Model name: model_name=EAM_Dynamo_FarkasJones_1996_NbTiAl__MO_042691367780_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.869337007403374
cohesive_energy=3.206600283772908
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
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: 0.012250904454434006
Energy: 0.25017189625815617
Energy: 0.2501718962594179
Energy: 0.01225090445317228
Energy: 0.2501718962594179
Energy: 0.25017189625689445
Energy: 0.01225090445317228
Energy: 0.25017189625689445
Energy: 0.25017189625815617
Energy: 0.01225090445317228
Energy: 0.24920688554117468
Energy: 0.01319934723920577
Energy: 0.2510173418105847
Energy: 0.24920688554117468
Energy: 0.01319934723920577
Energy: 0.2510173418105847
Energy: 0.24920688554117468
Energy: 0.013199347241729222
Energy: 0.2510173418105847
Energy: 0.24920688554117468
Energy: 0.6319516152637844
Energy: 0.3763047332278185
Energy: 0.14160247716611407
Energy: 0.6319558785327739
Energy: 0.5026341656751998
Energy: 0.1416024771673758
Energy: 0.6319717393347534
Energy: 0.14160247716863752
Energy: 0.14160247716611407
Energy: 0.6319516693122812
Energy: 0.24920688553865122
Energy: 0.2510173418105847
Energy: 0.01319934723920577
Energy: 0.249206885539913
Energy: 0.2510173418118465
Energy: 0.013199347240467497
Energy: 0.24920688553865122
Energy: 0.2510173418105847
Energy: 0.01319934723920577
Energy: 0.249206885539913
Energy: 0.012250904454434006
Energy: 0.25017189625815617
Energy: 0.25017189625815617
Energy: 0.012250904454434006
Energy: 0.25017189625815617
Energy: 0.25017189625689445
Energy: 0.012250904454434006
Energy: 0.25017189625815617
Energy: 0.25017189625815617
Energy: 0.012250904454434006
Energy: 0.249206885539913
Energy: 0.013199347240467497
Energy: 0.2510173418105847
Energy: 0.24920688554117468
Energy: 0.01319934723920577
Energy: 0.2510173418105847
Energy: 0.249206885539913
Energy: 0.01319934723920577
Energy: 0.2510173418105847
Energy: 0.24920688554117468
Energy: 0.6319520267642987
Energy: 0.01547228700031505
Energy: 0.14160247716863752
Energy: 0.6319561884653501
Energy: 0.16305701174858805
Energy: 0.14160247716863752
Energy: 0.6319741949846284
Energy: 0.3132301050198945
Energy: 0.14160247716863752
Energy: 0.6319667190678209

minimum gb energy = 0.01225090445317228 eV
minimum distance =  2.55343047578905 Angstroms
sigma value = 3


========================================
theta = 23.07391806563098
========================================

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Energy: 0.8839127908330332
Energy: 0.8844581411595115
Energy: 0.7475486994137477
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Energy: 0.7941236279590138
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Energy: 0.751253503137609
Energy: 0.7677642358789822
Energy: 0.8481067441153336
Energy: 0.7512535031382271
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Energy: 0.8481067441137883
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Energy: 0.7512535031450264
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Energy: 0.8444562227746231
Energy: 0.7618971340806233
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Energy: 0.6569690618911154
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Energy: 0.763866193635261
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Energy: 0.8739518909995189
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Energy: 0.8367520518571631
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Energy: 0.7678737101360702
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Energy: 0.8367520518522182
Energy: 0.847760090812605
Energy: 0.7678737101326706
Energy: 0.8367520518574723
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Energy: 0.7068866601554062
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Energy: 0.893628863049804
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Energy: 0.8251109233068795
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Energy: 0.6342041840771931
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Energy: 0.825110923293309
Energy: 0.6342041840728663
Energy: 0.8861180750260409
Energy: 0.6567349205690823
Energy: 0.85793971987359
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Energy: 0.8579397198797711
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Energy: 0.8579397198813165
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Energy: 0.8661413607476358
Energy: 0.8252028679264894
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Energy: 0.710067412908399
Energy: 0.8473838973955216
Energy: 0.7670203685124862
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Energy: 0.8473838973961398
Energy: 0.7531767568909363
Energy: 0.7100674129034821
Energy: 0.8473838973976852
Energy: 0.7670203685078786
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Energy: 0.7941236279651951
Energy: 0.8839127908302516
Energy: 0.8844581411582753
Energy: 0.7475486994156021
Energy: 0.8839127908274701
Energy: 0.8844581411585843
Energy: 0.7941236279605591
Energy: 0.8839127908302516
Energy: 0.8844581411573481
Energy: 0.7475486994159112
Energy: 0.7512535031354457
Energy: 0.767764235878055
Energy: 0.8481067441137883
Energy: 0.7512535031351366
Energy: 0.7677642358774369
Energy: 0.8481067441137883
Energy: 0.7512535031419358
Energy: 0.7677642358817637
Energy: 0.8481067441097705
Energy: 0.7512535031410087
Energy: 0.7382681439182557
Energy: 0.9664782678487834
Energy: 0.844456222859867
Energy: 0.7618971340815505
Energy: 0.966478267851565
Energy: 0.8444562228163178
Energy: 0.7382681439173284
Energy: 0.966478267851565
Energy: 0.8444562227727688
Energy: 0.7618971340824777
Energy: 0.8952493224023943
Energy: 0.8704130025292337
Energy: 0.6569690618911154
Energy: 0.8952493224051759
Energy: 0.870413002530161
Energy: 0.6569690618874067
Energy: 0.8952493224030125
Energy: 0.8704130025267613
Energy: 0.6569690618901882
Energy: 0.8952493224027033

minimum gb energy = 0.6341573282550459 eV
minimum distance =  2.49642828828029 Angstroms
sigma value = 75


========================================
theta = 34.04773236999154
========================================

Energy: 0.8291723853493997
Energy: 0.6895382277157068
Energy: 0.6899235239713253
Energy: 0.7357618660996523
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minimum gb energy = 0.689409139167764 eV
minimum distance =  2.43125789642585 Angstroms
sigma value = 105


========================================
theta = 38.572650822227786
========================================

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Energy: 0.8261003963056823
Energy: 0.8037094962029535
Energy: 0.8056094374870865
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Energy: 0.7858758139617206
Energy: 0.7692178245920661
Energy: 0.8170020318621423
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Energy: 0.7691227300562221
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Energy: 0.7724252985968502
Energy: 0.8489376519130128
Energy: 0.7769664445650928
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Energy: 0.8489376519123324
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Energy: 0.7956271877066041
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Energy: 0.8052136113749099
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Energy: 0.7956271877069443
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Energy: 0.7929455419459187
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Energy: 0.861867762254669
Energy: 0.8177922346498635
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Energy: 0.8177922346498635
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Energy: 0.8035860036655582
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Energy: 0.8101660454016294
Energy: 0.8111909900520494
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Energy: 0.8111909900542457
Energy: 0.8017555008202738
Energy: 0.7697783334120951
Energy: 0.7907421753422921
Energy: 0.8496112298050532
Energy: 0.7697783334134564
Energy: 0.7907421753409312
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Energy: 0.7697783334124356
Energy: 0.7907421753450142
Energy: 0.8496112298053935
Energy: 0.7697783334131161
Energy: 0.7857795915047283
Energy: 0.78005128581981
Energy: 0.7928436761291675
Energy: 0.7857795915028724
Energy: 0.7800485417410105
Energy: 0.7928436761291675
Energy: 0.7857795915042335
Energy: 0.7800512858152009
Energy: 0.7928436761269712
Energy: 0.7857795915023466
Energy: 0.834084002675181
Energy: 0.7797387493937378
Energy: 0.8335018439498901
Energy: 0.8340840026717785
Energy: 0.7797368620130899
Energy: 0.8335018439488693
Energy: 0.8340840026715928
Energy: 0.7797387493896855
Energy: 0.8335018439464875
Energy: 0.8340840026709123
Energy: 0.8057369709850839
Energy: 0.7854349553858677
Energy: 0.7744243024798524
Energy: 0.8057369709859501
Energy: 0.7854349553838262
Energy: 0.7744243024829147
Energy: 0.805736970986445
Energy: 0.7854349553836715
Energy: 0.7744243024822343
Energy: 0.8057369709852695
Energy: 0.7805363789094945
Energy: 0.79666943462583
Energy: 0.7999053970672481
Energy: 0.7805363789101749
Energy: 0.7965557452857915
Energy: 0.7999053970669078
Energy: 0.7805363789077931
Energy: 0.7966694346273767
Energy: 0.7999053970687947
Energy: 0.7805363789089685
Energy: 0.8254958512758668
Energy: 0.8116922621032515
Energy: 0.8056246705543567
Energy: 0.825495851275712
Energy: 0.8116868056326136
Energy: 0.8056246705526554
Energy: 0.8254958512751861
Energy: 0.811692262103066
Energy: 0.8056246705548518
Energy: 0.8254958512740107
Energy: 0.8192252048048071
Energy: 0.7685389392602162
Energy: 0.8465060068567412
Energy: 0.8192252048034461
Energy: 0.7685389543135309
Energy: 0.8465060068568957
Energy: 0.8192252048034461
Energy: 0.7685389392557928
Energy: 0.8465060068541737
Energy: 0.8192252048054878

minimum gb energy = 0.766778502715249 eV
minimum distance =  2.47594522247628 Angstroms
sigma value = 165


========================================
theta = 44.41530859719298
========================================

Energy: 0.7359991631065907
Energy: 0.774738975958452
Energy: 0.7746725861707877
Energy: 0.7359991631077588
Energy: 0.7747389759613723
Energy: 0.7746725861690356
Energy: 0.7359991631065907
Energy: 0.7747389759566997
Energy: 0.7746725861707877
Energy: 0.7359991631071748
Energy: 0.7449186223529256
Energy: 0.7386284021406878
Energy: 0.7703293275974775
Energy: 0.7449186223488371
Energy: 0.7386284021412719
Energy: 0.7703293275852121
Energy: 0.7449186223500053
Energy: 0.7386284021406878
Energy: 0.7703293275992297
Energy: 0.7449186223488371
Energy: 0.746983105153703
Energy: 0.7633107217877007
Energy: 0.7163702474793336
Energy: 0.7469831051531189
Energy: 0.7633107217264269
Energy: 0.71637024750036
Energy: 0.746983105153703
Energy: 0.7633107218174879
Energy: 0.7163702474793336
Energy: 0.7469831051531189
Energy: 0.7763748168429613
Energy: 0.7472990345826693
Energy: 0.7390630590579227
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Energy: 0.7390630590602588
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Energy: 0.7390630590585067
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Energy: 0.7527429809426134
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Energy: 0.7527429809408612
Energy: 0.7436305218362259
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Energy: 0.7527429809420294
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Energy: 0.7475175281052703
Energy: 0.7883575327659881
Energy: 0.7756450206041443
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Energy: 0.788357532765404
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Energy: 0.7883575327689084
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Energy: 0.7598055604268138
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Energy: 0.7464175815976544
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Energy: 0.7598055604273979
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Energy: 0.7675331649214295
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Energy: 0.7393660234366429
Energy: 0.767533164924934
Energy: 0.7744602759243426
Energy: 0.7463383209940624
Energy: 0.7598593784993242
Energy: 0.7744602759231745
Energy: 0.7463383209934783
Energy: 0.7598593784999081
Energy: 0.7744602759243426
Energy: 0.7463383209923102
Energy: 0.7598593784987401
Energy: 0.7744602759220064
Energy: 0.747593503419418
Energy: 0.7756600534037071
Energy: 0.7883466289250141
Energy: 0.7475935034176658
Energy: 0.7756600534025391
Energy: 0.788346628884156
Energy: 0.747593503419418
Energy: 0.7756600534031232
Energy: 0.7883466288859081
Energy: 0.7475935034176658
Energy: 0.7437421295346595
Energy: 0.7527816341843588
Energy: 0.7386290205952047
Energy: 0.7437421295358275
Energy: 0.7527816342970303
Energy: 0.7386290205917003
Energy: 0.7437421295352435
Energy: 0.7527816341843588
Energy: 0.738629020596373
Energy: 0.7437421295352435
Energy: 0.7760000039859763
Energy: 0.7394198335180248
Energy: 0.7472080496320599
Energy: 0.7760000039877286
Energy: 0.7394198335186088
Energy: 0.7472080496197944
Energy: 0.7760000039859763
Energy: 0.7394198335174408
Energy: 0.7472080497289615
Energy: 0.7760000039848082
Energy: 0.7450262109640036
Energy: 0.7145997458464971
Energy: 0.7633674615255406
Energy: 0.7450262109657556
Energy: 0.714599784659097
Energy: 0.7633674624257711
Energy: 0.7450262109634196
Energy: 0.7145998082127518
Energy: 0.7633674620591374
Energy: 0.7450262109663398
Energy: 0.7449125734975158
Energy: 0.7703807246527775
Energy: 0.7388195347153278
Energy: 0.7449125860475927
Energy: 0.7703807246708836
Energy: 0.738819534717664
Energy: 0.744912569401519
Energy: 0.770380724606079
Energy: 0.738819534716496
Energy: 0.7449125670808947
Energy: 0.7359991631077588
Energy: 0.7747389759625404
Energy: 0.7746725861707877
Energy: 0.7359991631077588
Energy: 0.7747389759637086
Energy: 0.7746725861696195
Energy: 0.7359991631077588
Energy: 0.7747389759613723
Energy: 0.7746725861702037
Energy: 0.7359991631077588

minimum gb energy = 0.7145997458464971 eV
minimum distance =  2.51166198449534 Angstroms
sigma value = 41


========================================
theta = 52.20027756457278
========================================

Energy: 0.8508317777752779
Energy: 0.6791962426125717
Energy: 0.6789382438488444
Energy: 0.7703933757783967
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Energy: 0.6789382438499569
Energy: 0.8508317777768434
Energy: 0.679196242609399
Energy: 0.6789382438472374
Energy: 0.7703933757783967
Energy: 0.6914313816668894
Energy: 0.6439841757608132
Energy: 0.7046001940701222
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Energy: 0.6439841757619669
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Energy: 0.6439841757624202
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Energy: 0.7671929237247445
Energy: 0.648737814236342
Energy: 0.7033244949416849
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Energy: 0.648737814234076
Energy: 0.703244354561875
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Energy: 0.6487378142354355
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Energy: 0.7671929237165864
Energy: 0.6507704948987932
Energy: 0.6501541929268013
Energy: 0.6849881797076759
Energy: 0.6507704949003589
Energy: 0.6501541929308804
Energy: 0.6849951442940192
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Energy: 0.650154192928161
Energy: 0.6849881797051626
Energy: 0.650770494898546
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Energy: 0.6757098154045407
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Energy: 0.6753096013829434
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Energy: 0.6767070584275895
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Energy: 0.6455279155437511
Energy: 0.699495943969832
Energy: 0.6838268518717437
Energy: 0.645527915541279
Energy: 0.6994959439750235
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Energy: 0.645527915541279
Energy: 0.6994959439745702
Energy: 0.7559477172785833
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Energy: 0.6851223283649738
Energy: 0.7740471451994492
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Energy: 0.6851223283588347
Energy: 0.7559477172729387
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Energy: 0.7038255245353898
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Energy: 0.6934662904351757
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Energy: 0.6652107591122596
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Energy: 0.6652107591120536
Energy: 0.7107602952617348
Energy: 0.6753925665839691
Energy: 0.6652107591106939
Energy: 0.6825136890261335
Energy: 0.6419673462019051
Energy: 0.6589717790721302
Energy: 0.6825136890274931
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Energy: 0.6825136890295532
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Energy: 0.6589717790716769
Energy: 0.6825136890329319
Energy: 0.678359548802114
Energy: 0.6802947559935681
Energy: 0.7973557117876068
Energy: 0.6783595488027733
Energy: 0.6802947559922085
Energy: 0.8239963083042641
Energy: 0.67835954880232
Energy: 0.6802947559951339
Energy: 0.7973557117892136
Energy: 0.6783595488032265
Energy: 0.6453030537834323
Energy: 0.7181943669445102
Energy: 0.6653343279521376
Energy: 0.645303053784586
Energy: 0.6838022961909648
Energy: 0.6765686089382761
Energy: 0.6453030537856983
Energy: 0.7181943669415438
Energy: 0.6653343279458337
Energy: 0.6453030537755214
Energy: 0.6470318877883493
Energy: 0.6913553876492693
Energy: 0.6911257086586451
Energy: 0.6470318877862892
Energy: 0.6913121251404135
Energy: 0.6912963412023166
Energy: 0.6470318877759061
Energy: 0.6913553876458495
Energy: 0.6911257086568323
Energy: 0.6470318877820042
Energy: 0.652102940218456
Energy: 0.6869016115064102
Energy: 0.6510166645605677
Energy: 0.652102940218456
Energy: 0.686872769282361
Energy: 0.6510166645694263
Energy: 0.6521029402168903
Energy: 0.6869016115048445
Energy: 0.6510166645730521
Energy: 0.6521029402175496
Energy: 0.7061928606084957
Energy: 0.6694131554312588
Energy: 0.6652402446841433
Energy: 0.7061928606035104
Energy: 0.6692131552967477
Energy: 0.6652402446818773
Energy: 0.7061928606051172
Energy: 0.6694131554267265
Energy: 0.665240244687316
Energy: 0.706192860606683
Energy: 0.7322737741336194
Energy: 0.6847161752032906
Energy: 0.6768871705164431
Energy: 0.7322737741274804
Energy: 0.6847161752089765
Energy: 0.6768871705148362
Energy: 0.7322737741252141
Energy: 0.6847161752078227
Energy: 0.6768871705180088
Energy: 0.732273774132919

minimum gb energy = 0.6348588434600958 eV
minimum distance =  2.45106866075031 Angstroms
sigma value = 185


========================================
theta = 62.96430821058772
========================================

Energy: 0.5264722810696046
Energy: 0.3319158382354759
Energy: 0.33225721397095476
Energy: 0.24093568306248483
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Energy: 0.4283201512850692
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Energy: 0.38545113890874927
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Energy: 0.3882500633994052
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Energy: 0.3329005299660129
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Energy: 0.34832114892570165
Energy: 0.4663781435157893
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Energy: 0.4663781435149823
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Energy: 0.3319158382330548
Energy: 0.33225721397283775
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Energy: 0.33225721396853375
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Energy: 0.4680225131382345
Energy: 0.32610061908412613
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Energy: 0.3341523955792966
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Energy: 0.33202731790263285
Energy: 0.3882500633994052
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Energy: 0.33314901433171273
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Energy: 0.4296678859406784
Energy: 0.5198380902682118
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Energy: 0.4336144413231658
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Energy: 0.5080321209054307
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Energy: 0.43361444132262783
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Energy: 0.518450596832671
Energy: 0.3845926617185337
Energy: 0.3257884630570348
Energy: 0.5184505968345541
Energy: 0.31267422693656644
Energy: 0.32578846305999387
Energy: 0.518450596834823
Energy: 0.38459266171557466
Energy: 0.32578846305864884
Energy: 0.5184505968342851
Energy: 0.3882500634012882
Energy: 0.41548160851380117
Energy: 0.3320273179042469
Energy: 0.3329005299641299
Energy: 0.4408230196377022
Energy: 0.3320273179037089
Energy: 0.3882500634020952
Energy: 0.4154816085205262
Energy: 0.3320273179088199
Energy: 0.3329005299654749
Energy: 0.31254141102530314
Energy: 0.3130130426996783
Energy: 0.3454721210040448
Energy: 0.3483211489289296
Energy: 0.34910174740374
Energy: 0.34547212100243085
Energy: 0.31254141102611016
Energy: 0.3130130427007543
Energy: 0.3454721210051208
Energy: 0.34832114892354965
Energy: 0.46637814351471324
Energy: 0.5077300496316125
Energy: 0.34254104503197763
Energy: 0.4281658819651838
Energy: 0.5077300496305365
Energy: 0.3425410450287496
Energy: 0.46637814351336826
Energy: 0.5077300496291914
Energy: 0.3425410450306326
Energy: 0.42816588196356975

minimum gb energy = 0.24093568306248483 eV
minimum distance =  2.53351578807683 Angstroms
sigma value = 33


========================================
theta = 69.97282751604145
========================================

Energy: 0.646431417278965
Energy: 0.6199533027249479
Energy: 0.6190643071115934
Energy: 0.6302462474428022
Energy: 0.6199533027234712
Energy: 0.6190643071086398
Energy: 0.6464314172833951
Energy: 0.6199533027234712
Energy: 0.6190643071175003
Energy: 0.6302462474442789
Energy: 0.6604790796704297
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Energy: 0.6180133574658515
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Energy: 0.7187968406544034
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Energy: 0.5927995196064891
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Energy: 0.643266399066582
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Energy: 0.6048171898917334
Energy: 0.6432663990651052
Energy: 0.6130982270229821
Energy: 0.5908688031983022
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Energy: 0.6130982270200555
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Energy: 0.6148300028479337
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Energy: 0.6404713420863235
Energy: 0.6148300028494104

minimum gb energy = 0.5584330704690166 eV
minimum distance =  2.46452726175124 Angstroms
sigma value = 219


========================================
theta = 78.46304096718453
========================================

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Energy: 0.7737247340434787
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Energy: 0.7943610052915817
Energy: 0.7737247340434787
Energy: 0.7793253347833389
Energy: 0.7943610052915817
Energy: 0.7737247340444561

minimum gb energy = 0.7423498019407538 eV
minimum distance =  2.50072901941136 Angstroms
sigma value = 15


========================================
theta = 88.83061719438597
========================================

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minimum gb energy = 0.8443002556699187 eV
minimum distance =  2.48624309806203 Angstroms
sigma value = 293


========================================
theta = 91.16938280561406
========================================

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Energy: 0.8383890201102874
Energy: 0.895529133126472
Energy: 0.8988941841390535
Energy: 0.8383890201100667
Energy: 0.8955291331277966
Energy: 0.8988941841410403
Energy: 0.838389020111612
Energy: 0.9631916693968426
Energy: 0.8402155436302352
Energy: 0.8495624549368911
Energy: 0.963191669399271
Energy: 0.8402155436306767
Energy: 0.8495646017205238
Energy: 0.9631916693988294
Energy: 0.8402155436311182
Energy: 0.8495624549322753
Energy: 0.963191669398167
Energy: 0.8759844004705394
Energy: 0.9457529311216384
Energy: 0.8405523932717519
Energy: 0.8759844004667866
Energy: 0.9457529311234043
Energy: 0.840552393269986
Energy: 0.8759844004676696
Energy: 0.945752931123846
Energy: 0.8405523932702067
Energy: 0.8759844004667866
Energy: 0.8567017428335311
Energy: 0.8585165453373053
Energy: 0.8379253701090028
Energy: 0.8567017428350764
Energy: 0.8585165453386299
Energy: 0.837925370111431
Energy: 0.8567017428346347
Energy: 0.858516545340396
Energy: 0.8379253701085612
Energy: 0.8567017428319857
Energy: 0.9013118387881147
Energy: 0.9118126246777555
Energy: 0.8426322337625921
Energy: 0.8927074554319911
Energy: 0.9118126246781971
Energy: 0.8426322337639167
Energy: 0.9013118387883354
Energy: 0.9118126246759896
Energy: 0.8426322337632545
Energy: 0.8927074554295628
Energy: 0.8683686540570863
Energy: 0.854297651373655
Energy: 0.8592771954452034
Energy: 0.8615878341373264
Energy: 0.8542976513723306
Energy: 0.8592771954471903
Energy: 0.8683686540570863
Energy: 0.8542976513725513
Energy: 0.8592771954478525
Energy: 0.8615878341375472
Energy: 0.8876224846383375
Energy: 0.8426810908111351
Energy: 0.896355662708958
Energy: 0.8876224846378962
Energy: 0.8426810908095898
Energy: 0.8963556627080749
Energy: 0.8876224846374544
Energy: 0.8426810908104728
Energy: 0.8963556627074125
Energy: 0.8876224846374544
Energy: 0.8615089140512818
Energy: 0.8384383294514806
Energy: 0.8636808640747613
Energy: 0.8615089140488534
Energy: 0.8383751646618559
Energy: 0.8636808640745405
Energy: 0.8615089140495158
Energy: 0.838438329450156
Energy: 0.8636808640758651
Energy: 0.8615089140486325
Energy: 0.8738706937821181
Energy: 0.8398724346682243
Energy: 0.91505255783326
Energy: 0.8738706937816767
Energy: 0.8398643694113841
Energy: 0.9150525578312733
Energy: 0.8738706937847672
Energy: 0.839872434671094
Energy: 0.915052557832377
Energy: 0.8738706937843257
Energy: 0.9587074011029031
Energy: 0.8522088779723196
Energy: 0.8514115526077711
Energy: 0.9587074011046691
Energy: 0.8522088779740856
Energy: 0.8514115526093164
Energy: 0.9587074011059935
Energy: 0.8522088779718782
Energy: 0.8514115526073296
Energy: 0.9587074011057728
Energy: 0.837920166062213
Energy: 0.8722347456809544
Energy: 0.8954386794346851
Energy: 0.8379201660604468
Energy: 0.8722347456835835
Energy: 0.8954336826738869
Energy: 0.8379201660626545
Energy: 0.8722347456802921
Energy: 0.8954386794391004
Energy: 0.8379201660602262
Energy: 0.8379350693965707
Energy: 0.8435089142532374
Energy: 0.851754516965452
Energy: 0.8379350693978953
Energy: 0.843508914256328
Energy: 0.851754516966335
Energy: 0.8379350693994405
Energy: 0.8435089142534582
Energy: 0.8517545169656727
Energy: 0.8379350693987784
Energy: 0.9227859996332696
Energy: 0.885906607337752
Energy: 0.8857073950662261
Energy: 0.9227859996361396
Energy: 0.8859066073362066
Energy: 0.8857073950684338
Energy: 0.9227859996310621
Energy: 0.885906607339518
Energy: 0.8857073950699789
Energy: 0.9227859996337112
Energy: 0.8391532419448049
Energy: 0.8589609191047686
Energy: 0.8676799632159693
Energy: 0.8391532419461294
Energy: 0.858960919107859
Energy: 0.8676799632146449
Energy: 0.8391532419430389
Energy: 0.8589609191091837
Energy: 0.8676799632159693
Energy: 0.8391532419461294
Energy: 0.8383890201080798
Energy: 0.8955291331271343
Energy: 0.8988941841375082
Energy: 0.8383890201100667
Energy: 0.8955291331258098
Energy: 0.8988941841390535
Energy: 0.8383890201096251
Energy: 0.8955291331271343
Energy: 0.8988941841414819
Energy: 0.8383890201089629
Energy: 0.9631916693959596
Energy: 0.8402155436302352
Energy: 0.8495648901777911
Energy: 0.9631916693979464
Energy: 0.8402155436304559
Energy: 0.8495448596488894
Energy: 0.9631916693979464
Energy: 0.8402155436306767
Energy: 0.8495648901773495
Energy: 0.9631916693977257
Energy: 0.8759844004714223
Energy: 0.945752931125612
Energy: 0.8405523932704274
Energy: 0.8759844004683319
Energy: 0.945752931125612
Energy: 0.8405523932693237
Energy: 0.875984400468994
Energy: 0.9457529311262742
Energy: 0.8405523932679991
Energy: 0.8759844004674489

minimum gb energy = 0.8379201660591223 eV
minimum distance =  2.46947543564646 Angstroms
sigma value = 293


========================================
theta = 101.5369590328155
========================================

Energy: 0.8375743997419882
Energy: 0.8382045514970276
Energy: 0.8384967889611478
Energy: 0.8375743997423872
Energy: 0.8382045514950326
Energy: 0.8384967889591528
Energy: 0.8375743997415892
Energy: 0.8382045514958305
Energy: 0.8384967889607488
Energy: 0.8375743997419882
Energy: 0.8392691658092928
Energy: 0.8382507172252486
Energy: 0.8402526410294673
Energy: 0.8392691658120857
Energy: 0.8382507172260465
Energy: 0.8402526410310632
Energy: 0.8392691658104897
Energy: 0.8382507172256475
Energy: 0.8402526410306642
Energy: 0.8392691658108887
Energy: 0.8377279863255196
Energy: 0.8370922680452133
Energy: 0.8997150595616284
Energy: 0.8377279863255196
Energy: 0.8370922680440164
Energy: 0.8997150595620275
Energy: 0.8377279863251206
Energy: 0.8370922680452133
Energy: 0.8997150595620275
Energy: 0.8377279863267165
Energy: 0.9003958584532196
Energy: 0.837157366802572
Energy: 0.8377816389115764
Energy: 0.9003958584520408
Energy: 0.8371573668037691
Energy: 0.8377816389111774
Energy: 0.9003958584528206
Energy: 0.8371573668013751
Energy: 0.8377816389127735
Energy: 0.9003958584524399
Energy: 0.8395139147286714
Energy: 0.838033308321022
Energy: 0.8390904996645167
Energy: 0.8395139147326612
Energy: 0.838033308320623
Energy: 0.8390904996637187
Energy: 0.8395139147286714
Energy: 0.838033308321421
Energy: 0.8390904996629207
Energy: 0.8395139147290703
Energy: 0.8382045514942346
Energy: 0.8384967889591528
Energy: 0.8375743997419882
Energy: 0.8382045514974266
Energy: 0.8384967889615468
Energy: 0.8375743997419882
Energy: 0.8382045514958305
Energy: 0.8384967889599507
Energy: 0.8375743997419882
Energy: 0.8382045514958305
Energy: 0.8382507172260465
Energy: 0.8402526410306642
Energy: 0.8392691658108887
Energy: 0.8382507172256475
Energy: 0.8402526410306642
Energy: 0.8392691658136817
Energy: 0.8382507172260465
Energy: 0.8402526410310632
Energy: 0.8392691658104897
Energy: 0.8382507172252486
Energy: 0.8370922680440164
Energy: 0.8997150595628252
Energy: 0.8377279863243227
Energy: 0.8370922680448143
Energy: 0.8997150595608304
Energy: 0.8377279863231256
Energy: 0.8370922680440164
Energy: 0.8997150595632242
Energy: 0.8377279863247216
Energy: 0.8370922680452133
Energy: 0.837157366805764
Energy: 0.8377816389091824
Energy: 0.9003958584540176
Energy: 0.8371573668037691
Energy: 0.8377816389119754
Energy: 0.9003958584536186
Energy: 0.8371573668037691
Energy: 0.8377816389091824
Energy: 0.9003958584532196
Energy: 0.837157366802572
Energy: 0.838033308320623
Energy: 0.8390904996649156
Energy: 0.8395139147298684
Energy: 0.838033308321421
Energy: 0.8390904996641178
Energy: 0.8395139147294693
Energy: 0.838033308320623
Energy: 0.8390904996641178
Energy: 0.8395139147306664
Energy: 0.838033308321421
Energy: 0.8384967889611478
Energy: 0.8375743997419882
Energy: 0.8382045514962295
Energy: 0.8384967889607488
Energy: 0.8375743997419882
Energy: 0.8382045514978256
Energy: 0.8384967889615468
Energy: 0.8375743997423872
Energy: 0.8382045514950326
Energy: 0.8384967889611478
Energy: 0.8402526410298663
Energy: 0.8392691658120857
Energy: 0.8382507172264455
Energy: 0.8402526410290683
Energy: 0.8392691658104897
Energy: 0.8382507172256475
Energy: 0.8402526410314621
Energy: 0.8392691658116866
Energy: 0.8382507172264455
Energy: 0.8402526410298663
Energy: 0.8997150595592344
Energy: 0.8377279863263175
Energy: 0.8370922680444154
Energy: 0.8997150595608304
Energy: 0.8377279863263175
Energy: 0.8370922680448143
Energy: 0.8997150595608304
Energy: 0.8377279863255196
Energy: 0.8370922680444154
Energy: 0.8997150595616284
Energy: 0.8377816389119754
Energy: 0.9003958584524399
Energy: 0.8371573668045671
Energy: 0.8377816389103795
Energy: 0.9003958584524399
Energy: 0.837157366805365
Energy: 0.8377816389115764
Energy: 0.9003958584524399
Energy: 0.837157366805764
Energy: 0.8377816389107784
Energy: 0.8390904996629207
Energy: 0.8395139147302674
Energy: 0.838033308320623
Energy: 0.8390904996629207
Energy: 0.8395139147294693
Energy: 0.838033308321421
Energy: 0.8390904996641178
Energy: 0.8395139147302674
Energy: 0.838033308320623
Energy: 0.8390904996633197
Energy: 0.8375743997419882
Energy: 0.8382045514970276
Energy: 0.8384967889623447
Energy: 0.8375743997427862
Energy: 0.8382045514938355
Energy: 0.8384967889619457
Energy: 0.8375743997415892
Energy: 0.8382045514966285
Energy: 0.8384967889603497
Energy: 0.8375743997415892
Energy: 0.8392691658104897
Energy: 0.8382507172252486
Energy: 0.8402526410306642
Energy: 0.8392691658108887
Energy: 0.8382507172260465
Energy: 0.8402526410314621
Energy: 0.8392691658100908
Energy: 0.8382507172256475
Energy: 0.8402526410314621
Energy: 0.8392691658112877
Energy: 0.8377279863255196
Energy: 0.8370922680444154
Energy: 0.8997150595612294
Energy: 0.8377279863251206
Energy: 0.8370922680444154
Energy: 0.8997150595616284
Energy: 0.8377279863239236
Energy: 0.8370922680456123
Energy: 0.8997150595608304
Energy: 0.8377279863231256
Energy: 0.9003958584528206
Energy: 0.8371573668013751
Energy: 0.8377816389119754
Energy: 0.9003958584536186
Energy: 0.8371573668037691
Energy: 0.8377816389107784
Energy: 0.9003958584536186
Energy: 0.8371573668037691
Energy: 0.8377816389135715
Energy: 0.9003958584528206
Energy: 0.8395139147274745
Energy: 0.838033308321421
Energy: 0.8390904996625217
Energy: 0.8395139147302674
Energy: 0.838033308320623
Energy: 0.8390904996637187
Energy: 0.8395139147298684
Energy: 0.838033308321421
Energy: 0.8390904996653146
Energy: 0.8395139147298684
Energy: 0.8382045514962295
Energy: 0.8384967889591528
Energy: 0.8375743997411902
Energy: 0.8382045514962295
Energy: 0.8384967889631426
Energy: 0.8375743997419882
Energy: 0.8382045514982246
Energy: 0.8384967889587538
Energy: 0.8375743997415892
Energy: 0.8382045514958305
Energy: 0.8382507172264455
Energy: 0.8402526410314621
Energy: 0.8392691658120857
Energy: 0.8382507172252486
Energy: 0.8402526410314621
Energy: 0.8392691658108887
Energy: 0.8382507172260465
Energy: 0.8402526410282702
Energy: 0.8392691658112877
Energy: 0.8382507172256475

minimum gb energy = 0.8370922680440164 eV
minimum distance =  2.49200505356945 Angstroms
sigma value = 15


========================================
theta = 110.02717248395858
========================================

Energy: 0.8658283558520445
Energy: 0.8339108713501401
Energy: 0.8459746879616489
Energy: 0.8516748101323828
Energy: 0.833910871341097
Energy: 0.8459746879526057
Energy: 0.8658283558556619
Energy: 0.83391087157612
Energy: 0.8459746879580315
Energy: 0.8516748101305742
Energy: 0.8470448326318836
Energy: 0.842811028301993
Energy: 0.8382154338672795
Energy: 0.8470448326318836
Energy: 0.842811028301993
Energy: 0.8382154338654709
Energy: 0.847044832630075
Energy: 0.8428110283056103
Energy: 0.8382154338654709
Energy: 0.847044832630075
Energy: 0.8521361823200116
Energy: 0.8523380702169672
Energy: 0.8254699421142195
Energy: 0.8521361823127772
Energy: 0.8523380702205844
Energy: 0.8254699421142195
Energy: 0.8521361823163944
Energy: 0.8523380702205844
Energy: 0.8254699421142195
Energy: 0.8521361823163944
Energy: 0.8237850391951091
Energy: 0.8563915149204063
Energy: 0.8205119377849567
Energy: 0.8237850391951091
Energy: 0.8563915149204063
Energy: 0.8205119377903827
Energy: 0.8237850391987264
Energy: 0.8563915149185978
Energy: 0.8205119377939999
Energy: 0.8237850391969177
Energy: 0.8500799247527709
Energy: 0.8411846517374011
Energy: 0.8895493550763548
Energy: 0.8500799247563882
Energy: 0.8411846517410183
Energy: 0.8895493550709288
Energy: 0.8500799247636227
Energy: 0.8411846517355924
Energy: 0.8895493550763548
Energy: 0.8500799247527709
Energy: 0.8525029920318192
Energy: 0.8979123506688976
Energy: 0.8066149194542669
Energy: 0.8525029920282019
Energy: 0.8979123506707063
Energy: 0.8066149194615014
Energy: 0.8525029920300107
Energy: 0.8979123506688976
Energy: 0.8066149194542669
Energy: 0.8525029920318192
Energy: 0.8494461472098149
Energy: 0.8589957627261713
Energy: 0.8497274158644159
Energy: 0.8494564652259661
Energy: 0.858995762722554
Energy: 0.8497274158644159
Energy: 0.8494461472152409
Energy: 0.8589957627189367
Energy: 0.8497274158662244
Energy: 0.8494564652295835
Energy: 0.8427123897868793
Energy: 0.9056302579341998
Energy: 0.8740777127399637
Energy: 0.8427123897959224
Energy: 0.9056302579287738
Energy: 0.8740777127417725
Energy: 0.8427123897904966
Energy: 0.9056302579360084
Energy: 0.8740777127345379
Energy: 0.8427123897850707
Energy: 0.9460205307095002
Energy: 0.849472319486256
Energy: 0.8507848962437901
Energy: 0.9460205307076917
Energy: 0.849472319486256
Energy: 0.8507848962365555
Energy: 0.9460205307076917
Energy: 0.8494723194880645
Energy: 0.8507848962365555
Energy: 0.9460205307076917
Energy: 0.841708036279778
Energy: 0.8968527262047082
Energy: 0.8512934331680871
Energy: 0.841702184660883
Energy: 0.8968527262047082
Energy: 0.8512934331735129
Energy: 0.8417080362725435
Energy: 0.8968527262065169
Energy: 0.8512934331717044
Energy: 0.8417021846572658
Energy: 0.8588962674074756
Energy: 0.803827950387363
Energy: 0.8732074296272335
Energy: 0.8588962674092842
Energy: 0.8038279503891715
Energy: 0.8732074296218075
Energy: 0.8588962674074756
Energy: 0.803827950387363
Energy: 0.8732074296181903
Energy: 0.8588962674110928
Energy: 0.8712056409835239
Energy: 0.8079632787122712
Energy: 0.9257433260481502
Energy: 0.8712056409835239
Energy: 0.8079654135445126
Energy: 0.9257433260427574
Energy: 0.8712056409799069
Energy: 0.8079632787176971
Energy: 0.9257433260481502
Energy: 0.8712056409799069
Energy: 0.8959596561538048
Energy: 0.8260971670313377
Energy: 0.8842739376904017
Energy: 0.8959596561519961
Energy: 0.8260971670349548
Energy: 0.8842739376867844
Energy: 0.8959596561556132
Energy: 0.8260971670367635
Energy: 0.8842739376849759
Energy: 0.8959596561483788
Energy: 0.8069590019400493
Energy: 0.8050504457838198
Energy: 0.8995777363684667
Energy: 0.8069590019436665
Energy: 0.8050504457838198
Energy: 0.8995777363684667
Energy: 0.8069590019346564
Energy: 0.805050445778394
Energy: 0.8995777363684667
Energy: 0.8069590019400493
Energy: 0.8783179007829883
Energy: 0.9315840311433128
Energy: 0.818076374004068
Energy: 0.8783179007811797
Energy: 0.9315840311415042
Energy: 0.8180755809297588
Energy: 0.8783179007847969
Energy: 0.9315840311433128
Energy: 0.8180763740022593
Energy: 0.8783179007811797
Energy: 0.8266942663156059
Energy: 0.8446257662528186
Energy: 0.9297620321607456
Energy: 0.8266942663174145
Energy: 0.8446257662546272
Energy: 0.9297620321643629
Energy: 0.8266942663210318
Energy: 0.8446257662546272
Energy: 0.9297620321643629
Energy: 0.826694266319223
Energy: 0.857519827029419
Energy: 0.880227482420678
Energy: 0.8757925057111258
Energy: 0.857519827029419
Energy: 0.8802274824170608
Energy: 0.8757925056894551
Energy: 0.8575198270330363
Energy: 0.8802274824170608
Energy: 0.8757925056641345
Energy: 0.8575198270276104
Energy: 0.8977395600948366
Energy: 0.8563990323437644
Energy: 0.8381978943173993
Energy: 0.8977395600912196
Energy: 0.8563990323491902
Energy: 0.8381978943138149
Energy: 0.8977395600857936
Energy: 0.8563990323473817
Energy: 0.8381978943156234
Energy: 0.8977395600857936
Energy: 0.8281629374491246
Energy: 0.8715585048294887
Energy: 0.8609813321822375
Energy: 0.8281629374509332
Energy: 0.87155850482768
Energy: 0.8609813321876634
Energy: 0.8281629374509332
Energy: 0.8715585048294887
Energy: 0.8609813321894719
Energy: 0.8281629374455072
Energy: 0.8860924665289721
Energy: 0.818607517332354
Energy: 0.8493430038807945
Energy: 0.8860924665416323
Energy: 0.8186075173377799
Energy: 0.8493430038753685
Energy: 0.8860924665380151
Energy: 0.818607517332354
Energy: 0.8493430038717513
Energy: 0.8860924665253548
Energy: 0.857854730968403
Energy: 0.8428580856800112
Energy: 0.9592472185184208
Energy: 0.857854730968403
Energy: 0.8428580856818199
Energy: 0.9592472185202293
Energy: 0.8578547309792546
Energy: 0.842858085676394
Energy: 0.9592472185129948
Energy: 0.8578547309738288
Energy: 0.8459045970077333
Energy: 0.868310297544559
Energy: 0.8069166709442838
Energy: 0.8459045970131591
Energy: 0.868310297539133
Energy: 0.8069166709460924
Energy: 0.8459045970113506
Energy: 0.8683102975373245
Energy: 0.8069166709442838
Energy: 0.8459045970185851
Energy: 0.8545397497611804
Energy: 0.8553973424705215
Energy: 0.8507449122138925
Energy: 0.8545542139999656
Energy: 0.8553970164204266
Energy: 0.8507449122120838
Energy: 0.8545397497557545
Energy: 0.8553973424687128
Energy: 0.8507449122138925
Energy: 0.8545542140017742
Energy: 0.8257963042765408
Energy: 0.843615944693425
Energy: 0.8044939941720988
Energy: 0.8257963042873597
Energy: 0.843615944693425
Energy: 0.8044939941648642
Energy: 0.8257963042855512
Energy: 0.843615944693425
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Energy: 0.8257963042801582
Energy: 0.9128848110077882
Energy: 0.8581959231150531
Energy: 0.8597033127655087
Energy: 0.912884811004171
Energy: 0.8581959231150531
Energy: 0.8597033127691258
Energy: 0.9128848110077882
Energy: 0.8581959231132444
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Energy: 0.9128848110095968
Energy: 0.8419922495595481
Energy: 0.8799676773802718
Energy: 0.8593031123089895
Energy: 0.8419899925166069
Energy: 0.8799676773784633
Energy: 0.8593031123035636
Energy: 0.8419922495631654
Energy: 0.879967677383889
Energy: 0.8593031123126067
Energy: 0.8419899925129896
Energy: 0.882170930930508
Energy: 0.8021365241959046
Energy: 0.8795548941775353
Energy: 0.8821709309341252
Energy: 0.802136524194096
Energy: 0.879554894173918
Energy: 0.8821709309341252
Energy: 0.8021365242013305
Energy: 0.8795548941775353
Energy: 0.8821709309377426
Energy: 0.8756269208791788
Energy: 0.9327206871648691
Energy: 0.9518614610622457
Energy: 0.8756269208846048
Energy: 0.9327206871630604
Energy: 0.951861461060437
Energy: 0.875626920882796
Energy: 0.9327206871630604
Energy: 0.9518614610658299
Energy: 0.8756269208809875
Energy: 0.8882198162190057
Energy: 0.8029701646878566
Energy: 0.8657860589897395
Energy: 0.8951287004869329
Energy: 0.802917470328466
Energy: 0.8657860589879308
Energy: 0.8882198162117712
Energy: 0.8029701646932824
Energy: 0.8657860589843136
Energy: 0.8951287004815071
Energy: 0.8477927871513797
Energy: 0.804308634024248
Energy: 0.9275441458064414
Energy: 0.8477927871495712
Energy: 0.804308634024248
Energy: 0.9275441458046328
Energy: 0.8477927871477625
Energy: 0.8043086340188221
Energy: 0.9275441458064414
Energy: 0.8477927871423366
Energy: 0.8424244819549921
Energy: 0.8899245104461623
Energy: 0.8184889687812191
Energy: 0.8424244819513749
Energy: 0.889924510442545
Energy: 0.8187831009891641
Energy: 0.8424244819549921
Energy: 0.8899245104389278
Energy: 0.8184889687794106
Energy: 0.8424244819586093
Energy: 0.8032487746510504
Energy: 0.8838082230850535
Energy: 0.943313254845121
Energy: 0.803248774656476
Energy: 0.8838082230886707
Energy: 0.9433132548415037
Energy: 0.803248774661902
Energy: 0.8838082230868621
Energy: 0.9433132548433124
Energy: 0.8032487746582848
Energy: 0.8640032399617378
Energy: 0.9204492218912549
Energy: 0.8446170550431269
Energy: 0.8469014343053942
Energy: 0.9204492218930636
Energy: 0.844617055037701
Energy: 0.8640032399617378
Energy: 0.9204492218948721
Energy: 0.8446170550340839
Energy: 0.846901434301777
Energy: 0.8649186152830685
Energy: 0.8634823257508851
Energy: 0.9070493915585089
Energy: 0.8467184027319442
Energy: 0.8634823257436506
Energy: 0.9145169774395875
Energy: 0.8649186152776427
Energy: 0.8634823257472678
Energy: 0.9070493915621263
Energy: 0.8467184027319442
Energy: 0.8024762421480772
Energy: 0.8360465943613864
Energy: 0.9102267029881748
Energy: 0.8024762421535031
Energy: 0.8360465943595778
Energy: 0.9102267029845575
Energy: 0.8024762421480772
Energy: 0.8360465943613864
Energy: 0.9102267029791317
Energy: 0.8024762421498859
Energy: 0.9380361255806235
Energy: 0.8187579700483444
Energy: 0.8798223361672406
Energy: 0.938036125573389
Energy: 0.8187579700501529
Energy: 0.8798223361726666
Energy: 0.9380361255697718
Energy: 0.8187579700465357
Energy: 0.8798223361690493
Energy: 0.9380361255751977
Energy: 0.847298459046635
Energy: 0.9343760928193379
Energy: 0.8041155718840386
Energy: 0.8472984590538697
Energy: 0.9343760928175294
Energy: 0.8043273332262781
Energy: 0.8472984590502523
Energy: 0.9343760928193379
Energy: 0.8041155718858471
Energy: 0.8472984590538697
Energy: 0.927592345861067
Energy: 0.8667485178956
Energy: 0.8079959077060871
Energy: 0.9275923458664929
Energy: 0.8667485178956
Energy: 0.8079959076952682
Energy: 0.9275923458719187
Energy: 0.8667485178937913
Energy: 0.8079959076970767
Energy: 0.9275923458719187
Energy: 0.8706386717284834
Energy: 0.9378733230853863
Energy: 0.9220153409763295
Energy: 0.8706386717302919
Energy: 0.937873323081769
Energy: 0.9220153409763295
Energy: 0.8706386717357177
Energy: 0.9378733230799604
Energy: 0.9220153409745209
Energy: 0.8706386717266748
Energy: 0.8087768711843677
Energy: 0.8703113013329192
Energy: 0.8033287838641132
Energy: 0.8087768711861764
Energy: 0.8703113013220675
Energy: 0.8033287838641132
Energy: 0.8087768711843677
Energy: 0.8703113013311107
Energy: 0.8033287838641132
Energy: 0.8087768711861764
Energy: 0.8418201931715928
Energy: 0.8689927204461259
Energy: 0.8589802775175951
Energy: 0.8418201931715928
Energy: 0.8689927204443502
Energy: 0.8589802775194036
Energy: 0.8418201931734015
Energy: 0.8689927204425415
Energy: 0.8589802775175951
Energy: 0.8418201931715928
Energy: 0.8953706387191355
Energy: 0.8452053584014848
Energy: 0.8446826498520161
Energy: 0.8953706387155183
Energy: 0.8452053584051021
Energy: 0.8446826498556333
Energy: 0.8953706387119009
Energy: 0.8452053584014848
Energy: 0.8446826498556333
Energy: 0.8953706387100923
Energy: 0.808576945315015
Energy: 0.8037886104671081
Energy: 0.876360538845994
Energy: 0.8085769453204409
Energy: 0.8037886104689169
Energy: 0.8763605388441854
Energy: 0.8085769453077806
Energy: 0.8037886104652996
Energy: 0.8763605388496112
Energy: 0.808576945315015
Energy: 0.8541318973257377
Energy: 0.9077179841164331
Energy: 0.8544010321006744
Energy: 0.8541318973257377
Energy: 0.9077179841110073
Energy: 0.8544010321061004
Energy: 0.854131897329355
Energy: 0.9077179841091987
Energy: 0.8544010320988658
Energy: 0.8541318973275464
Energy: 0.8372072764382837
Energy: 0.8074033462733885
Energy: 0.8567633252210256
Energy: 0.8372072764419012
Energy: 0.8074009550139828
Energy: 0.8567633251270099
Energy: 0.8372072764419012
Energy: 0.807403346275197
Energy: 0.8567633250818272
Energy: 0.8372072764364752
Energy: 0.8447172995555532
Energy: 0.8252490045000395
Energy: 0.9279788168341637
Energy: 0.8447172995627877
Energy: 0.8252490044946136
Energy: 0.9279788168305464
Energy: 0.8447172995609791
Energy: 0.8252490045018481
Energy: 0.927978816823312
Energy: 0.8447172995591704
Energy: 0.8333087321884868
Energy: 0.8463208540364694
Energy: 0.8182345198192009
Energy: 0.8333087321884868
Energy: 0.8463208540346608
Energy: 0.8182343845126279
Energy: 0.8333087321957211
Energy: 0.8463208540400867
Energy: 0.8182345198192009
Energy: 0.833308732186678
Energy: 0.8027750158048895
Energy: 0.8312609747707473
Energy: 0.8676733720296432
Energy: 0.8027750158030809
Energy: 0.8312609747761732
Energy: 0.8676733720332606
Energy: 0.8027750158139326
Energy: 0.831260974772556
Energy: 0.8676733720332606
Energy: 0.802775015812124
Energy: 0.8465288362110645
Energy: 0.9191603996136607
Energy: 0.8848672299473301
Energy: 0.8465288362074475
Energy: 0.919160399611852
Energy: 0.8848672299509475
Energy: 0.8465288362110645
Energy: 0.9191603996082347
Energy: 0.8848672299491389
Energy: 0.8465288362110645

minimum gb energy = 0.802136524194096 eV
minimum distance =  2.46575689288292 Angstroms
sigma value = 437


========================================
theta = 117.03569178941231
========================================

Energy: 0.8093682252839306
Energy: 0.806397900417096
Energy: 0.806442952301253
Energy: 0.8093682252859072
Energy: 0.806397900417096
Energy: 0.806442952299935
Energy: 0.8093682252839306
Energy: 0.8063979004164372
Energy: 0.8064429523019118
Energy: 0.8093682252859072
Energy: 0.8775025726122292
Energy: 0.7922607494303254
Energy: 0.7922709972640882
Energy: 0.8775025726115703
Energy: 0.7922607494276898
Energy: 0.7922709972673829
Energy: 0.8775025726115703
Energy: 0.7922607494303254
Energy: 0.7922709972634293
Energy: 0.8775025726122292
Energy: 0.9021716410927867
Energy: 0.7885817304996092
Energy: 0.9403382370041071
Energy: 0.9021716410934456
Energy: 0.7885817304996092
Energy: 0.9403382370034482
Energy: 0.9021716410934456
Energy: 0.7885817304989503
Energy: 0.9403382370034482
Energy: 0.9021716410934456
Energy: 0.8697401643735692
Energy: 0.8449711358536228
Energy: 0.8126825224609925
Energy: 0.869740164375546
Energy: 0.8449711358529638
Energy: 0.8126825224583569
Energy: 0.8697401643735692
Energy: 0.8449711358529638
Energy: 0.8126825224616514
Energy: 0.8697401643762049
Energy: 0.8163431719050488
Energy: 0.7912447004839147
Energy: 0.9881883527782508
Energy: 0.8163431719083435
Energy: 0.7912447004832558
Energy: 0.988188352776274
Energy: 0.8163431719057077
Energy: 0.7912447004839147
Energy: 0.9881883527782508
Energy: 0.8163431719090024
Energy: 0.812140374752599
Energy: 0.8809593634087872
Energy: 0.7918048544273221
Energy: 0.812140374753258
Energy: 0.8809593634087872
Energy: 0.7918048544260043
Energy: 0.8121403747519401
Energy: 0.8809593634081283
Energy: 0.7918048544273221
Energy: 0.812140374753258
Energy: 0.8005210440818823
Energy: 0.7990468828549607
Energy: 0.7884064757641618
Energy: 0.8005210440832
Energy: 0.7990468828523251
Energy: 0.788406475761526
Energy: 0.8005210440818823
Energy: 0.7990468828549607
Energy: 0.7884064757667675
Energy: 0.8005210440851768
Energy: 0.8081072773363408
Energy: 0.9051408966528985
Energy: 0.8666500537715688
Energy: 0.808107277334364
Energy: 0.9051408966535575
Energy: 0.8666500541470004
Energy: 0.8081072773369998
Energy: 0.9051408966528985
Energy: 0.8666500540600536
Energy: 0.808107277334364
Energy: 0.937873113903278
Energy: 0.7914486326451
Energy: 0.7922030289497506
Energy: 0.9378731139065726
Energy: 0.7914486326470769
Energy: 0.7922030289484326
Energy: 0.9378731139059137
Energy: 0.7914486326451
Energy: 0.7922030289497506
Energy: 0.9378731139085493
Energy: 0.8158972465928885
Energy: 0.8122138356779781
Energy: 0.8846236397313283
Energy: 0.8158972465942064
Energy: 0.8122138356766604
Energy: 0.8846240619113179
Energy: 0.8158972465928885
Energy: 0.8122138356786371
Energy: 0.8846236751335781
Energy: 0.8158972465928885
Energy: 0.866655037265287
Energy: 0.7878415106477127
Energy: 0.8162741982915453
Energy: 0.8666550372633102
Energy: 0.7878415106477127
Energy: 0.8162741982935221
Energy: 0.866655037265287
Energy: 0.7878415106477127
Energy: 0.8429262618537012
Energy: 0.8666550372626513
Energy: 0.8118071688482523
Energy: 0.7918337229508842
Energy: 0.794621726598097
Energy: 0.8118071688482523
Energy: 0.7918337229522019
Energy: 0.794621726598097
Energy: 0.81180716884957
Energy: 0.7918337229495663
Energy: 0.794621726598097
Energy: 0.81180716884957
Energy: 0.7917887416047562
Energy: 0.9300412881662402
Energy: 0.7919049693983939
Energy: 0.7917887416047562
Energy: 0.9300412881655814
Energy: 0.7919049694003706
Energy: 0.7917887416047562
Energy: 0.9300412881655814
Energy: 0.7919049693983939
Energy: 0.7917887416047562
Energy: 0.8026725156429302
Energy: 0.7979200568528935
Energy: 0.816694202818593
Energy: 0.8026725156462248
Energy: 0.7979200568528935
Energy: 0.8166942028159573
Energy: 0.802672515643589
Energy: 0.7979200568522345
Energy: 0.8166942028172751
Energy: 0.8026725156449069

minimum gb energy = 0.7878415106477127 eV
minimum distance =  2.46391321128668 Angstroms
sigma value = 33