Model name: model_name=Sim_LAMMPS_ADP_ApostolMishin_2011_AlCu__SM_667696763561_000
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.614999085664749
cohesive_energy=3.5402517934376156
mass=63.546
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: -2.67105988788208e-05 eV

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

Energy: 0.016767683529048266
Energy: 0.4191372076985429
Energy: 0.23577606586280833
Energy: 0.4191659455915463
Energy: 0.016767683529048266
Energy: 0.41913720769831536
Energy: 0.23577606586255223
Energy: 0.4358529237098844
Energy: 0.01722545212899842
Energy: 0.2265869687964324
Energy: 0.017102323109531935
Energy: 0.4358529237096283
Energy: 0.01722545212899842
Energy: 0.22658696879668846
Energy: 0.016767683529048266
Energy: 0.4191372076985429
Energy: 0.23577606586280833
Energy: 0.4191659455915463
Energy: 0.016767683529048266
Energy: 0.41913720769831536
Energy: 0.23577606586255223
Energy: 0.4358529237098844
Energy: 0.017225452128742356
Energy: 0.22658696879668846
Energy: 0.017102323109531935
Energy: 0.4358529237096283
Energy: 0.01722545212899842
Energy: 0.22658696879668846
Energy: 0.016767683529048266
Energy: 0.4191372076985429
Energy: 0.23577606586306438
Energy: 0.4191659455912903
Energy: 0.016767683529048266
Energy: 0.41913720769831536
Energy: 0.23577606586255223
Energy: 0.4358529237096283
Energy: 0.017225452128742356
Energy: 0.22658696879617632
Energy: 0.017102323109531935
Energy: 0.4358529237096283
Energy: 0.01722545212899842
Energy: 0.2265869687964324

minimum gb energy = 0.016767683529048266 eV
minimum distance =  2.5334368929888 Angstroms
sigma value = 5


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

Energy: 1.0065907750044938
Energy: 0.9562751588942365
Energy: 0.9892879826326116
Energy: 0.9554233677327346
Energy: 1.0065907750044938
Energy: 0.9562751588912334
Energy: 0.9923263922680874
Energy: 0.9465570470744863
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Energy: 0.94468126790197
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Energy: 0.9465570470744863
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Energy: 0.9369953560310693
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Energy: 1.0225696208370365
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Energy: 0.9522619534169755
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Energy: 0.9799972850196549
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Energy: 0.9775661257608526
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Energy: 0.9488526312351417
Energy: 0.951646399789364
Energy: 0.9446186199874703
Energy: 0.9886220537888496
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Energy: 0.997014762750623
Energy: 0.9338259305772995
Energy: 0.9723975549086636
Energy: 0.9433230869349839
Energy: 0.997014762750623
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Energy: 0.9723975549086636
Energy: 0.9815525374061054
Energy: 0.9858740208654132
Energy: 0.9774605796035641
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Energy: 0.9774605796035641
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Energy: 0.9550152414188962
Energy: 0.9547041990734131
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Energy: 0.9409727395698552
Energy: 1.0382041857488706
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Energy: 0.9917079979000825
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Energy: 0.977071806755502
Energy: 0.9395359463285472
Energy: 0.9460612170137356
Energy: 0.9525026147000447
Energy: 0.977071806755502
Energy: 0.9395359463285472
Energy: 0.9460612170106768
Energy: 1.0187721974607902
Energy: 0.9539701194422707
Energy: 0.9559100503660243
Energy: 0.9816012581604978
Energy: 1.0187721974577315
Energy: 0.9539701194422707
Energy: 0.9559100503629655
Energy: 0.9945846924550384
Energy: 0.9424488569541326
Energy: 0.9915851056456915
Energy: 0.9450697335213474
Energy: 0.9945846924550384
Energy: 0.9424488569541326
Energy: 0.9915851056426326
Energy: 0.9222795703177631
Energy: 0.958508281520985
Energy: 0.9800853571897706
Energy: 0.9569794005153179
Energy: 0.9222795703177631
Energy: 0.958508281520985
Energy: 0.9800853571897706
Energy: 0.946042930645469
Energy: 0.9916960927139279
Energy: 0.9998898996418638
Energy: 0.9856698809059248
Energy: 0.946042930645469
Energy: 0.9916960927139279
Energy: 0.9998898996418638
Energy: 0.9222785279775977
Energy: 0.9488084110133659
Energy: 0.9720688689192996
Energy: 0.9508653489903797
Energy: 0.9222785279775977
Energy: 0.9488084110133659
Energy: 0.9720688689192996

minimum gb energy = 0.9221530130829784 eV
minimum distance =  2.27764495345536 Angstroms
sigma value = 401


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

Energy: 0.98846384509481
Energy: 0.9790379514282092
Energy: 1.0013445214366652
Energy: 0.973668771420947
Energy: 0.9884638450941157
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Energy: 0.9687642245533791
Energy: 0.9857651756557702
Energy: 0.9455965019739064
Energy: 0.9318139443405123
Energy: 0.9687642245533791
Energy: 0.9857651756557702
Energy: 0.9293856370172658
Energy: 0.9400018147528734
Energy: 0.9528962940213649
Energy: 0.9636138284668906
Energy: 0.9293856370179601
Energy: 0.9400018147528734
Energy: 0.9528962940227538
Energy: 0.9355271123492438
Energy: 0.9518692238380632
Energy: 1.005145583611917
Energy: 0.9654714504168644
Energy: 0.9355271123503169
Energy: 0.9518692238383788
Energy: 1.0051455836122956
Energy: 0.9514744879467045
Energy: 0.9790382173201233
Energy: 1.002465762402292
Energy: 0.9553951518924463
Energy: 0.9514744879470832
Energy: 0.9790382173201233
Energy: 1.0251753348209183
Energy: 0.9516374350041901
Energy: 0.9922896602373491
Energy: 0.9529462641297075
Energy: 0.9619499214096411
Energy: 0.9516374350052632
Energy: 0.9922896602380434
Energy: 1.0408406659015093
Energy: 0.9336245836937161
Energy: 0.9672926735073768
Energy: 1.0623965921779106
Energy: 0.9720558483756151
Energy: 0.9336245836930218
Energy: 0.9672926735066824
Energy: 1.042772290933658
Energy: 0.9481516255872068
Energy: 0.9585359203579299
Energy: 0.9629363329114966
Energy: 0.9670075494599762
Energy: 0.9481516255872068
Energy: 0.9585359203582455
Energy: 1.0563001601695006
Energy: 0.9539025145295923
Energy: 0.9790379514275147
Energy: 0.9772760854872333
Energy: 0.9736687714220201
Energy: 0.9539025145309811
Energy: 0.9790379514275147
Energy: 0.9891439802831712
Energy: 0.941374037535525
Energy: 0.9563462966663488
Energy: 0.9877555822361518
Energy: 0.962216800210181
Energy: 0.9413740375358406
Energy: 0.9563462966670433
Energy: 0.9877555822354575

minimum gb energy = 0.9293856370165713 eV
minimum distance =  2.268132713496 Angstroms
sigma value = 311


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

Energy: 1.030994018225956
Energy: 0.9735352714012107
Energy: 1.0475662202452978
Energy: 0.9614394244717446
Energy: 1.030994018226357
Energy: 0.9735352714012107
Energy: 1.0312681370902634
Energy: 1.0084547284752736
Energy: 0.9847702735378415
Energy: 1.0084063587432226
Energy: 0.9835909395034677
Energy: 1.0084547284756749
Energy: 0.9847702735374407
Energy: 1.0084063587424206
Energy: 0.9771609334660591
Energy: 0.9630892742608755
Energy: 1.0742855870834407
Energy: 0.9734396404675393
Energy: 0.9771609334660591
Energy: 0.9630892742612764
Energy: 1.0742855870826389
Energy: 0.9695112674631766
Energy: 0.9625294762833925
Energy: 1.0428104024537737
Energy: 0.9421956315024284
Energy: 0.9695112674635776
Energy: 0.9625294762837935
Energy: 1.0428104024541744
Energy: 0.9771992921007786
Energy: 0.9654918874473772
Energy: 1.0471897847519043
Energy: 0.9851362834435252
Energy: 0.9771992921003778
Energy: 0.9654918874469764
Energy: 1.0471897847523053
Energy: 0.9615481167181598
Energy: 0.9565788479737325
Energy: 0.9795611307720733
Energy: 0.9428972124237758
Energy: 0.9615481167185606
Energy: 0.9565788479733315
Energy: 0.9795611307724743
Energy: 0.9733298270399645
Energy: 0.9666220580365081
Energy: 0.9941682597245419
Energy: 0.9821245309964763
Energy: 0.9733298270399645
Energy: 0.9666220580357062
Energy: 0.9855513158189542
Energy: 0.9600951838859261
Energy: 0.967350817876667
Energy: 0.9964544371826358
Energy: 0.9656394638956283
Energy: 0.9600951838855251
Energy: 0.967350817877068
Energy: 0.996454437182235
Energy: 0.9769783276507518
Energy: 0.9695881219842538
Energy: 1.0350601965507655
Energy: 0.9713271959711355
Energy: 0.9769783276495491
Energy: 0.9695881219838529
Energy: 1.0350601965507655
Energy: 0.9623444642806472
Energy: 0.9833433748527156
Energy: 1.0296620452047733
Energy: 0.9656949621905504
Energy: 0.9623444642806472
Energy: 0.9833433748527156
Energy: 1.0296620452047733
Energy: 1.0210781318505031
Energy: 0.9758583858212945
Energy: 1.0017716768656426
Energy: 0.9619499502734972
Energy: 1.0210781318505031
Energy: 0.9758583858208937
Energy: 1.0017716768656426
Energy: 1.0088079596755761
Energy: 0.9921714415681394
Energy: 1.0092274466156346
Energy: 0.9955774871756192
Energy: 1.0088079596747743
Energy: 0.9921714415681394
Energy: 1.0092274466148328
Energy: 0.9861734487665758
Energy: 0.9823242778993815
Energy: 1.0348645598135766
Energy: 0.9815912023096451
Energy: 0.9861734487661749
Energy: 0.9823242778989806
Energy: 1.0348645598135766
Energy: 0.9823447717506072
Energy: 0.9951763493076484
Energy: 1.0072330722846496
Energy: 0.9954161983483718
Energy: 0.9823447717502063
Energy: 0.9951763493076484
Energy: 1.007233072284285
Energy: 1.021651913730165
Energy: 0.987616568383186
Energy: 1.0064038580838726
Energy: 0.9676147071352658
Energy: 1.021651913730165
Energy: 0.9876165683827852
Energy: 1.0064038580838726
Energy: 0.9934325761891611
Energy: 1.0045738275905003
Energy: 1.0094884326159006
Energy: 0.987175842913873
Energy: 0.9934325761887604
Energy: 1.0045738275905003
Energy: 1.0094884326163014
Energy: 1.0186103598207716
Energy: 0.9643999863320137
Energy: 0.9842397610406451
Energy: 0.9916785122204418
Energy: 1.0186103598207716
Energy: 0.9643999863324147
Energy: 0.9842397610398433
Energy: 0.962361625600197
Energy: 0.9662840034156618
Energy: 0.9887655199246644
Energy: 0.9901481301430408
Energy: 0.962361625599796
Energy: 0.9662840034176663
Energy: 0.9887655199246644
Energy: 0.9721581014938855
Energy: 0.963449554587636
Energy: 1.0059049324951002
Energy: 0.9709759133147388
Energy: 0.9721581014938855
Energy: 0.963449554587636
Energy: 1.005904932494699
Energy: 0.9597995236336596
Energy: 0.9649384328586865
Energy: 1.0038560194703818
Energy: 0.9716751665449208
Energy: 0.9597995236336596
Energy: 0.9649384328586865
Energy: 1.0038560194703818
Energy: 0.9586657184731402
Energy: 0.9854491309922636
Energy: 1.0233145338958245
Energy: 0.9617674629147835
Energy: 0.9586657184727392
Energy: 0.9854491309926645
Energy: 1.0233145338962253
Energy: 0.9709269647125095
Energy: 0.9689283755899024
Energy: 0.9901730529278885
Energy: 0.9604401076648865
Energy: 0.9709269647125095
Energy: 0.9689283755895017
Energy: 0.9901730529278885
Energy: 1.0162836976758551
Energy: 0.9737514375366265
Energy: 1.0192930118231938
Energy: 0.9657671634168128
Energy: 1.0162836976762561
Energy: 0.9737514375362255
Energy: 0.9749764045733743
Energy: 0.9780933710011945
Energy: 0.9624395948490871
Energy: 1.0436100414990646
Energy: 0.9780839476800259
Energy: 0.9780933710015955
Energy: 0.9624395948486862
Energy: 1.0436100414990646
Energy: 0.9842854829121797
Energy: 0.9769410134628581
Energy: 1.0145285395610162
Energy: 0.9955002858481112
Energy: 0.9842854829125803
Energy: 0.9769410134628581
Energy: 1.0149015263242265
Energy: 0.996090562975417
Energy: 0.9740359447535087
Energy: 0.9746875180188738
Energy: 0.9725712188519917
Energy: 0.996090562975417
Energy: 0.9740359447535087
Energy: 0.9746875180188738
Energy: 1.0117613000579848
Energy: 0.973545037498471
Energy: 1.0541801478430373
Energy: 0.9613253517790058
Energy: 1.0117613000583856
Energy: 0.9735450374988719
Energy: 1.0509232128156227
Energy: 1.0396687371247382
Energy: 0.9877530204369309
Energy: 1.0135196831841857
Energy: 0.9933632529231275
Energy: 1.0396687371251392
Energy: 0.9877530204365302
Energy: 1.0135196831845867
Energy: 0.9766660500178053
Energy: 0.9632670933617998
Energy: 1.0436640808643634
Energy: 0.9801083101663909
Energy: 0.9766660500182062
Energy: 0.9632670933609979
Energy: 1.0436640808639626
Energy: 0.9693549883821514
Energy: 0.978474273042791
Energy: 1.0356824382792436
Energy: 0.9576330140072268
Energy: 0.9693549883825523
Energy: 0.978474273043192
Energy: 1.0356824382792436
Energy: 0.9771419637420162
Energy: 0.9653835665990526
Energy: 1.0145132412902567
Energy: 0.9849145869332504
Energy: 0.9771419637420162
Energy: 0.9653835665990526
Energy: 1.0145132412898556
Energy: 0.960997101480117
Energy: 0.9794857527163606
Energy: 0.9922008178328198
Energy: 0.9426576600148533
Energy: 0.9609971014797161
Energy: 0.9794857527167615
Energy: 0.9922008178332206
Energy: 0.9724870503000882
Energy: 0.9849029236760498
Energy: 0.9942662912943583
Energy: 0.9876563099241226
Energy: 0.9724870503000882
Energy: 0.9849029236760498
Energy: 0.9892997461014242
Energy: 0.9600902455919758
Energy: 0.9676097946204056
Energy: 0.9968194040633489
Energy: 0.9827419389315339
Energy: 0.9600902455915751
Energy: 0.9676097946204056
Energy: 0.9968194040633489
Energy: 0.9770098842315118
Energy: 0.9738474762902535
Energy: 1.0395037581536921
Energy: 0.9608598093517399
Energy: 0.9770098842315118
Energy: 0.9738474762906545
Energy: 1.039503758154093
Energy: 0.9622433992453705
Energy: 0.98335773915559
Energy: 1.076939280108105
Energy: 0.9659112416234326
Energy: 0.9622433992461724
Energy: 0.9833577391559908
Energy: 1.076939280108105

minimum gb energy = 0.9421956315024284 eV
minimum distance =  2.29872953308509 Angstroms
sigma value = 39


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

Energy: 0.9575674865022235
Energy: 0.9891963346032573
Energy: 1.0393610385954062
Energy: 0.9889569618752818
Energy: 0.9575674865022235
Energy: 0.9891963346042035
Energy: 1.029510806808891
Energy: 0.946140370274217
Energy: 0.9729456120385421
Energy: 0.909572027186109
Energy: 0.9676556492868169
Energy: 0.9461403702732707
Energy: 0.972945612038069
Energy: 0.9095720271865821
Energy: 0.957713291973283
Energy: 0.8962997076864153
Energy: 0.9743631789910973
Energy: 0.9601296582489894
Energy: 0.957713291973283
Energy: 0.8962997076859422
Energy: 0.9743631789910973
Energy: 0.9541810676530433
Energy: 0.9984998735649645
Energy: 0.9097235440465491
Energy: 0.9859041017927969
Energy: 0.9541810676525703
Energy: 0.9984998735649645
Energy: 0.9097235440470222
Energy: 1.018115079682257
Energy: 0.9601975273436947
Energy: 0.9585507057612392
Energy: 0.960144142087532
Energy: 1.0181150796836762
Energy: 0.9601975273436947
Energy: 0.958550705760293
Energy: 0.9541085948667021
Energy: 0.9665296914370999
Energy: 1.0363941879791654
Energy: 0.9783398462116416
Energy: 0.9541085948662289
Energy: 0.9665296914366267
Energy: 1.0363941879786922
Energy: 1.0932401052811278
Energy: 0.9606389969376363
Energy: 0.9917482791987832
Energy: 0.9598000109773164
Energy: 1.0932401052801815
Energy: 0.9606389969376363
Energy: 0.9802530680066069
Energy: 0.9623612962711031
Energy: 0.9067417348092999
Energy: 1.068261152869691
Energy: 0.9068317283184276
Energy: 0.9623612962706299
Energy: 0.9067417348092999
Energy: 1.0682611528701642
Energy: 1.0932331452148547
Energy: 0.9596551340218706
Energy: 0.9934544738079183
Energy: 0.9606713946327837
Energy: 1.0932331452148547
Energy: 0.9596551340232901
Energy: 0.9580429366963297
Energy: 0.9542367798652789
Energy: 0.978300962803751
Energy: 1.0361853555712555
Energy: 0.9664571826871313
Energy: 0.9542367798652789
Energy: 0.978300962803751
Energy: 1.0361853555712555
Energy: 1.0181635013903645
Energy: 0.9600937140277613
Energy: 1.0084679936503682
Energy: 0.9598494428208233
Energy: 1.0181635013898913
Energy: 0.9600937140277613
Energy: 1.008467993652261
Energy: 0.9542159693770704
Energy: 0.9857360221257687
Energy: 0.9096529008701426
Energy: 0.9985827459063054
Energy: 0.9542159693765973
Energy: 0.9857360221262419
Energy: 0.9096529008701426
Energy: 0.9577087818651487
Energy: 0.9601922557048378
Energy: 0.9891353105979784
Energy: 0.8960813577131739
Energy: 0.9577087818651487
Energy: 0.9601922557048378
Energy: 0.9891353105984516
Energy: 0.9462791644425452
Energy: 0.9984913252144643
Energy: 0.9095363221840611
Energy: 0.9730277708516496
Energy: 0.9462791644415989
Energy: 0.9984913252144643
Energy: 0.9095363221845343
Energy: 0.9575674865026966
Energy: 0.9891963346037305
Energy: 1.0295108068069982
Energy: 0.9889569618748086
Energy: 0.9575674865022235
Energy: 0.9891963346037305
Energy: 1.0198694083958655
Energy: 0.946140370274217
Energy: 0.9729456120385421
Energy: 0.909572027186109
Energy: 0.9676556492868169
Energy: 0.9461403702732707
Energy: 0.972945612038069
Energy: 0.9095720271865821
Energy: 0.9577132919728099
Energy: 0.8962997076859422
Energy: 0.9743631789910973
Energy: 0.9601296582494627
Energy: 0.957713291973283
Energy: 0.8962997076854691
Energy: 0.9743631789910973
Energy: 0.9541810676530433
Energy: 0.9984998735654377
Energy: 0.9097235440470222
Energy: 0.98590410179327
Energy: 0.9541810676530433
Energy: 0.9984998735654377
Energy: 0.9097235440470222
Energy: 1.0181150796784717
Energy: 0.9601975273436947
Energy: 0.9585507057607661
Energy: 0.960144142087532
Energy: 1.0181150796775253
Energy: 0.9601975273436947
Energy: 0.9585507057598196
Energy: 0.9541085948662289
Energy: 0.9665296914366267
Energy: 1.0363941879791654
Energy: 0.9783398462116416
Energy: 0.9541085948662289
Energy: 0.9665296914366267
Energy: 1.0363941879786922
Energy: 1.0932401052806546
Energy: 0.9606389969376363
Energy: 0.9458550640249344
Energy: 0.9598000109777898
Energy: 1.0932401052797085
Energy: 0.9606389969376363
Energy: 0.9458550640263538
Energy: 0.9623612962696836
Energy: 0.9067417348092999
Energy: 1.0682611528701642
Energy: 0.9068317283184276
Energy: 0.9623612962701568
Energy: 0.9067417348092999
Energy: 1.0682611528701642
Energy: 1.0932331452148547
Energy: 0.9596551340223437
Energy: 0.958042936697276
Energy: 0.9606713946327837
Energy: 1.0932331452148547
Energy: 0.9596551340237631
Energy: 0.9580429366963297
Energy: 0.9542367798652789
Energy: 0.978300962803751
Energy: 1.0361853555707823
Energy: 0.9664571826866583
Energy: 0.954236779865752
Energy: 0.9783009628042241
Energy: 1.0361853555712555
Energy: 1.0181635013894181
Energy: 0.9600937140282345
Energy: 0.9550046793419222
Energy: 0.9598494428203501
Energy: 1.0181635013898913
Energy: 0.9600937140291809
Energy: 0.9860684712850241
Energy: 0.9542159693765973
Energy: 0.9857360221257687
Energy: 0.9096529008696694
Energy: 0.9985827459063054
Energy: 0.9542159693770704
Energy: 0.9857360221262419
Energy: 0.9096529008701426
Energy: 0.9577087818651487
Energy: 0.9601922557043646
Energy: 0.9853827442770765
Energy: 0.8960813577127007
Energy: 0.9577087818656218
Energy: 0.9601922557048378
Energy: 0.9853827442761303
Energy: 0.9462791644430184
Energy: 0.998491325213518
Energy: 0.9095363221840611
Energy: 0.9730277708511764
Energy: 0.946279164442072
Energy: 0.9984913252139911
Energy: 0.9095363221840611
Energy: 0.9575674865022235
Energy: 0.9891963346032573
Energy: 1.0198694083953923
Energy: 0.9889569618748086
Energy: 0.9575674865022235
Energy: 0.9891963346042035
Energy: 1.0198694083958655
Energy: 0.946140370274217
Energy: 0.9729456120385421
Energy: 0.909572027186109
Energy: 0.9676556492877633
Energy: 0.9461403702732707
Energy: 0.9729456120375958
Energy: 0.9095720271865821

minimum gb energy = 0.8960813577127007 eV
minimum distance =  2.33208471258404 Angstroms
sigma value = 21


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

Energy: 1.0053436896735377
Energy: 1.025663841457986
Energy: 1.0659862119949786
Energy: 1.025753402711736
Energy: 1.0053436896735377
Energy: 1.0256638414585604
Energy: 1.0049091223109863
Energy: 1.0133802002443029
Energy: 0.958947519660287
Energy: 0.9008859689236637
Energy: 0.9582616170670178
Energy: 1.0133802002443029
Energy: 0.958947519660287
Energy: 0.9008859689236637
Energy: 0.9973238252395945
Energy: 0.941821258415067
Energy: 0.9816887976362262
Energy: 0.9532075854367945
Energy: 0.9973238252384458
Energy: 0.941821258415067
Energy: 0.9816887976362262
Energy: 1.0118064133959883
Energy: 0.9576003113253799
Energy: 0.9374581602387951
Energy: 0.9588106918231403
Energy: 1.011806413396563
Energy: 0.9576003113259542
Energy: 0.9374581602393696
Energy: 0.9608386032709163
Energy: 0.9240773259676333
Energy: 0.9888900093202818
Energy: 0.9254973448554484
Energy: 0.9608386032714906
Energy: 0.9240773259670588
Energy: 0.9888900093197074
Energy: 1.0118462720212396
Energy: 0.9889327294214482
Energy: 0.9889020227720015
Energy: 0.9581337538238872
Energy: 1.0118462720212396
Energy: 0.9889327294214482
Energy: 0.9889020227720015
Energy: 0.9971197023476448
Energy: 0.9244831475909621
Energy: 0.9887829530292799
Energy: 0.9743666125778752
Energy: 0.9971197023476448
Energy: 0.9244831475909621
Energy: 0.9887829530292799
Energy: 1.0050443966168556
Energy: 0.955001443249437
Energy: 0.9872773588745347
Energy: 0.958706700012308
Energy: 1.0050443966168556
Energy: 0.955001443249437
Energy: 0.9872773588745347
Energy: 0.9971291800374242
Energy: 0.9584119445620211
Energy: 0.9737810787960928
Energy: 0.9680991404135006
Energy: 0.99712918003685
Energy: 0.9584119445625954
Energy: 0.9737810787960928
Energy: 0.99791890068362
Energy: 0.9526950522089183
Energy: 0.927975946365631
Energy: 0.9588207418144314
Energy: 0.99791890068362
Energy: 0.9526950522089183
Energy: 0.9279759463650565
Energy: 1.0106982514827008
Energy: 0.9684025450670432
Energy: 0.9748923047377677
Energy: 0.9659968131501977
Energy: 1.0106982514832752
Energy: 0.9684025450670432
Energy: 0.9748923047371935
Energy: 0.9052444627761287
Energy: 0.9222858425726467
Energy: 0.9227630663960796
Energy: 0.922782549503153
Energy: 0.9052444627761287
Energy: 0.9222858425737954
Energy: 0.9227630663960796
Energy: 1.014338714556136
Energy: 0.9658353031016451
Energy: 0.984194313676996
Energy: 0.9586632325972347
Energy: 1.014338714556136
Energy: 0.9658353031016451
Energy: 0.984194313676996
Energy: 0.9051816687057861
Energy: 0.9214229863367455
Energy: 0.9876564508208437
Energy: 0.9230840382944171
Energy: 0.9051816687063605
Energy: 0.9214229863378941
Energy: 0.9876564508208437
Energy: 1.0181470740320138
Energy: 0.9215861073878807
Energy: 0.9611340898124087
Energy: 0.9588483360266443
Energy: 1.0181470740320138
Energy: 0.9215861073878807
Energy: 0.9611340898124087
Energy: 0.9054712378405415
Energy: 1.0057030762885566
Energy: 0.9698323123061072
Energy: 0.9737147054423183
Energy: 0.9054712378405415
Energy: 1.0057030762885566
Energy: 0.9698323123061072
Energy: 1.01833453229143
Energy: 0.9195825521054091
Energy: 1.0063189995718678
Energy: 0.9586625356698443
Energy: 1.0183345322908555
Energy: 0.9195825521054091
Energy: 1.0063189995718678
Energy: 0.9052196300212825
Energy: 0.9637251869532275
Energy: 0.969898695552749
Energy: 1.0056956274240119
Energy: 0.9052196300212825
Energy: 0.9637251869538019
Energy: 0.969898695552749
Energy: 0.9897411402884485
Energy: 0.9195421523449131
Energy: 1.0353358631560199
Energy: 0.9615980127606183
Energy: 0.9897411402884485
Energy: 0.9195421523449131
Energy: 1.0353358631560199
Energy: 0.9054033913849789
Energy: 0.9989161699418078
Energy: 0.9735317566881213
Energy: 0.9987766968276854
Energy: 0.9054033913849789
Energy: 0.9989161699412336
Energy: 0.9735317566881213
Energy: 0.9897304466900747
Energy: 0.9614110807882559
Energy: 1.0353406715364388
Energy: 0.9204120707529961
Energy: 0.9897304466906491
Energy: 0.9614110807882559
Energy: 1.0353406715364388
Energy: 0.9052132905510561
Energy: 1.005706507193025
Energy: 0.969861666505193
Energy: 0.9636402771176962
Energy: 0.9052132905510561
Energy: 1.005706507193025
Energy: 0.969861666505193
Energy: 1.0183260997010906
Energy: 0.9588287804708635
Energy: 1.0069641337716109
Energy: 0.9197412341919156
Energy: 1.0183260997010906
Energy: 0.9588287804708635
Energy: 1.0069641337716109
Energy: 0.9052741967159681
Energy: 0.9737943134002821
Energy: 0.9697967312454847
Energy: 1.0059089105922734
Energy: 0.9052741967159681
Energy: 0.9737943134002821
Energy: 0.9697967312454847
Energy: 1.0182334800374602
Energy: 0.9588354230362396
Energy: 0.9338198071267902
Energy: 0.9195743826144079
Energy: 1.0182334800374602
Energy: 0.9588354230362396
Energy: 0.9338198071273647

minimum gb energy = 0.9008859689236637 eV
minimum distance =  2.32316938382501 Angstroms
sigma value = 113


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

Energy: 0.9450412166698385
Energy: 1.0386394145510158
Energy: 0.9933027766994685
Energy: 1.0386882415806344
Energy: 0.9450412166698385
Energy: 1.0386394145510158
Energy: 0.956883740564333
Energy: 1.008012282620578
Energy: 0.9859221903573576
Energy: 0.9174350213263903
Energy: 0.9868355325604435
Energy: 1.008012282620578
Energy: 0.9859221903573576
Energy: 0.9174350213263903
Energy: 0.9450453441541427
Energy: 0.986583142068039
Energy: 0.9886707121512361
Energy: 0.9630814726881426
Energy: 0.9450453441541427
Energy: 0.986583142068039
Energy: 0.9886707121512361
Energy: 0.9121116888283284
Energy: 0.9922985530935677
Energy: 0.9219154787920819
Energy: 0.9931889444687271
Energy: 0.9121116888251226
Energy: 0.9922985530935677
Energy: 0.9219154787952876
Energy: 0.926856418275585
Energy: 0.9356295385865043
Energy: 1.0047320261191477
Energy: 0.9183521162640358
Energy: 0.9268564182787906
Energy: 0.9356295385865043
Energy: 1.0047320261191477
Energy: 0.9120901670668348
Energy: 0.9420188880013795
Energy: 0.9766798390367002
Energy: 0.9363217948978827
Energy: 0.9120901670668348
Energy: 0.9420188880013795
Energy: 0.9766798390367002
Energy: 0.9164944928443238
Energy: 0.9352937530872025
Energy: 0.9547087034068508
Energy: 0.9303878488080811
Energy: 0.9164944928443238
Energy: 0.9352937530904082
Energy: 0.9547087034100565
Energy: 0.9141282591847787
Energy: 0.952922848074187
Energy: 0.9343625178805
Energy: 0.9312091401170197
Energy: 0.9141282591847787
Energy: 0.9529228480709814
Energy: 0.9343625178837057
Energy: 0.9163086602259333
Energy: 0.9165996694633273
Energy: 1.0019423588823602
Energy: 0.9099882820734574
Energy: 0.9163086602259333
Energy: 0.9165996694633273
Energy: 1.0019423588791545
Energy: 0.9058328421161124
Energy: 0.9549598538698578
Energy: 0.9453462065572905
Energy: 0.9288349734433403
Energy: 0.9058328421161124
Energy: 0.9549598538698578
Energy: 0.9453462065572905
Energy: 0.9164143624235906
Energy: 0.9448902705673092
Energy: 0.9985445229413682
Energy: 0.9099921633539284
Energy: 0.9164143624235906
Energy: 0.9448902705673092
Energy: 0.9985445229413682
Energy: 0.9056766748197116
Energy: 0.9372381367705889
Energy: 0.9786487170649025
Energy: 0.949059158827048
Energy: 0.9056766748197116
Energy: 0.9372381367705889
Energy: 0.9786487170649025
Energy: 0.9170086296913054
Energy: 0.9509120131688674
Energy: 0.9983506957754141
Energy: 0.9320386065202252
Energy: 0.9170086296913054
Energy: 0.9509120131688674
Energy: 0.9983506957754141
Energy: 0.9393391970491227
Energy: 0.9685694857469068
Energy: 0.9785172527106395
Energy: 0.9557709256248794
Energy: 0.9393391970491227
Energy: 0.9685694857469068
Energy: 0.9785172527106395
Energy: 0.917048160257387
Energy: 0.9607688015461704
Energy: 1.0165714885266297
Energy: 0.9684185449874524
Energy: 0.917048160257387
Energy: 0.9607688015461704
Energy: 1.0165714885266297
Energy: 0.9393722454923248
Energy: 0.9329419928250062
Energy: 0.9863880976356015
Energy: 0.949278216922642
Energy: 0.9393722454923248
Energy: 0.9329419928218006
Energy: 0.9863880976356015
Energy: 0.9412012551671791
Energy: 0.950632529426855
Energy: 1.0179559100929507
Energy: 0.935097194644038
Energy: 0.9412012551671791
Energy: 0.950632529426855
Energy: 1.0179559100929507
Energy: 0.9059605488060962
Energy: 0.9126395629524221
Energy: 0.9875527750732223
Energy: 0.9510878738957489
Energy: 0.9059605488060962
Energy: 0.9126395629556278
Energy: 0.9875527750700166
Energy: 0.9411687126823113
Energy: 0.9298687263994411
Energy: 1.010912155259162
Energy: 0.9446981183889406
Energy: 0.9411687126791057
Energy: 0.9298687263994411
Energy: 1.010912155259162
Energy: 0.9060528337848226
Energy: 0.9323910752441457
Energy: 0.9740283758799184
Energy: 0.9324566199766964
Energy: 0.9060528337848226
Energy: 0.9323910752441457
Energy: 0.9740283758831241
Energy: 0.9285507943344032
Energy: 0.9324357184926779
Energy: 0.9396344274930822
Energy: 0.9553417618208555
Energy: 0.9285507943344032
Energy: 0.9324357184926779
Energy: 0.9396344274930822
Energy: 0.9061360973611822
Energy: 0.9311696654688697
Energy: 0.9388485262574758
Energy: 0.9402057685589715
Energy: 0.9061360973611822
Energy: 0.9311696654688697
Energy: 0.9388485262574758
Energy: 0.9355374468279644
Energy: 0.9275166628515928
Energy: 0.9769025588384529
Energy: 0.9855592276943941
Energy: 0.9355374468279644
Energy: 0.9275166628515928
Energy: 0.9769025588384529
Energy: 0.9140073944100499
Energy: 0.9367176358639614
Energy: 1.0089789468338004
Energy: 0.940404575218506
Energy: 0.9140073944100499
Energy: 0.9367176358639614
Energy: 1.0089789468305947
Energy: 0.9350069084463696
Energy: 0.9827764113543005
Energy: 0.9863104196035273
Energy: 1.0452146243425442
Energy: 0.9350069084463696
Energy: 0.9827764113543005
Energy: 0.9863104196067328
Energy: 0.9291660488114457
Energy: 0.9780980974674766
Energy: 1.0830273732763112
Energy: 0.9250988210720844
Energy: 0.9291660488114457
Energy: 0.9780980974674766
Energy: 1.0830273732795168
Energy: 1.0485482013088672
Energy: 0.9787028185243537
Energy: 0.9524556607504867
Energy: 1.0376391877326274
Energy: 1.0485482013088672
Energy: 0.9787028185243537
Energy: 0.9524556607504867
Energy: 0.9362386866996697
Energy: 1.0362775354070313
Energy: 1.0833563421658252
Energy: 0.9878644108495677
Energy: 0.9362386866996697
Energy: 1.0362775354038256
Energy: 1.0833563421658252
Energy: 1.0483233779515009
Energy: 0.9787830515254567
Energy: 0.9421533654101106
Energy: 1.0374841839869493
Energy: 1.0483233779547065
Energy: 0.9787830515254567
Energy: 0.9479315829935102
Energy: 0.9364325045092394
Energy: 0.9767538870307908
Energy: 1.0121025253550637
Energy: 0.9268837038689522
Energy: 0.9364325045092394
Energy: 0.9767538870307908
Energy: 1.0121025253550637
Energy: 0.9278128483666299
Energy: 0.9786714083713501
Energy: 0.9696576948361556
Energy: 1.0459321837292948
Energy: 0.9278128483666299
Energy: 0.9786714083649971
Energy: 0.9696576948393613
Energy: 0.9366369277701188
Energy: 0.935278957175555
Energy: 0.9936499637791931
Energy: 0.9415621252707537
Energy: 0.9366369277701188
Energy: 0.935278957175555
Energy: 0.9936499637791931
Energy: 0.9277931869680789
Energy: 0.9298207503521805
Energy: 0.9694229910209344
Energy: 0.9726715402855508
Energy: 0.9277931869680789
Energy: 0.9298207503521805
Energy: 0.9694229910241402
Energy: 0.9485799306115322
Energy: 0.9351994654550411
Energy: 0.9960275077031836
Energy: 0.9448643025930956
Energy: 0.9485799306083266
Energy: 0.9351994654550411
Energy: 0.9960275077031836
Energy: 0.92954868736411
Energy: 0.9277388102584403
Energy: 0.9962221465346782
Energy: 0.9741270640220195
Energy: 0.92954868736411
Energy: 0.9277388102584403
Energy: 0.9962221465346782
Energy: 0.9486552990901688
Energy: 0.9332378685994775
Energy: 1.0184670612216284
Energy: 0.9278407060209312
Energy: 0.9486552990901688
Energy: 0.9332378685994775
Energy: 1.0184670612216284
Energy: 0.9295470573183985
Energy: 0.9181760873300211
Energy: 0.9748964521883065
Energy: 0.992639183947597
Energy: 0.9295470573183985
Energy: 0.9181760873268153
Energy: 0.9748964521883065
Energy: 0.9496443268582523
Energy: 0.9319473327740796
Energy: 1.0029799928137533
Energy: 0.9241892986778222
Energy: 0.9496443268582523
Energy: 0.9319473327740796
Energy: 1.0029799928169587
Energy: 0.9296070032972531
Energy: 0.9705024847819832
Energy: 1.0079797632936196
Energy: 0.9744349744247994
Energy: 0.9296070032972531
Energy: 0.9705024847819832
Energy: 1.007979763290414
Energy: 0.9495367634677946
Energy: 0.9724466625179033
Energy: 1.0053039686144067
Energy: 0.9467160556529413
Energy: 0.9495367634677946
Energy: 0.9724466625179033
Energy: 1.0053039686144067
Energy: 0.9776256573601227
Energy: 0.9692397744066675
Energy: 0.9586803003907368
Energy: 0.9743740849556871
Energy: 0.9776256573601227
Energy: 0.9692397744034619
Energy: 0.958680300387531
Energy: 0.9495893921846497
Energy: 0.9593642500996756
Energy: 1.0660095571564268
Energy: 0.9735301053417296
Energy: 0.9495893921846497
Energy: 0.9593642500996756
Energy: 1.0660095571564268
Energy: 0.9286386755821446
Energy: 0.9692293632762506
Energy: 0.9475155800516227
Energy: 0.9741525378262705
Energy: 0.9286386755853502
Energy: 0.9692293632762506
Energy: 0.9475155800516227
Energy: 0.9504177747168615
Energy: 0.9348380092720717
Energy: 0.9855709886649697
Energy: 0.9315731284324902
Energy: 0.9504177747168615
Energy: 0.9348380092752773
Energy: 0.9855709886681754
Energy: 0.9056157171324399
Energy: 0.9744271526431653
Energy: 0.9469303565807129
Energy: 0.9914935736959107
Energy: 0.9056157171324399
Energy: 0.9744271526399595
Energy: 0.9469303565807129

minimum gb energy = 0.9056157171324399 eV
minimum distance =  2.31688838935338 Angstroms
sigma value = 365


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

Energy: 0.8992141607599446
Energy: 0.8255834449061128
Energy: 1.14909393104299
Energy: 0.8255834449053903
Energy: 0.8992141607599446
Energy: 0.8255834449061128
Energy: 0.9336365583905011
Energy: 0.8992141607606674
Energy: 0.8255834449061128
Energy: 1.1490939310422674
Energy: 0.8255834449053903
Energy: 0.8992141607599446
Energy: 0.8255834449053903
Energy: 1.1490939310422674
Energy: 0.8992141607606674
Energy: 0.8255834449053903
Energy: 0.9185461878786787
Energy: 0.8255834449053903
Energy: 0.8992141607613899
Energy: 0.8255834449061128
Energy: 0.9185461878887973
Energy: 0.8992141607606674
Energy: 0.8255834449053903
Energy: 0.918546187779694
Energy: 0.8255834449053903
Energy: 0.8992141607613899
Energy: 0.8255834449061128
Energy: 0.9185461878187229
Energy: 0.8992141607606674
Energy: 0.8255834449061128
Energy: 0.918546187705283
Energy: 0.8255834449053903
Energy: 0.8992141607599446
Energy: 0.8255834449053903
Energy: 0.9185461877551533
Energy: 0.8992141607599446
Energy: 0.8255834449053903
Energy: 0.9958565850497628
Energy: 0.8255834449046675
Energy: 0.8992141607606674
Energy: 0.8255834449061128
Energy: 0.9958565850504856
Energy: 0.8992141607606674
Energy: 0.8255834449061128
Energy: 0.9958565850504856
Energy: 0.8255834449053903
Energy: 0.8992141607599446
Energy: 0.8255834449061128
Energy: 0.9958565850504856
Energy: 0.8992141607606674
Energy: 0.8255834449061128
Energy: 0.9958565850504856
Energy: 0.8255834449053903
Energy: 0.8992141607606674
Energy: 0.8255834449053903
Energy: 0.9958565850504856
Energy: 0.8992141607606674
Energy: 0.8255834449053903
Energy: 0.9336365583912238
Energy: 0.8255834449046675
Energy: 0.8992141607606674
Energy: 0.8255834449061128
Energy: 0.9336365583919467
Energy: 0.8992141607613899
Energy: 0.8255834449053903
Energy: 0.9336365583905011
Energy: 0.8255834449053903
Energy: 0.8992141607613899
Energy: 0.8255834449061128
Energy: 0.9336365583905011
Energy: 0.8992141607599446
Energy: 0.8255834449061128
Energy: 0.9336365583912238
Energy: 0.8255834449053903
Energy: 0.8992141607599446
Energy: 0.8255834449053903
Energy: 0.9336365583905011
Energy: 0.8992141607599446
Energy: 0.8255834449053903
Energy: 0.8666179636643028
Energy: 0.8255834449053903
Energy: 0.8992141607599446
Energy: 0.8255834449061128
Energy: 0.8666179636650253
Energy: 0.8992141607599446
Energy: 0.8255834449061128
Energy: 0.8666179636643028
Energy: 0.8255834449053903
Energy: 0.8992141607599446
Energy: 0.8255834449061128
Energy: 0.8666179636650253
Energy: 0.8992141607606674
Energy: 0.8255834449061128
Energy: 0.8666179636635798
Energy: 0.8255834449053903
Energy: 0.8992141607599446
Energy: 0.8255834449053903
Energy: 0.8666179636643028
Energy: 0.8992141607606674
Energy: 0.8255834449053903
Energy: 0.8666179636643028
Energy: 0.8255834449046675
Energy: 0.8992141607606674
Energy: 0.8255834449061128
Energy: 0.8666179636635798
Energy: 0.8992141607613899
Energy: 0.8255834449053903
Energy: 0.8666179636643028
Energy: 0.8255834449053903
Energy: 0.8992141607613899
Energy: 0.8255834449061128
Energy: 0.8666179636621344
Energy: 0.8992141607613899
Energy: 0.8255834449061128
Energy: 0.8666179636650253
Energy: 0.8255834449053903
Energy: 0.8992141607606674
Energy: 0.8255834449053903
Energy: 0.8666179636643028
Energy: 0.8992141607606674
Energy: 0.8255834449053903
Energy: 0.8666179636643028
Energy: 0.8255834449046675
Energy: 0.8992141607606674
Energy: 0.8255834449061128
Energy: 0.8666179636635798
Energy: 0.8992141607599446
Energy: 0.8255834449053903
Energy: 0.8666179636628571
Energy: 0.8255834449046675
Energy: 0.8992141607599446
Energy: 0.8255834449061128
Energy: 0.8666179636635798
Energy: 0.8992141607599446
Energy: 0.8255834449061128
Energy: 0.8666179636643028
Energy: 0.8255834449053903
Energy: 0.8992141607606674
Energy: 0.8255834449053903
Energy: 0.8666179636643028

minimum gb energy = 0.8255834449046675 eV
minimum distance =  2.41619160803606 Angstroms
sigma value = 23