047
Energy: 0.8797734539254127

minimum gb energy = 0.8759128766471814 eV
minimum distance =  2.61051154563855 Angstroms
sigma value = 113


========================================
theta = 52.659006983369785
========================================

Energy: 0.9139145534569915
Energy: 0.9696345057121704
Energy: 0.8763606278355426
Energy: 0.96960283070634
Energy: 0.9139145534639455
Energy: 0.9696345057242582
Energy: 0.8763606278273285
Energy: 1.0065565061648405
Energy: 0.9688840885491798
Energy: 0.8771483844657775
Energy: 0.9440004322659152
Energy: 1.006556506166614
Energy: 0.9688840885591673
Energy: 0.8771483844506094
Energy: 0.9138345723500584
Energy: 0.9028952957501725
Energy: 0.8937030277647495
Energy: 0.949022780664983
Energy: 0.913834572346978
Energy: 0.9028952957506859
Energy: 0.8937030277642362
Energy: 0.8903584005877242
Energy: 0.9441269688043283
Energy: 0.8809738995286119
Energy: 0.9444600883147133
Energy: 0.890358400586184
Energy: 0.9441269688138494
Energy: 0.8809738995242248
Energy: 0.9015843083129377
Energy: 0.8937636130625978
Energy: 0.8925760663386143
Energy: 0.8872292919804732
Energy: 0.9015843083049568
Energy: 0.8937636130641379
Energy: 0.8925760663383342
Energy: 0.8903786958454422
Energy: 0.8876300480547716
Energy: 0.9304035577194796
Energy: 0.9092987615330387
Energy: 0.8903786958477756
Energy: 0.8876300480480975
Energy: 0.9304035577430954
Energy: 0.8952577102082488
Energy: 0.8937956567354746
Energy: 0.8651451642162185
Energy: 0.8963461817307878
Energy: 0.8952577102100223
Energy: 0.8937956567359879
Energy: 0.8651451642138848
Energy: 0.8958302338612746
Energy: 0.9202726100259082
Energy: 0.9218908805363077
Energy: 0.9209417388450878
Energy: 0.8958302338625813
Energy: 0.9202726100251615
Energy: 0.921890880534254
Energy: 0.8934653400325809
Energy: 0.9045064347840674
Energy: 0.9693235119457051
Energy: 0.8899154483223628
Energy: 0.8934653400292673
Energy: 0.9045064347920017
Energy: 0.9693235119516322
Energy: 0.8901348702672748
Energy: 0.9203221797513544
Energy: 0.9288805308187781
Energy: 0.9296228748987998
Energy: 0.8901348702693284
Energy: 0.9203221797539214
Energy: 0.9288805308285324
Energy: 0.8932457404583167
Energy: 0.9231394650953226
Energy: 0.9365819443709361
Energy: 0.8901068658128884
Energy: 0.8932457404603702
Energy: 0.9231394651042835
Energy: 0.9365819443707027
Energy: 0.8902559260009208
Energy: 0.9067504947452327
Energy: 0.9054200763508109
Energy: 0.9177994373425362
Energy: 0.8902559260109085
Energy: 0.9067504947501333
Energy: 0.9054200763574849
Energy: 0.893256231914799
Energy: 0.9090844399254779
Energy: 0.9220004098499593
Energy: 0.9074925587783808
Energy: 0.8932562319132589
Energy: 0.9090844399216508
Energy: 0.9363080135155878
Energy: 0.9171016093773452
Energy: 0.9527553308976668
Energy: 0.9251735313312925
Energy: 0.9217559277454866
Energy: 0.9171016093747782
Energy: 0.9527553308945866
Energy: 0.9251735313323193
Energy: 0.8948237690234956
Energy: 0.934688136751675
Energy: 0.9478210925644794
Energy: 0.9421452973530428
Energy: 0.8948237690201353
Energy: 0.9346881367498548
Energy: 0.9478210936195348
Energy: 0.9171198685627346
Energy: 0.9068268034180414
Energy: 0.915059502616475
Energy: 0.9069236890283833
Energy: 0.9171198685565741
Energy: 0.9068268034170146
Energy: 0.9150595025979931
Energy: 0.9172772599427758
Energy: 0.8829554200105527
Energy: 0.902025477959997
Energy: 0.9074219895007951
Energy: 0.9172772599402087
Energy: 0.8829554200043922
Energy: 0.902025477959997
Energy: 0.8901213395185567
Energy: 0.9065591024420896
Energy: 0.9156272660784901
Energy: 0.8868902694543765
Energy: 0.8901213395098291
Energy: 0.9065591024439098
Energy: 0.9156272660756432
Energy: 0.9170882585057711
Energy: 0.9072987848830013
Energy: 0.9112866840671795
Energy: 0.9167903212714733
Energy: 0.9170882585103917
Energy: 0.907298784882768
Energy: 0.9175724650350513
Energy: 0.8897269501195726
Energy: 0.9069854734727635
Energy: 0.9237987750699761
Energy: 0.9069398645076487
Energy: 0.8897269501272735
Energy: 0.9069854734822845
Energy: 0.92379877507357
Energy: 0.916300330052209
Energy: 0.9030814279720554
Energy: 0.8966261578366724
Energy: 0.8952818020613402
Energy: 0.9163003300501554
Energy: 0.9030814279861502
Energy: 0.89662615784512
Energy: 0.8898456388556198
Energy: 0.9059326646211856
Energy: 0.8735123910272958
Energy: 0.9051627540420646
Energy: 0.8898456388509994
Energy: 0.9059326646211856
Energy: 0.873512391020622
Energy: 0.9164546016555198
Energy: 0.9044922983796931
Energy: 0.9454241089081328
Energy: 0.9108005337887987
Energy: 0.9164546016565465
Energy: 0.9044922983809534
Energy: 0.9655883897456392
Energy: 0.8908497638480981
Energy: 0.8983988174747609
Energy: 0.9347013792589416
Energy: 0.9052398237820186
Energy: 0.8908497638429643
Energy: 0.8983988174775612
Energy: 0.934701379259175
Energy: 0.916438891480653
Energy: 0.9596092799146952
Energy: 0.9566690172990294
Energy: 0.9679571733697974
Energy: 0.9164388914847602
Energy: 0.959609279918009
Energy: 0.9365839423181755
Energy: 0.9088749308130445
Energy: 0.9050819324957663
Energy: 0.9712722190509735
Energy: 0.8811418729249746
Energy: 0.9088749308143512
Energy: 0.90508193249908
Energy: 0.9712722190437861
Energy: 1.0456726151701616
Energy: 0.9598543244778523
Energy: 0.9105845698057754
Energy: 0.9683632293598347
Energy: 1.0456726151570468
Energy: 0.9598543244719718
Energy: 0.9205518271092782
Energy: 0.9088579455280306
Energy: 0.9176422143971468
Energy: 0.9492459192597361
Energy: 0.948877661351406
Energy: 0.9088579455385317
Energy: 0.9176422143904727
Energy: 0.9492459192589429
Energy: 1.0455171134599084
Energy: 0.9597289408565671
Energy: 0.8951478438799593
Energy: 0.9682551549342038
Energy: 1.0455171134565944
Energy: 0.9597289408575937
Energy: 0.8951478438794459
Energy: 0.9086868787107406
Energy: 0.9047774582994386
Energy: 0.9596703988228885
Energy: 0.8804939513772276
Energy: 0.9086868787094338
Energy: 0.9047774583017721
Energy: 0.959670398829049
Energy: 0.9165233086348786
Energy: 0.9597642105938808
Energy: 0.9334630239260447
Energy: 0.9683909883466176
Energy: 0.916523308632545
Energy: 0.9597642105931341
Energy: 0.9334630239258114
Energy: 0.9086240520352594
Energy: 0.8979812266868261
Energy: 0.9055650340700947
Energy: 0.9047102668374752
Energy: 0.9086240520332058
Energy: 0.8979812266763251
Energy: 0.9055650340714014
Energy: 0.9166835435382337
Energy: 0.9038245563464963
Energy: 0.9333373756287631
Energy: 0.9070463561372704
Energy: 0.9166835435428542
Energy: 0.9038245563511167
Energy: 0.9333373756251693
Energy: 0.9321401085901809
Energy: 0.8981704994747816
Energy: 0.9341842399335623
Energy: 0.9052274856007412
Energy: 0.9321401085889208
Energy: 0.8981704994675941
Energy: 0.9341842399422431
Energy: 0.9318013458301948
Energy: 0.9000867954581124
Energy: 0.8936301785146934
Energy: 0.9057962454216298
Energy: 0.9318013458317349
Energy: 0.9000867954598859
Energy: 0.8936301785136667
Energy: 0.9321117639240206
Energy: 0.9037116852511956
Energy: 0.9340297967016375
Energy: 0.9206996127689702
Energy: 0.9321117639255607
Energy: 0.9037116852604365
Energy: 0.9340297967124186
Energy: 0.9316613271994312
Energy: 0.9055714833915861
Energy: 0.8913010545621824
Energy: 0.9111744453547961
Energy: 0.9316613271984044
Energy: 0.9055714833800583
Energy: 0.8913010545662896
Energy: 0.9291703282445039
Energy: 0.9034820592022078
Energy: 0.9282776981532953
Energy: 0.9213393137851128
Energy: 0.9291703282424503
Energy: 0.9034820592042614
Energy: 0.9282776981612295
Energy: 0.9317511782190997
Energy: 0.9658887239487911
Energy: 0.9515207095217014
Energy: 0.9032978216484877
Energy: 0.9317511782157861
Energy: 0.965888723947251
Energy: 0.9515207095232416
Energy: 0.9281180933418014
Energy: 0.9352296193581168
Energy: 0.9292150234633187
Energy: 0.9031461265217237
Energy: 0.9281180933371809
Energy: 0.9352296193540096
Energy: 0.9292150234645788
Energy: 0.9933938744221015
Energy: 0.9034306806716543
Energy: 0.9301516368456142
Energy: 0.9034947627917426
Energy: 0.9933938744156607
Energy: 0.9034306806754813
Energy: 0.9301516368384268
Energy: 0.9281019623809638
Energy: 0.8869240877140476
Energy: 0.9479405892957952
Energy: 0.9005621754028644
Energy: 0.9281019623812438
Energy: 0.8869240877181548
Energy: 0.9479405892983621
Energy: 0.9417514680948509
Energy: 0.9036456744050414
Energy: 0.9089887433829626
Energy: 0.9035592207661448
Energy: 0.9417514680958776
Energy: 0.9036456744117154
Energy: 0.9089887433906634
Energy: 0.9250621477320665
Energy: 0.926910618610387
Energy: 0.9482704803848334
Energy: 0.9186907197754014
Energy: 0.925062147718205
Energy: 0.9269106186165477
Energy: 0.9482704803745657
Energy: 0.8915224389037837
Energy: 0.906694360251311
Energy: 0.907636878571016
Energy: 0.9091592657845277
Energy: 0.8915224389112044
Energy: 0.9066943602500042
Energy: 0.9076368785602349

minimum gb energy = 0.8651451642138848 eV
minimum distance =  2.56014387860023 Angstroms
sigma value = 365


========================================
theta = 59.99999999999999
========================================

Energy: 0.8536484863933341
Energy: 0.7319642317993158
Energy: 1.011570872292603
Energy: 0.7319642317958432
Energy: 0.8536484863933341
Energy: 0.7319642317952646
Energy: 0.9620416325079441
Energy: 0.8536484863927554
Energy: 0.7319642317958432
Energy: 0.816222425580593
Energy: 0.7319642318004733
Energy: 0.8536484863962278
Energy: 0.7319642317970009
Energy: 0.8613387325982537
Energy: 0.8536484863939129
Energy: 0.7319642317970009
Energy: 0.9314863209526311
Energy: 0.7319642317970009
Energy: 0.8536484863950704
Energy: 0.7319642318004733
Energy: 0.9236310666402483
Energy: 0.8536484863939129
Energy: 0.7319642317998946
Energy: 0.8526800907080352
Energy: 0.7319642317958432
Energy: 0.8536484863950704
Energy: 0.7319642317952646
Energy: 1.024664655538299
Energy: 0.8536484863921766
Energy: 0.7319642317952646
Energy: 0.7723802702902782
Energy: 0.7319642318004733
Energy: 0.8536484863944915
Energy: 0.7319642317970009
Energy: 0.9236310666408271
Energy: 0.8536484863927554
Energy: 0.7319642317970009
Energy: 0.9236310666414057
Energy: 0.7319642317970009
Energy: 0.8536484863927554
Energy: 0.7319642318004733
Energy: 0.9245343067478649
Energy: 0.8536484863927554
Energy: 0.7319642317998946
Energy: 0.925482391820215
Energy: 0.7319642317958432
Energy: 0.8536484863921766
Energy: 0.7319642317952646
Energy: 1.0246646555365626
Energy: 0.8536484863915977
Energy: 0.7319642317952646
Energy: 0.9434327207557428
Energy: 0.7319642317998946
Energy: 0.8536484863968065
Energy: 0.731964231796422
Energy: 0.9245343067478649
Energy: 0.8536484863950704
Energy: 0.7319642317970009
Energy: 0.9236310666408271
Energy: 0.7319642317970009
Energy: 0.8536484863933341
Energy: 0.7319642318004733
Energy: 0.9236310666419845
Energy: 0.8536484863921766
Energy: 0.7319642317998946
Energy: 0.9620416325079441
Energy: 0.7319642317958432
Energy: 0.8536484863939129
Energy: 0.7319642317958432
Energy: 0.9620416325079441
Energy: 0.8536484863933341
Energy: 0.7319642317952646
Energy: 0.9314863209543671
Energy: 0.7319642318004733
Energy: 0.8536484863950704
Energy: 0.7319642317970009
Energy: 0.9236310666419845
Energy: 0.8536484863939129
Energy: 0.7319642317970009
Energy: 0.861338732597675
Energy: 0.7319642317970009
Energy: 0.8536484863939129
Energy: 0.7319642318004733
Energy: 0.8613387325970961
Energy: 0.8536484863910191
Energy: 0.7319642317993158
Energy: 0.8613387325942025
Energy: 0.7319642317958432
Energy: 0.8536484863915977
Energy: 0.7319642317952646
Energy: 0.9236310666396697
Energy: 0.8536484863910191
Energy: 0.7319642317952646
Energy: 0.8613387325953599
Energy: 0.7319642317998946
Energy: 0.8536484863944915
Energy: 0.7319642317970009
Energy: 0.8613387325959387
Energy: 0.8536484863939129
Energy: 0.7319642317970009
Energy: 0.8613387325988325
Energy: 0.731964231796422
Energy: 0.853648486395649
Energy: 0.7319642317998946
Energy: 0.8613387325988325
Energy: 0.8536484863939129
Energy: 0.7319642317993158
Energy: 0.8613387325953599
Energy: 0.7319642317952646
Energy: 0.8536484863939129
Energy: 0.7319642317952646
Energy: 0.8613387325970961
Energy: 0.8536484863910191
Energy: 0.7319642317952646
Energy: 0.8613387325970961
Energy: 0.7319642318004733
Energy: 0.8536484863927554
Energy: 0.731964231796422
Energy: 0.9314863209543671
Energy: 0.8536484863927554
Energy: 0.7319642317970009
Energy: 0.8613387325994112
Energy: 0.7319642317970009
Energy: 0.8536484863939129
Energy: 0.7319642318004733
Energy: 0.861338732597675
Energy: 0.8536484863915977
Energy: 0.7319642317998946
Energy: 0.8613387325959387
Energy: 0.7319642317958432
Energy: 0.8536484863933341
Energy: 0.7319642317952646
Energy: 0.8613387325988325
Energy: 0.8536484863927554
Energy: 0.7319642317952646
Energy: 0.8613387325965174
Energy: 0.7319642317998946
Energy: 0.8536484863973852
Energy: 0.7319642317975795
Energy: 0.8613387325970961

minimum gb energy = 0.7319642317952646 eV
minimum distance =  2.69176144104055 Angstroms
sigma value = 23