Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.604343503713608
cohesive_energy=4.246784762046966
mass=55.845
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: 0.01868271676085725
Energy: 0.3376581448986539
Energy: 0.3376581448986539
Energy: 0.01868271676085725
Energy: 0.3376581448986539
Energy: 0.3376581448986539
Energy: 0.01868271675940318
Energy: 0.3376581448986539
Energy: 0.3376581448986539
Energy: 0.01868271675940318
Energy: 0.3346116353817071
Energy: 0.022202421237567806
Energy: 0.3345448537209236
Energy: 0.3346116353817071
Energy: 0.022202421239021875
Energy: 0.33454595161950057
Energy: 0.334611635380253
Energy: 0.022202421237567806
Energy: 0.3345440307828157
Energy: 0.3346116353817071
Energy: 0.7674285316767248
Energy: 1.0642942399507302
Energy: 1.064294239936223
Energy: 0.7672453888154568
Energy: 1.0642942399333148
Energy: 1.0642942399449142
Energy: 0.7673895301066093
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Energy: 1.064294239966725
Energy: 0.7673474447648394
Energy: 0.334611635380253
Energy: 0.33454438451892826
Energy: 0.022202421239021875
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Energy: 0.3345444701343888
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Energy: 0.3345443352855763
Energy: 0.022202421239021875
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Energy: 0.01868271676085725
Energy: 0.3376581448986539
Energy: 0.3376581448986539
Energy: 0.01868271676085725
Energy: 0.3376581448986539
Energy: 0.3376581448986539
Energy: 0.01868271676085725
Energy: 0.3376581448986539
Energy: 0.3376581448986539
Energy: 0.01868271676085725
Energy: 0.334611635380253
Energy: 0.022202421237567806
Energy: 0.33454438698827105
Energy: 0.334611635380253
Energy: 0.022202421240475945
Energy: 0.3345462220074787
Energy: 0.334611635380253
Energy: 0.022202421239021875
Energy: 0.3345449170612083
Energy: 0.334611635380253
Energy: 0.7672452378162132
Energy: 1.0642942399289523
Energy: 0.6373018558954263
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Energy: 1.0642942399492763
Energy: 1.0642942399492763
Energy: 0.7672451899025958
Energy: 1.0642942399202278
Energy: 1.0642942399449142
Energy: 0.7672474027760275

minimum gb energy = 0.01868271675940318 eV
minimum distance =  2.27990322541828 Angstroms
sigma value = 3


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

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Energy: -0.45784713225885715
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Energy: 0.6581864166442927

minimum gb energy = -0.7520084066147695 eV
minimum distance =  2.40809192620295 Angstroms
sigma value = 75


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

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minimum gb energy = 0.501367039405462 eV
minimum distance =  2.27254671720923 Angstroms
sigma value = 105


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

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Energy: 0.9669794586350966
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Energy: 0.9249599130780609
Energy: 0.8878280228015077
Energy: 0.8356555540581898
Energy: 0.7735374175292041
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Energy: 0.887828022805429
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Energy: 0.8878280228015077
Energy: 0.8904521625026757
Energy: 0.8255422354852162
Energy: 0.6933343425256184
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Energy: 0.7605695618980961
Energy: 0.7600636513366521
Energy: 0.8600054981461644
Energy: 0.7605399099663428
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Energy: 0.7605399099643821
Energy: 0.9047759978109738
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Energy: 0.680172458519765
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Energy: 0.9047759978129346
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Energy: 0.6991720204961656
Energy: 0.744768481902447
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Energy: 0.6991720204981262
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Energy: 0.8029839931365162
Energy: 0.7580930357300741
Energy: 0.8098113032845882
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Energy: 0.719171154728111
Energy: 0.8168914227328963
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Energy: 0.7580930357300741
Energy: 0.7994226596369383
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Energy: 0.8304234518900988
Energy: 0.7542485472920546
Energy: 0.8078434890271752
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Energy: 0.7474380774318342
Energy: 0.9796078262083555
Energy: 0.6814089877057523
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Energy: 0.9796078262083555
Energy: 0.681408987707713
Energy: 0.7474380774298736
Energy: 0.9796078262083555
Energy: 0.6814089877057523
Energy: 0.7474380774298736
Energy: 0.6925711615591348
Energy: 0.7628005315830207
Energy: 0.7588959274241104
Energy: 0.6925711615571741
Energy: 0.7628005315830207
Energy: 0.7588959274260711
Energy: 0.692571161555249
Energy: 0.7628005315830207
Energy: 0.7588959274241104
Energy: 0.692571161555249
Energy: 0.6798277873236672
Energy: 0.7780783677811772
Energy: 0.8462686008636322
Energy: 0.6798277873256279
Energy: 0.7786801245749196
Energy: 0.8462686008616717
Energy: 0.6798277873217066
Energy: 0.7780783677811772
Energy: 0.8462686008616717
Energy: 0.6798277873256279
Energy: 0.9262497680865729
Energy: 0.7776075616434122
Energy: 0.8656937259800629
Energy: 0.9262497680885337
Energy: 0.7864958265215474
Energy: 0.8656937259781023
Energy: 0.9262497680865729
Energy: 0.7776075616472979
Energy: 0.8656937259781023
Energy: 0.9262497680846123
Energy: 0.7480047285519179
Energy: 0.7385615065917869
Energy: 0.9275792119946675
Energy: 0.7480047285538786
Energy: 0.7385615065917869
Energy: 0.9275792119966281
Energy: 0.7480047285519179
Energy: 0.7385615065898262
Energy: 0.9275792119966281
Energy: 0.7480047285519179
Energy: 0.7839564047053798
Energy: 0.9204295863017561
Energy: 0.8327611324882015
Energy: 0.7839564047034191
Energy: 0.9201437255331534
Energy: 0.8327611324862408
Energy: 0.7839564047053798
Energy: 0.9204295863017561
Energy: 0.8327611324882015
Energy: 0.7839564047053798
Energy: 0.89940370821937
Energy: 0.7930500886436415
Energy: 0.868200837930067
Energy: 0.89940370821937
Energy: 0.7918677691375259
Energy: 0.868200837930067
Energy: 0.89940370821937
Energy: 0.7930500886436415
Energy: 0.8682008379281063
Energy: 0.8994037082213308
Energy: 0.7437118725760493
Energy: 0.8089791398869022
Energy: 0.7490877390745951
Energy: 0.7437118725760493
Energy: 0.8093264547606749
Energy: 0.7490877390706737
Energy: 0.7437118725760493
Energy: 0.8089791398869022
Energy: 0.7490877390706737
Energy: 0.7437118725760493

minimum gb energy = 0.571985671768808 eV
minimum distance =  2.34847076104554 Angstroms
sigma value = 165


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

Energy: 1.0047608470693385
Energy: 0.9122693312559457
Energy: 0.9128109017648999
Energy: 0.9491073619933171
Energy: 0.9122693299096767
Energy: 0.9128109017635535
Energy: 1.0047608470686655
Energy: 0.9122693323667509
Energy: 0.9128109017642267
Energy: 0.9491073619933171
Energy: 0.941894911754833
Energy: 0.9267374859767025
Energy: 0.9386366087585744
Energy: 0.941894911754833
Energy: 0.9267374859767025
Energy: 0.9386366087579011
Energy: 0.9418949117555059
Energy: 0.9267374859780486
Energy: 0.938636608756555
Energy: 0.941894911754833
Energy: 0.8980977982037193
Energy: 0.9125110566871729
Energy: 0.8968451474171506
Energy: 0.8980977982037193
Energy: 0.9125110566864999
Energy: 0.8966794371098289
Energy: 0.898097798202373
Energy: 0.9125110566864999
Energy: 0.8968451474191699
Energy: 0.898097798202373
Energy: 0.914711701007867
Energy: 0.9078723646291201
Energy: 0.9260131527929122
Energy: 0.9147117010071939
Energy: 0.9078723646297934
Energy: 0.9260131527935852
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Energy: 0.9078723646304665
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Energy: 0.914711701007867
Energy: 0.9637557393481935
Energy: 0.9242807170966996
Energy: 0.9010872556747032
Energy: 0.9637557393905377
Energy: 0.9242807170960265
Energy: 0.901087255673357
Energy: 0.9637557393885186
Energy: 0.9242807170966996
Energy: 0.9010872556740301
Energy: 0.9637557393811144
Energy: 0.9320798094792199
Energy: 0.9532335291237946
Energy: 0.920266707074678
Energy: 0.9320798094785466
Energy: 0.9532335291190829
Energy: 0.9202667071561235
Energy: 0.9320798094772005
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Energy: 0.9202667073458164
Energy: 0.9320798094778735
Energy: 0.9137481472914176
Energy: 0.9203515580472983
Energy: 0.9166190092828854
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Energy: 0.9203515580472983
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Energy: 0.920351558045952
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Energy: 1.0204108304691126
Energy: 0.9185241472694361
Energy: 0.9226633202357963
Energy: 1.0204108304684394
Energy: 0.9185241472687629
Energy: 0.9226633202357963
Energy: 1.0204108304704587
Energy: 0.9185241472701092
Energy: 0.9226633202357963
Energy: 1.0204108304691126
Energy: 0.9113037122416089
Energy: 0.9112645875767805
Energy: 0.9202033242417712
Energy: 0.9113037122409359
Energy: 0.9112645875767805
Energy: 0.9201417325118364
Energy: 0.9113037122395897
Energy: 0.9112645875761074
Energy: 0.9202033242491754
Energy: 0.9113037122409359
Energy: 0.9498788476544963
Energy: 0.9158503385633637
Energy: 0.9695925740875391
Energy: 0.9322747104043949
Energy: 0.9158503385633637
Energy: 0.9695925740875391
Energy: 0.9498788476544963
Energy: 0.9158503385633637
Energy: 0.9695925740868659
Energy: 0.9322747104017026
Energy: 0.9627395112467146
Energy: 0.9012805116840222
Energy: 0.9533529477043899
Energy: 0.9009966131055908
Energy: 0.9012805118562756
Energy: 0.9255808740517878
Energy: 0.9627395112453686
Energy: 0.9012805118071391
Energy: 0.9533529477023707
Energy: 0.9009966131076101
Energy: 0.9421308149467528
Energy: 0.926302966761882
Energy: 0.9039896664811642
Energy: 0.9421308149467528
Energy: 0.926302966761882
Energy: 0.9039896664811642
Energy: 0.9421308149454065
Energy: 0.9263029667625551
Energy: 0.9039896664804911
Energy: 0.9421308149474259
Energy: 0.9224007612550791
Energy: 0.8967069240745671
Energy: 0.9144792144977208
Energy: 0.9224007644448577
Energy: 0.8967069240745671
Energy: 0.9144792145037788
Energy: 0.9224007654143723
Energy: 0.896706924073894
Energy: 0.9144792143544109
Energy: 0.9224007657090694
Energy: 0.92062971190108
Energy: 0.946943601549355
Energy: 0.9265615130545152
Energy: 0.9206297119004071
Energy: 0.9469436015008913
Energy: 0.9265615130551883
Energy: 0.92062971190108
Energy: 0.9469436014847369
Energy: 0.9265615130558614
Energy: 0.9206297119004071
Energy: 0.9491073619933171
Energy: 0.9122693208214262
Energy: 0.9128109017648999
Energy: 0.9491073619933171
Energy: 0.9122693303732005
Energy: 0.9128109017635535
Energy: 0.9491073619933171
Energy: 0.9122693205623424
Energy: 0.9128109017648999
Energy: 0.9491073619933171

minimum gb energy = 0.8966794371098289 eV
minimum distance =  2.32499845573057 Angstroms
sigma value = 41


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

Energy: 0.7834338956907212
Energy: 0.7508840980347662
Energy: 0.7906076310913861
Energy: 1.077288637108722
Energy: 0.7508840980373778
Energy: 0.7906076310887745
Energy: 0.7834338956907212
Energy: 0.7508840980321546
Energy: 0.7906076310913861
Energy: 1.077288637108722
Energy: 0.7669075774061958
Energy: 0.6806661120067307
Energy: 0.8050309602605531
Energy: 0.7669075774088074
Energy: 0.6806661120093422
Energy: 0.8050309602631648
Energy: 0.7669075774035842
Energy: 0.6806661120041192
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Energy: 0.7669075774035842
Energy: 0.7338370654463422
Energy: 0.677245264180325
Energy: 0.7248463525958019
Energy: 0.7338370654489537
Energy: 0.6772452641829366
Energy: 0.7252034333094739
Energy: 0.7454052375550323
Energy: 0.677245264180325
Energy: 0.7248463525958019
Energy: 0.7582276626005403
Energy: 0.7366338397931873
Energy: 0.7281344826631276
Energy: 0.6971904640549268
Energy: 0.7366338397931873
Energy: 0.7281344826631276
Energy: 0.6971318059066163
Energy: 0.7366338397905756
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Energy: 0.7366338397957989
Energy: 0.7413421541201554
Energy: 0.8930597847825521
Energy: 0.6986982497869887
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Energy: 0.8930597847799405
Energy: 0.6987394591631222
Energy: 0.7413421541253785
Energy: 0.8930597847825521
Energy: 0.698698249784377
Energy: 0.7413421541253785
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Energy: 0.7766479610165089
Energy: 0.7812639262049141
Energy: 0.7002808591240648
Energy: 0.7766479610191205
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Energy: 0.7766479610191205
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Energy: 0.6990022994163112
Energy: 0.6773351968562186
Energy: 0.7974569093696912
Energy: 0.6990022994136996
Energy: 0.6773351968509954
Energy: 0.7974569093723028
Energy: 0.6990022994163112
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Energy: 0.746105159722839
Energy: 0.7714655533490427
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Energy: 0.7459679924773297
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Energy: 0.7987121112126525
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Energy: 0.7814056392408348
Energy: 0.7792936847014644
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Energy: 0.6936765666470064
Energy: 0.7890591256124161
Energy: 0.7390944405294013
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Energy: 0.7890591256098045
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Energy: 0.6800391142063413
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Energy: 0.6800391142063413
Energy: 0.7212197543323059
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Energy: 0.7191616531267595
Energy: 0.6800391142063413
Energy: 0.693407833397608
Energy: 0.823872003723594
Energy: 0.7755001809632031
Energy: 0.6934078333923849
Energy: 0.8248075554222166
Energy: 0.7755001809684262
Energy: 0.6934078333923849
Energy: 0.8238720037157592
Energy: 0.7755001809658147
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Energy: 0.7935898407124737
Energy: 0.69909055150856
Energy: 0.8067719684665635
Energy: 0.7935898407098622
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Energy: 0.7966843575034945
Energy: 0.7729368831680806
Energy: 0.6940952080200636
Energy: 0.7966843575061062
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Energy: 0.694095208017452
Energy: 0.796684357500883
Energy: 0.6799622715364593
Energy: 0.8042500283949097
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Energy: 0.6799622715416349
Energy: 0.8042500283949097
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Energy: 0.6799622715390233
Energy: 0.6817058932355197
Energy: 0.751060880126452
Energy: 0.7588886935865111
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Energy: 0.7588886935865111
Energy: 0.6817058932355197
Energy: 0.7510608801290637
Energy: 0.7588886935838994
Energy: 0.6817058932355197
Energy: 0.7385981870377959
Energy: 0.7415209293281096
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Energy: 0.7415209293254981
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Energy: 0.7682539614975677
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Energy: 0.7682539615001793
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Energy: 0.7069225580056198
Energy: 0.7682539615027909
Energy: 0.7444973812007382
Energy: 0.7816723011253647
Energy: 0.6771536215743209
Energy: 0.7444973811981266
Energy: 0.7816723011253647
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Energy: 0.7444973812007382
Energy: 0.7816723011279763
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Energy: 0.7444973812007382
Energy: 0.6989224995273268
Energy: 0.8168466621297154
Energy: 0.6805648847203994
Energy: 0.6992159725550868
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Energy: 0.680564884723011
Energy: 0.6989224995247152
Energy: 0.8168466621271038
Energy: 0.6805648847203994
Energy: 0.6992159725524754
Energy: 0.7091028496257562
Energy: 0.7743908876751693
Energy: 0.7894736283356547
Energy: 0.7393930458670108
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Energy: 0.7894736283356547
Energy: 0.7091028496309795
Energy: 0.7743908876725577
Energy: 0.7894736283382663
Energy: 0.7393930458696224
Energy: 0.8023764834535378
Energy: 0.6976355889532017
Energy: 0.7798967687607191
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Energy: 0.7798967687607191
Energy: 0.8023764834509262
Energy: 0.6976355889532017
Energy: 0.7798967687607191
Energy: 0.8023764834509262
Energy: 0.7362065580749546
Energy: 0.860215621467769
Energy: 0.6942049586137607
Energy: 0.7362065580749546
Energy: 0.860215621467769
Energy: 0.6942049586137607
Energy: 0.7362065580775662
Energy: 0.8602156214729922
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Energy: 0.7362065580775662
Energy: 0.721380359694533
Energy: 0.7193880992297069
Energy: 0.6808347877343115
Energy: 0.7213803596997561
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Energy: 0.6808347877369232
Energy: 0.7213803596971445
Energy: 0.7193880992297069
Energy: 0.6808347877369232
Energy: 0.721380359694533
Energy: 0.7574274916262675
Energy: 0.8878749623463403
Energy: 0.6923967703739177
Energy: 0.7574274916236561
Energy: 0.8878749623437288
Energy: 0.6923967703765292
Energy: 0.7574274916262675
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Energy: 0.6923967703791407
Energy: 0.7574274916288791
Energy: 0.7716981214337852
Energy: 0.7764125577568409
Energy: 0.7820459867353186
Energy: 0.7423428090376425
Energy: 0.7764125577594526
Energy: 0.782045986732707
Energy: 0.7716981214285621
Energy: 0.7764125577620642
Energy: 0.7820459867353186
Energy: 0.7423428090350308
Energy: 0.7871709626003792
Energy: 0.677105192339314
Energy: 0.7968277000073435
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Energy: 0.677105192339314
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Energy: 0.7871709625951562
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Energy: 0.7968277000073435
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Energy: 0.7616005161678376
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Energy: 0.7616005161678376
Energy: 0.7533344709829866
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Energy: 0.6989025138985427
Energy: 0.7533344709829866
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Energy: 0.6988989024250399
Energy: 0.7533344709855981
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Energy: 0.7533344709855981
Energy: 0.7104854961827755
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Energy: 0.7400519938074757
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Energy: 0.8849350232018401
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Energy: 0.7104854961801639
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Energy: 0.6969713525497048
Energy: 0.7166633389475898
Energy: 0.7046532641873686
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Energy: 0.7166633389475898
Energy: 0.7046532641899803
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Energy: 0.7166633389449781
Energy: 0.7046532641899803
Energy: 0.6969713525497048
Energy: 0.7184546993144502
Energy: 0.8380793560277444
Energy: 0.7601040525914905
Energy: 0.7184546993144502
Energy: 0.838079356030356
Energy: 0.7601040525914905
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Energy: 0.838079356030356
Energy: 0.7601040525941021
Energy: 0.7184546993092269
Energy: 0.7993590081431234
Energy: 0.6824018393303426
Energy: 0.7460106018217028
Energy: 0.7993590081483466
Energy: 0.682401839327731
Energy: 0.7460106018217028
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Energy: 0.6824018393303426
Energy: 0.7460106018190912
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Energy: 0.7963229034287242
Energy: 0.7893477921943965
Energy: 0.7425718699314567
Energy: 0.7963229034261126
Energy: 0.7893477921970081
Energy: 0.7425718699340683
Energy: 0.796322903423501
Energy: 0.7893477921996197
Energy: 0.74257186993668
Energy: 0.7963229034261126
Energy: 0.6799846681520767
Energy: 0.7802265465775748
Energy: 0.7619199515730898
Energy: 0.6799846681520767
Energy: 0.7464675957130898
Energy: 0.7619199515704781
Energy: 0.6799846681520767
Energy: 0.7802265465827979
Energy: 0.7619199515678665
Energy: 0.6799846681546882
Energy: 0.680825811897327
Energy: 0.720780213775683
Energy: 0.7190951412082136
Energy: 0.6808258118947155
Energy: 0.7209958926739961
Energy: 0.7192007765065297
Energy: 0.680825811897327
Energy: 0.720780213775683
Energy: 0.7190951412082136
Energy: 0.680825811897327
Energy: 0.7015821315438329
Energy: 0.6977384003861469
Energy: 0.7549024583985868
Energy: 0.7015821315412213
Energy: 0.6977323437056463
Energy: 0.7549024584011984
Energy: 0.7015821315438329
Energy: 0.6977384003861469
Energy: 0.7549024583985868
Energy: 0.7015821315438329
Energy: 0.7796944722644603
Energy: 0.6974342882213916
Energy: 0.7865082356244818
Energy: 0.7796944722696836
Energy: 0.6974764830761621
Energy: 0.7865082356218703
Energy: 0.7796944722670719
Energy: 0.6974342882187801
Energy: 0.7865082356192586
Energy: 0.7796944722644603
Energy: 0.7700860856944729
Energy: 0.7815200068309445
Energy: 0.6938361788207128
Energy: 0.7700860856944729
Energy: 0.7815200068257213
Energy: 0.6938361788207128
Energy: 0.7700860856944729
Energy: 0.7815200068283329
Energy: 0.6938361788181013
Energy: 0.7700860856944729

minimum gb energy = 0.677105192339314 eV
minimum distance =  2.33830717261246 Angstroms
sigma value = 185


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

Energy: 0.8974205755005703
Energy: 0.3542089224992226
Energy: 0.3526426624471857
Energy: 0.5293801600738401
Energy: 0.35420892250232267
Energy: 0.3526426624481439
Energy: 0.8974205754993303
Energy: 0.3542089225029428
Energy: 0.3526426624478056
Energy: 0.5293801600738401
Energy: 0.5361449104169642
Energy: 0.35395167621342927
Energy: 0.4355546732824718
Energy: 0.6978247282518972
Energy: 0.35395167621376755
Energy: 0.4457745953460223
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Energy: 0.3539516762112874
Energy: 0.43555467328309183
Energy: 0.6978247282494173
Energy: 0.4607887882378493
Energy: 0.35371739798490437
Energy: 0.511417771719804
Energy: 0.5612201679014278
Energy: 0.35371739798400254
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Energy: 0.46078878823384745
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Energy: 0.5612201678989478
Energy: 0.5725208986956695
Energy: 0.3536421785114246
Energy: 0.6669678573695109
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Energy: 0.61824511716654
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Energy: 0.6669678573673127
Energy: 0.5725208986913858
Energy: 0.37168776791385116
Energy: 0.3589127318614979
Energy: 0.46480699685879767
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Energy: 0.35891273186307615
Energy: 0.37001500441708585
Energy: 0.37168776791604935
Energy: 0.35891273186087785
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Energy: 0.6703808596866413
Energy: 0.5194254869060587
Energy: 0.6291947711197317
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Energy: 0.46625039546211633
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Energy: 0.5194254869048188
Energy: 0.6291947711184918
Energy: 0.6703808596872615
Energy: 0.36432486834114036
Energy: 0.5981895194217516
Energy: 0.5854589001192048
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Energy: 0.615929395411767
Energy: 0.5854589001201066
Energy: 0.36432486834362043
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Energy: 0.7034782922385099
Energy: 0.46870557473240154
Energy: 0.34938181264724455
Energy: 0.703478292238228
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Energy: 0.34938181264910456
Energy: 0.7034782922385099
Energy: 0.4687055747336415
Energy: 0.3493818126487664
Energy: 0.7034782922372698
Energy: 0.43104703229207614
Energy: 0.6495822774593668
Energy: 0.3506055456282506
Energy: 0.45136239576345794
Energy: 0.6170756852327783
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Energy: 0.4310470322926962
Energy: 0.6495822774587467
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Energy: 0.4513623957646979
Energy: 0.5102904123890444
Energy: 0.4715320203990298
Energy: 0.34971068661010346
Energy: 0.4143200477474888
Energy: 0.3701701070800882
Energy: 0.34971068661038535
Energy: 0.5102904123896644
Energy: 0.471532020399368
Energy: 0.34971068661196353
Energy: 0.41432004774658693
Energy: 0.664419387174853
Energy: 0.5897505509798612
Energy: 0.3534453240342807
Energy: 0.664419387174853
Energy: 0.589750550979523
Energy: 0.35344532403552065
Energy: 0.6644193871745149
Energy: 0.5897505509829613
Energy: 0.3534453240367607
Energy: 0.664419387174233
Energy: 0.4087168304926545
Energy: 0.3542089224989408
Energy: 0.3526426624481439
Energy: 0.6602634613560818
Energy: 0.35420892250204083
Energy: 0.35264266244876386
Energy: 0.4087168304926545
Energy: 0.3542089225029428
Energy: 0.3526426624475238
Energy: 0.6602634613551236
Energy: 0.6521309403827545
Energy: 0.3539516762128093
Energy: 0.6253138816320974
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Energy: 0.35395167621404927
Energy: 0.5092377369624488
Energy: 0.6521309403833746
Energy: 0.35395167621190743
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Energy: 0.3537173979846225
Energy: 0.3708064068022366
Energy: 0.41293225315462456
Energy: 0.3537173979846225
Energy: 0.4673011246897405
Energy: 0.5084621263233975
Energy: 0.35371739798428437
Energy: 0.37080640680466026
Energy: 0.4129322531530463
Energy: 0.5725208983694273
Energy: 0.35364217851114277
Energy: 0.6182451171668218
Energy: 0.5725208985032384
Energy: 0.35364217851328467
Energy: 0.666967857368891
Energy: 0.5725208985026184
Energy: 0.35364217851300284
Energy: 0.61824511716778
Energy: 0.572520898406572
Energy: 0.37168776791418934
Energy: 0.35891273186121614
Energy: 0.41345635497638344
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Energy: 0.35891273186245615
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Energy: 0.358912731862118
Energy: 0.4134563549767216
Energy: 0.3716877679166694
Energy: 0.6703808596860215
Energy: 0.4185652120651694
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Energy: 0.6703808596844432
Energy: 0.446422364855473
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Energy: 0.6703808596863032
Energy: 0.4185652120666912
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Energy: 0.36432486834362043
Energy: 0.6397491568600939
Energy: 0.5854589001198248
Energy: 0.36432486834176037
Energy: 0.5981895194211315
Energy: 0.5854589001210084
Energy: 0.36432486834300043
Energy: 0.6397491568600939
Energy: 0.5854589001201066
Energy: 0.36432486834176037
Energy: 0.7034782922363679
Energy: 0.3686870636931704
Energy: 0.3493818126475264
Energy: 0.7034782922366497
Energy: 0.46486374723397844
Energy: 0.34938181264938645
Energy: 0.7034782922372698
Energy: 0.3686870636922685
Energy: 0.3493818126503447
Energy: 0.7034782922372698
Energy: 0.451362395761936
Energy: 0.6170756852315383
Energy: 0.3506055456273487
Energy: 0.3562630453880741
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Energy: 0.3506055456292088
Energy: 0.4513623957646979
Energy: 0.6170756852327783
Energy: 0.3506055456282506
Energy: 0.3562630453893142
Energy: 0.46103461263210277
Energy: 0.4147957779395897
Energy: 0.34971068661010346
Energy: 0.5615415068469503
Energy: 0.5195995916166493
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Energy: 0.4610346126339629
Energy: 0.4147957779402097
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Energy: 0.749154666007736
Energy: 0.5897505509826231
Energy: 0.3534453240352389
Energy: 0.7011625024199759
Energy: 0.589750550979523
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Energy: 0.5897505509879215
Energy: 0.3534453240361407
Energy: 0.7011625024199759
Energy: 0.8974205755002322
Energy: 0.35420892249832076
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Energy: 0.5293801600726001
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Energy: 0.8974205754993303
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Energy: 0.529380160072882
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Energy: 0.6978247282512773
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Energy: 0.4457745953509825
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Energy: 0.6978247282491353
Energy: 0.46078878823722935
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Energy: 0.4607887882347492
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Energy: 0.6669678573685528
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Energy: 0.61824511716592
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Energy: 0.35364217851328467
Energy: 0.666967857368891
Energy: 0.5725208986501263
Energy: 0.3716877679148093
Energy: 0.3589127318614979
Energy: 0.4648069968597559
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Energy: 0.3589127318618361
Energy: 0.3700150044158458
Energy: 0.3716877679148093
Energy: 0.35891273186121614
Energy: 0.46480699685693766
Energy: 0.37168776791542935
Energy: 0.6703808596856833
Energy: 0.5194254869048188
Energy: 0.6291947711187735
Energy: 0.6703808596838232
Energy: 0.4662503954633562
Energy: 0.6194594227681246
Energy: 0.6703808596869233
Energy: 0.5194254869054388
Energy: 0.6291947711193935
Energy: 0.6703808596863032
Energy: 0.36432486834114036
Energy: 0.5981895194232735
Energy: 0.5854589001188666
Energy: 0.3643248683395622
Energy: 0.6159293954105268
Energy: 0.5854589001204448
Energy: 0.3643248683395622
Energy: 0.5981895194217516
Energy: 0.5854589001201066
Energy: 0.3643248683408022
Energy: 0.7034782922378898
Energy: 0.46870557473144336
Energy: 0.3493818126469063
Energy: 0.703478292236988
Energy: 0.413438021759741
Energy: 0.34938181264910456
Energy: 0.7034782922363679
Energy: 0.4687055747339234
Energy: 0.3493818126497246
Energy: 0.7034782922363679
Energy: 0.4310470322926962
Energy: 0.6495822774587467
Energy: 0.3506055456282506
Energy: 0.45136239576317605
Energy: 0.6170756852324402
Energy: 0.3506055456282506
Energy: 0.43104703229173796
Energy: 0.6495822774599868
Energy: 0.3506055456273487
Energy: 0.45136239576531795
Energy: 0.5102904123887626
Energy: 0.471532020399988
Energy: 0.3497106866094835
Energy: 0.41432004774968706
Energy: 0.37017010707980635
Energy: 0.3497106866094835
Energy: 0.5102904123906227
Energy: 0.47153202040060804
Energy: 0.3497106866113435
Energy: 0.41432004774686876
Energy: 0.6644193871751349
Energy: 0.5897505509720828
Energy: 0.35344532403461887
Energy: 0.664419387174853
Energy: 0.5897505509807631
Energy: 0.35344532403399886
Energy: 0.6644193871751349
Energy: 0.589750550979523
Energy: 0.35344532403647894
Energy: 0.664419387175473

minimum gb energy = 0.3493818126469063 eV
minimum distance =  2.33342971862567 Angstroms
sigma value = 33


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

Energy: 0.6608962128377509
Energy: 0.6530210173157781
Energy: 0.6450846404233184
Energy: 0.6426265870615859
Energy: 0.6530210173140761
Energy: 0.6450846404233184
Energy: 0.660896212836049
Energy: 0.6530210173140761
Energy: 0.6450846404216165
Energy: 0.6426265870615859
Energy: 0.6647739315201253
Energy: 0.6659525060657606
Energy: 0.6389653626463028
Energy: 0.664773931523529
Energy: 0.6659525060640588
Energy: 0.6389653626463028
Energy: 0.664773931523529
Energy: 0.6659525060640588
Energy: 0.6389653626446009
Energy: 0.6647739315218273
Energy: 0.5390956664871579
Energy: 0.6655084672580445
Energy: 0.6726828670921643
Energy: 0.539095666485456
Energy: 0.6655084672546407
Energy: 0.6726828670904625
Energy: 0.5451073677331012
Energy: 0.6655084672580445
Energy: 0.6726828670904625
Energy: 0.5579868815569919
Energy: 0.7672007843737769
Energy: 0.6637426069706783
Energy: 0.65181246505686
Energy: 0.7672007843720751
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Energy: 0.6518124650551581
Energy: 0.7672007843703732
Energy: 0.6637426069689765
Energy: 0.65181246505686
Energy: 0.7672007843720751
Energy: 0.6505281971697516
Energy: 0.6385801578738994
Energy: 0.5778821122979094
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Energy: 0.6385801578756013
Energy: 0.5778821122979094
Energy: 0.6505281971731245
Energy: 0.638580157879005
Energy: 0.5778821122996113
Energy: 0.6505281971714535
Energy: 0.7347077066987001
Energy: 0.6730194528156004
Energy: 0.6503924259879099
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Energy: 0.6633585934367279
Energy: 0.6400782884683336
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Energy: 0.6989537468431628
Energy: 0.6614219469747833
Energy: 0.6270898634525445
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Energy: 0.6602808083769446
Energy: 0.5564645191349075
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Energy: 0.6602808083769446
Energy: 0.5564645191383111
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Energy: 0.6602808083752427
Energy: 0.644504772660214
Energy: 0.6655980089478151
Energy: 0.7117867220257055
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Energy: 0.6655980089444115
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Energy: 0.644504772660214
Energy: 0.6631649887950809
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Energy: 0.6697333830580786
Energy: 0.6631649887984846
Energy: 0.6475068852367118
Energy: 0.6697478817701521
Energy: 0.6631649887984846
Energy: 0.6475068852350099
Energy: 0.6697333830563768
Energy: 0.663164988793379
Energy: 0.6646938875780004
Energy: 0.6839787232047319
Energy: 0.7524804526816189
Energy: 0.6646938875762985
Energy: 0.6814755643446058
Energy: 0.7399490550049779
Energy: 0.6646938875780004
Energy: 0.6839787232047319
Energy: 0.7524804526799171
Energy: 0.6646938875797023
Energy: 0.6652954098039244
Energy: 0.6931005891050832
Energy: 0.5666411037234702
Energy: 0.6652954098073282
Energy: 0.693526446222628
Energy: 0.5662421962169628
Energy: 0.6652954098056263
Energy: 0.6931005891050832
Energy: 0.5666411037234702
Energy: 0.6652954098039244
Energy: 0.6645773145247924
Energy: 0.7067192112284827
Energy: 0.6885359681477482
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Energy: 0.6703429391838687
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Energy: 0.6445780646888688
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Energy: 0.6784754972579602
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Energy: 0.6604966630762085
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Energy: 0.6445780646871669
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Energy: 0.6481294917323294
Energy: 0.6655151057036627
Energy: 0.6600100647929582
Energy: 0.6481294917323294
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Energy: 0.6864938836124957
Energy: 0.6603076986818323
Energy: 0.670588905068501
Energy: 0.6864938836158995
Energy: 0.6603076986818323

minimum gb energy = 0.539095666485456 eV
minimum distance =  2.32343063046725 Angstroms
sigma value = 219


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

Energy: 1.0360354198456148
Energy: 0.9307408299254012
Energy: 0.9311104092935775
Energy: 1.0360354198456148
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Energy: 0.9324254479593006
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Energy: 1.0474752044080078
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Energy: 1.0282708830069227
Energy: 0.9634501731020866
Energy: 1.038228078923378
Energy: 1.0282708830069227
Energy: 0.9634501731020866
Energy: 1.038228078923378
Energy: 1.0282708830069227
Energy: 0.9634501731020866
Energy: 1.038228078923378
Energy: 1.028270883008049
Energy: 1.030145925598676
Energy: 0.9873019348992892
Energy: 0.9319872557746396
Energy: 1.0301459255975496
Energy: 0.9873019348992892
Energy: 0.9319872557746396
Energy: 1.030145925598676
Energy: 0.9873019348992892
Energy: 0.9319872557746396
Energy: 1.0301459255975496
Energy: 0.9376093997252122
Energy: 0.9364260513949573
Energy: 0.9439832507469154
Energy: 0.9376093997240859
Energy: 0.9364260513949573
Energy: 0.9439832507469154
Energy: 0.9376093997240859
Energy: 0.9364260513949573
Energy: 0.9439832507469154
Energy: 0.9376093997240859

minimum gb energy = 0.9307408299254012 eV
minimum distance =  2.28527089532193 Angstroms
sigma value = 15


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

Energy: 1.1569780838986206
Energy: 1.1095236343079307
Energy: 1.1346706376863556
Energy: 1.2231263507850298
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Energy: 1.085664370362552
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Energy: 1.1112385298441598
Energy: 1.1063185755501976
Energy: 1.1177201318521062
Energy: 1.084947612706342
Energy: 1.1063185755543519
Energy: 1.117720131850067
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Energy: 1.106318575556467
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Energy: 1.104192100188863
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Energy: 1.2282632409203604
Energy: 1.1041921001867478
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Energy: 1.228263240918321
Energy: 1.104192100188863
Energy: 1.1052168421176003
Energy: 1.2282632409203604
Energy: 1.1041921001847084
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Energy: 1.0792342695851924
Energy: 1.1585954045655948
Energy: 1.0422440860640096
Energy: 1.0792342695851924
Energy: 1.1585954045676343
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Energy: 1.0792342695830772
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Energy: 1.1315907326962584
Energy: 1.0485549026929182
Energy: 1.0725165168572934
Energy: 1.1315907326962584
Energy: 1.0485549026908787
Energy: 1.0725166718691777
Energy: 1.1315907327003374
Energy: 1.0485549026908787
Energy: 1.0725165168593331
Energy: 1.1315907326962584
Energy: 1.1009838939231502
Energy: 1.1234680365813796
Energy: 1.1560683756006245
Energy: 1.1009838939169563
Energy: 1.1234680365751857
Energy: 1.1560683756006245
Energy: 1.1009838939252654
Energy: 1.1234680365751857
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minimum gb energy = 1.0381166559465032 eV
minimum distance =  2.29331158389716 Angstroms
sigma value = 293


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

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Energy: 0.9602175475860214
Energy: 0.9095822261174311
Energy: 0.909492528479759
Energy: 0.9602175475865303
Energy: 1.1003710851673782
Energy: 1.1865373887615178
Energy: 1.132252023655212
Energy: 1.1003710851671007
Energy: 1.1865373887612864
Energy: 1.132252023655212
Energy: 1.1003710851671007
Energy: 1.1865373887612864
Energy: 1.1322520236547033
Energy: 1.1003710851671007
Energy: 1.1219526349139284
Energy: 0.9100938748307247
Energy: 1.1980546901447546
Energy: 1.1219526349139284
Energy: 0.9100938748309559
Energy: 1.1980546901452633
Energy: 1.1219526349139284
Energy: 0.9100938748309559
Energy: 1.1980546901450322
Energy: 1.1219526349141598
Energy: 1.2879822682513025
Energy: 1.1624882420720526
Energy: 1.0995766892710657
Energy: 1.287982268251071
Energy: 1.1624882420718214
Energy: 1.0995766892710657
Energy: 1.2879822682518112
Energy: 1.1624882420718214
Energy: 1.0995766892710657
Energy: 1.2879822682513025
Energy: 1.0018580373686758
Energy: 1.1807305550416611
Energy: 1.090155427020879
Energy: 1.0018580373691848
Energy: 1.1807305550409213
Energy: 1.090155427020648
Energy: 1.0018580373689534
Energy: 1.180730555041939
Energy: 1.090155427020879
Energy: 1.0018580373689534
Energy: 1.1433851428586326
Energy: 1.0055023112030894
Energy: 1.0905463505355475
Energy: 1.143385142857615
Energy: 1.0055023112020718
Energy: 1.090546350535825
Energy: 1.1433851428581239
Energy: 1.0055023112025805
Energy: 1.0905463505355475
Energy: 1.1433851428573838
Energy: 1.0454254605144897
Energy: 1.1871826336717024
Energy: 1.1006022079550306
Energy: 1.045425460515276
Energy: 1.1871826336727203
Energy: 1.1006022079552618
Energy: 1.045425460516525
Energy: 1.1871826336709623
Energy: 1.1006022079550306
Energy: 1.045425460515276
Energy: 1.1132479720595039
Energy: 1.1104219723529951
Energy: 1.110558706203393
Energy: 1.1132479720595039
Energy: 1.1104219723529951
Energy: 1.1105587062036708
Energy: 1.1132479720595039
Energy: 1.1104219723529951
Energy: 1.1105587062031619
Energy: 1.1132479720602437
Energy: 1.045141927911454
Energy: 1.1006506311623512
Energy: 1.186955483474988
Energy: 1.0451419279112224
Energy: 1.1006506311621198
Energy: 1.1869554834752192
Energy: 1.045141927911454
Energy: 1.1006506311621198
Energy: 1.186955483474988
Energy: 1.045141927911454
Energy: 1.1433726821580679
Energy: 1.090551090266909
Energy: 1.0052208849627677
Energy: 1.1433726821588543
Energy: 1.0905510902664004
Energy: 1.0052208849627677
Energy: 1.1433726821580679
Energy: 1.0905510902666775
Energy: 1.0052208849637854
Energy: 1.1433726821588543
Energy: 1.0021421955862664
Energy: 1.0900946229211308
Energy: 1.180678147936339
Energy: 1.0021421955862664
Energy: 1.0900946229211308
Energy: 1.1806781479366166
Energy: 1.0021421955862664
Energy: 1.0900946229211308
Energy: 1.1806781479358301
Energy: 1.0021421955859888
Energy: 1.2878150542929523
Energy: 1.0999018835935985
Energy: 1.1624536470541376
Energy: 1.2878150542932296
Energy: 1.0999018835935985
Energy: 1.1624536470543687
Energy: 1.287815054292721
Energy: 1.0999018835930896
Energy: 1.16245364705386
Energy: 1.2878150542932296
Energy: 1.1220662091160245
Energy: 1.1981112724011334
Energy: 0.9100789651749329
Energy: 1.122066209116256
Energy: 1.1981112724016423
Energy: 0.9100789651741927
Energy: 1.122066209116256
Energy: 1.1981112724016423
Energy: 0.9100789651749329
Energy: 1.1220662091165332
Energy: 1.1003969185902764
Energy: 1.1324404770838605
Energy: 1.1863458582893496
Energy: 1.1003969185905076
Energy: 1.1324404770835832
Energy: 1.186345858288332
Energy: 1.1003969185902764
Energy: 1.1324404770843695
Energy: 1.1863458582891184
Energy: 1.1003969185902764
Energy: 0.9602175475882879
Energy: 0.9095822261362574
Energy: 0.9094925287444837
Energy: 0.9602175475862528
Energy: 0.9095822260889371
Energy: 0.9094925286567355
Energy: 0.9602175475867616
Energy: 0.9095822261245546
Energy: 0.9094925288212692
Energy: 0.960217547585744
Energy: 1.1003710851671007
Energy: 1.1865373887612864
Energy: 1.1322520236547033
Energy: 1.1003710851668695
Energy: 1.1865373887615178
Energy: 1.1322520236547033
Energy: 1.1003710851671007
Energy: 1.1865373887612864
Energy: 1.1322520236547033
Energy: 1.1003710851671007
Energy: 1.1219526349139284
Energy: 0.910093874831465
Energy: 1.1980546901455411
Energy: 1.121952634913651
Energy: 0.9100938748317423
Energy: 1.1980546901452633
Energy: 1.1219526349141598
Energy: 0.910093874831465
Energy: 1.1980546901452633
Energy: 1.121952634913651
Energy: 1.287982268251071
Energy: 1.1624882420715439
Energy: 1.0995766892713432
Energy: 1.2879822682520887
Energy: 1.1624882420720526
Energy: 1.0995766892713432
Energy: 1.2879822682515798
Energy: 1.1624882420715439
Energy: 1.0995766892710657
Energy: 1.2879822682515798
Energy: 1.0018580373689534
Energy: 1.1807305550416611
Energy: 1.0901554270203702
Energy: 1.0018580373691848
Energy: 1.180730555041939
Energy: 1.0901554270211566
Energy: 1.0018580373689534
Energy: 1.1807305550416611
Energy: 1.090155427020648
Energy: 1.0018580373686758

minimum gb energy = 0.9094925281616085 eV
minimum distance =  2.2119568397482 Angstroms
sigma value = 293


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

Energy: 1.1733391817500474
Energy: 1.188518067212484
Energy: 1.1886138075979185
Energy: 1.1733391817495875
Energy: 1.1885180672134037
Energy: 1.1886138075983783
Energy: 1.1733391817560248
Energy: 1.1885180672134037
Energy: 1.1886138075979185
Energy: 1.1733391817574044
Energy: 1.1869530013849452
Energy: 1.1725884629883612
Energy: 1.188812048892233
Energy: 1.1869530013835659
Energy: 1.1725884629906602
Energy: 1.188812048892233
Energy: 1.1869530013844856
Energy: 1.172588462984223
Energy: 1.188812048892233
Energy: 1.1869530013854053
Energy: 1.1865449199647642
Energy: 1.1867900391291384
Energy: 1.1174763370744571
Energy: 1.1865449199643046
Energy: 1.186790039130058
Energy: 1.1174820166678963
Energy: 1.1865449199638447
Energy: 1.186790039130058
Energy: 1.1174698747349772
Energy: 1.1865449199633848
Energy: 1.1175780489230398
Energy: 1.186659745242699
Energy: 1.1864151833159478
Energy: 1.1175856778873487
Energy: 1.1866597452431586
Energy: 1.1864151833159478
Energy: 1.117582022609778
Energy: 1.186659745242699
Energy: 1.1864151833164076
Energy: 1.1175825525146732
Energy: 1.1894627169079561
Energy: 1.1827469040798666
Energy: 1.1878515815770585
Energy: 1.1894627169084162
Energy: 1.1827469041966188
Energy: 1.1878515815765986
Energy: 1.1894627169079561
Energy: 1.1827469042273846
Energy: 1.1878515815775184
Energy: 1.1894627169084162
Energy: 1.1885180672134037
Energy: 1.1886138075983783
Energy: 1.1733391817569445
Energy: 1.1885180672138633
Energy: 1.1886138075974584
Energy: 1.1733391817551053
Energy: 1.1885180672134037
Energy: 1.1886138075988382
Energy: 1.1733391817528063
Energy: 1.1885180672134037
Energy: 1.1725884629902004
Energy: 1.1888120488917733
Energy: 1.1869530013849452
Energy: 1.1725884629860621
Energy: 1.1888120488926928
Energy: 1.1869530013849452
Energy: 1.1725884629924994
Energy: 1.1888120488926928
Energy: 1.1869530013854053
Energy: 1.1725884629902004
Energy: 1.186790039129598
Energy: 1.117482924697214
Energy: 1.1865449199643046
Energy: 1.186790039130058
Energy: 1.1174616847904226
Energy: 1.1865449199643046
Energy: 1.186790039129598
Energy: 1.1174796456352787
Energy: 1.1865449199643046
Energy: 1.186790039130058
Energy: 1.186659745242699
Energy: 1.186415183315488
Energy: 1.1175848955844048
Energy: 1.1866597452422392
Energy: 1.1864151833159478
Energy: 1.1175781142304284
Energy: 1.186659745242699
Energy: 1.1864151833159478
Energy: 1.117581169234503
Energy: 1.186659745242699
Energy: 1.182746904305052
Energy: 1.1878515815765986
Energy: 1.1894627169079561
Energy: 1.182746904208114
Energy: 1.187851581577978
Energy: 1.189462716908876
Energy: 1.1827469042342817
Energy: 1.1878515815770585
Energy: 1.1894627169074965
Energy: 1.1827469042462373
Energy: 1.1886138075979185
Energy: 1.173339181753266
Energy: 1.188518067215243
Energy: 1.1886138075983783
Energy: 1.1733391817560248
Energy: 1.1885180672134037
Energy: 1.1886138075983783
Energy: 1.1733391817551053
Energy: 1.1885180672138633
Energy: 1.1886138075983783
Energy: 1.1888120488926928
Energy: 1.1869530013854053
Energy: 1.1725884629856023
Energy: 1.1888120488917733
Energy: 1.1869530013849452
Energy: 1.1725884629860621
Energy: 1.1888120488926928
Energy: 1.1869530013849452
Energy: 1.1725884629823835
Energy: 1.1888120488917733
Energy: 1.1174852965097657
Energy: 1.1865449199638447
Energy: 1.186790039129598
Energy: 1.117487093608868
Energy: 1.1865449199643046
Energy: 1.186790039130518
Energy: 1.1174622037693418
Energy: 1.1865449199638447
Energy: 1.186790039130058
Energy: 1.1174685703653968
Energy: 1.186415183315488
Energy: 1.1175752295145687
Energy: 1.1866597452431586
Energy: 1.186415183315488
Energy: 1.1175754088483567
Energy: 1.186659745242699
Energy: 1.186415183315488
Energy: 1.1175692925596432
Energy: 1.186659745242699
Energy: 1.1864151833159478
Energy: 1.1878515815770585
Energy: 1.1894627169084162
Energy: 1.1827469040600946
Energy: 1.1878515815770585
Energy: 1.1894627169074965
Energy: 1.1827469042278445
Energy: 1.1878515815770585
Energy: 1.1894627169084162
Energy: 1.1827469042549736
Energy: 1.1878515815765986
Energy: 1.1733391817592438
Energy: 1.1885180672134037
Energy: 1.1886138075983783
Energy: 1.1733391817500474
Energy: 1.1885180672134037
Energy: 1.1886138075983783
Energy: 1.1733391817500474
Energy: 1.1885180672129438
Energy: 1.1886138075983783
Energy: 1.1733391817551053
Energy: 1.1869530013844856
Energy: 1.1725884629805443
Energy: 1.1888120488936125
Energy: 1.1869530013854053
Energy: 1.1725884629869814
Energy: 1.1888120488908536
Energy: 1.1869530013844856
Energy: 1.17258846299112
Energy: 1.1888120488936125
Energy: 1.1869530013854053
Energy: 1.1865449199638447
Energy: 1.186790039130518
Energy: 1.1174767698409247
Energy: 1.1865449199638447
Energy: 1.1867900391291384
Energy: 1.1174688246023812
Energy: 1.1865449199643046
Energy: 1.186790039130058
Energy: 1.1174806606662364
Energy: 1.1865449199638447
Energy: 1.117571367626037
Energy: 1.1866597452422392
Energy: 1.1864151833159478
Energy: 1.1175767050115304
Energy: 1.1866597452431586
Energy: 1.186415183315488
Energy: 1.1175820110344137
Energy: 1.1866597452422392
Energy: 1.1864151833164076
Energy: 1.1175814179428079
Energy: 1.1894627169079561
Energy: 1.1827469044047907
Energy: 1.1878515815770585
Energy: 1.189462716909336
Energy: 1.1827469042209473
Energy: 1.1878515815775184
Energy: 1.1894627169074965
Energy: 1.1827469043271233
Energy: 1.1878515815775184
Energy: 1.1894627169084162
Energy: 1.1885180672138633
Energy: 1.1886138075988382
Energy: 1.1733391817537258
Energy: 1.1885180672129438
Energy: 1.1886138075979185
Energy: 1.173339181753266
Energy: 1.1885180672134037
Energy: 1.1886138075988382
Energy: 1.1733391817514267
Energy: 1.188518067212484
Energy: 1.172588462983763
Energy: 1.1888120488917733
Energy: 1.1869530013849452
Energy: 1.1725884629879013
Energy: 1.1888120488926928
Energy: 1.1869530013844856
Energy: 1.1725884629897405
Energy: 1.1888120488917733
Energy: 1.1869530013854053
Energy: 1.1725884629800845

minimum gb energy = 1.1174616847904226 eV
minimum distance =  2.34048150117667 Angstroms
sigma value = 15


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

Energy: 1.1095283700383045
Energy: 1.118233733400245
Energy: 1.1179801423143865
Energy: 1.1095283700383045
Energy: 1.1182337333981607
Energy: 1.117980142312302
Energy: 1.1095283700383045
Energy: 1.1182337333981607
Energy: 1.1179801423102178
Energy: 1.1095283700383045
Energy: 1.1176806388861837
Energy: 1.0694635074712076
Energy: 1.063841251202104
Energy: 1.1176806388861837
Energy: 1.0694635074712076
Energy: 1.063841251202104
Energy: 1.1176806388861837
Energy: 1.0694635074712076
Energy: 1.063841251202104
Energy: 1.1176806388861837
Energy: 1.1596442791549653
Energy: 1.0945957628633272
Energy: 1.0446219049343397
Energy: 1.1596442791549653
Energy: 1.0945957628633272
Energy: 1.0446219049343397
Energy: 1.1596442791549653
Energy: 1.0945957628633272
Energy: 1.0446219049343397
Energy: 1.159644279152881
Energy: 1.069015065556516
Energy: 1.09426881890617
Energy: 1.0704382333817626
Energy: 1.069015065556516
Energy: 1.09426881890617
Energy: 1.0704382333817626
Energy: 1.0690150655586004
Energy: 1.09426881890617
Energy: 1.0704382333817626
Energy: 1.069015065556516
Energy: 1.1388596138628226
Energy: 1.0706738264254978
Energy: 1.1578910440358074
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Energy: 1.1578910440358074
Energy: 1.1388596138628226
Energy: 1.0706738264254978
Energy: 1.1578910440358074
Energy: 1.1388596138628226
Energy: 1.1104669515755754
Energy: 1.09665811280608
Energy: 1.0599371313751451
Energy: 1.1104669515734908
Energy: 1.09665811280608
Energy: 1.0599371313751451
Energy: 1.1104669515755754
Energy: 1.09665811280608
Energy: 1.0599371313751451
Energy: 1.1104669515734908
Energy: 1.071239972252641
Energy: 1.168713513428009
Energy: 1.118215331936595
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Energy: 1.118215331936595
Energy: 1.071239972252641
Energy: 1.168713513428009
Energy: 1.118215331936595
Energy: 1.0712399722547252
Energy: 1.0818194446313616
Energy: 1.1540048757370904
Energy: 1.151904192488405
Energy: 1.0818194446313616
Energy: 1.1540048757391748
Energy: 1.151904192488405
Energy: 1.0818194446313616
Energy: 1.1540048757370904
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Energy: 1.0818194446313616
Energy: 1.2882793932917036
Energy: 1.0835307673314811
Energy: 1.0925424109173696
Energy: 1.2882793932896193
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Energy: 1.0925424109173696
Energy: 1.2882793932917036
Energy: 1.0835307673314811
Energy: 1.0925424109173696
Energy: 1.2882793932917036
Energy: 1.0696391965831646
Energy: 1.1195520471832725
Energy: 1.0952697675854135
Energy: 1.06963919658108
Energy: 1.1195520471853568
Energy: 1.0952697675812448
Energy: 1.0696391965831646
Energy: 1.1195520471874414
Energy: 1.0952697675874978
Energy: 1.0696391965831646
Energy: 1.0927884120199463
Energy: 1.0607735656858797
Energy: 1.1305607646479434
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Energy: 1.0607735656858797
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Energy: 1.0927884120199463
Energy: 1.0607735656858797
Energy: 1.1305607646479434
Energy: 1.0927884120199463
Energy: 1.0647377125049224
Energy: 1.0578874194448684
Energy: 1.080025474973151
Energy: 1.064737712502838
Energy: 1.0578874194448684
Energy: 1.0800254749752356
Energy: 1.064737712502838
Energy: 1.0578874194448684
Energy: 1.080025474973151
Energy: 1.064737712502838
Energy: 1.1807524533477247
Energy: 1.081923945029642
Energy: 1.1679147971058375
Energy: 1.1807524533477247
Energy: 1.0819239450275577
Energy: 1.1679147971058375
Energy: 1.1807524533477247
Energy: 1.081923945029642
Energy: 1.1679147971037531
Energy: 1.1807524533477247
Energy: 1.0634868381242635
Energy: 1.0644205882659012
Energy: 1.180809979000866
Energy: 1.0634868381242635
Energy: 1.0644205882659012
Energy: 1.180809978996697
Energy: 1.0634868381242635
Energy: 1.0644205882659012
Energy: 1.1808099789987814
Energy: 1.0634868381242635
Energy: 1.1469289332962258
Energy: 1.1509876593870256
Energy: 1.0766472191928043
Energy: 1.1469289332962258
Energy: 1.15098765938911
Energy: 1.0766472191928043
Energy: 1.1469289332962258
Energy: 1.15098765938911
Energy: 1.07664721919072
Energy: 1.1469289332941415
Energy: 1.069603146850283
Energy: 1.1628827176414827
Energy: 1.097702155335466
Energy: 1.0696031468481986
Energy: 1.1628827176393983
Energy: 1.0977021553375503
Energy: 1.0696031468481986
Energy: 1.1628827176414827
Energy: 1.0977021553375503
Energy: 1.0696031468481986
Energy: 1.1065798346570215
Energy: 1.0753203288410198
Energy: 1.2175279538577477
Energy: 1.1065798346570215
Energy: 1.0753203288410198
Energy: 1.2175279538514947
Energy: 1.106579834659106
Energy: 1.0753203288410198
Energy: 1.2175279538640007
Energy: 1.1065798346570215
Energy: 1.2220547992640127
Energy: 1.0700697328168465
Energy: 1.0649525675799953
Energy: 1.2220547992640127
Energy: 1.0700697328168465
Energy: 1.0649525675799953
Energy: 1.222054799266097
Energy: 1.0700697328168465
Energy: 1.0649525675799953
Energy: 1.2220547992640127
Energy: 1.0709273702411224
Energy: 1.1788842518866611
Energy: 1.0876390153144473
Energy: 1.0709273702411224
Energy: 1.1788842518866611
Energy: 1.0876390153144473
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Energy: 1.1788842518866611
Energy: 1.0876390153144473
Energy: 1.0709273702411224
Energy: 1.1146736627546077
Energy: 1.0758721439188714
Energy: 1.1216698213487184
Energy: 1.1146736627546077
Energy: 1.0758721439188714
Energy: 1.1216698213487184
Energy: 1.1146736627546077
Energy: 1.0758721439188714
Energy: 1.1216698213487184
Energy: 1.1146736627566922
Energy: 1.1176411195697629
Energy: 1.0690814845396646
Energy: 1.102564705158711
Energy: 1.1176411195697629
Energy: 1.0690814845396646
Energy: 1.102564705158711
Energy: 1.1176411195697629
Energy: 1.0690814845396646
Energy: 1.102564705158711
Energy: 1.1176411195697629
Energy: 1.088298614617942
Energy: 1.2136801277642861
Energy: 1.0597427748498252
Energy: 1.0882986146158578
Energy: 1.2136801277642861
Energy: 1.0597427748498252
Energy: 1.0882986146158578
Energy: 1.2136801277642861
Energy: 1.0597427748498252
Energy: 1.0882986146137734
Energy: 1.0705413510275124
Energy: 1.0631729636923677
Energy: 1.0893535298974197
Energy: 1.0705413510275124
Energy: 1.0631729636923677
Energy: 1.0893535298974197
Energy: 1.0705413510275124
Energy: 1.0631729636923677
Energy: 1.0893535298974197
Energy: 1.0705413510275124
Energy: 1.0735278923463933
Energy: 1.1100678911759236
Energy: 1.0613973602677398
Energy: 1.0735278923443088
Energy: 1.1100678911759236
Energy: 1.0613973602677398
Energy: 1.0735278923443088
Energy: 1.1100678911759236
Energy: 1.0613973602698241
Energy: 1.0735278923443088
Energy: 1.1456144474544425
Energy: 1.0826875361721544
Energy: 1.0815638371497687
Energy: 1.1456144474544425
Energy: 1.0826875361721544
Energy: 1.0815638371497687
Energy: 1.1456144474544425
Energy: 1.0826875361721544
Energy: 1.0815638371497687
Energy: 1.1456144474544425
Energy: 1.0697137693450067
Energy: 1.1007813022243287
Energy: 1.1196011998568896
Energy: 1.0697137693450067
Energy: 1.1007813022243287
Energy: 1.1196011998568896
Energy: 1.0697137693450067
Energy: 1.1007813022243287
Energy: 1.1196011998568896
Energy: 1.0697137693450067
Energy: 1.1450628621189438
Energy: 1.0575342688405662
Energy: 1.1358238890628225
Energy: 1.145062862121028
Energy: 1.0575342688405662
Energy: 1.1358238890628225
Energy: 1.1450628621231125
Energy: 1.057534268838482
Energy: 1.1358238890586536
Energy: 1.1450628621189438
Energy: 1.176111662485895
Energy: 1.1680881079626921
Energy: 1.0883521363309019
Energy: 1.176111662485895
Energy: 1.1680881079626921
Energy: 1.0883521363329864
Energy: 1.176111662485895
Energy: 1.1680881079626921
Energy: 1.0883521363309019
Energy: 1.176111662485895
Energy: 1.1446954831061977
Energy: 1.0575770582452138
Energy: 1.118971558542266
Energy: 1.1446954831041134
Energy: 1.0575770582452138
Energy: 1.118971558542266
Energy: 1.1446954831061977
Energy: 1.0575770582452138
Energy: 1.118971558542266
Energy: 1.1446954831041134
Energy: 1.0825214752937304
Energy: 1.0644982700326493
Energy: 1.190888778262653
Energy: 1.0825214752937304
Energy: 1.0644982700326493
Energy: 1.1908887782647373
Energy: 1.0825214752937304
Energy: 1.0644982700347336
Energy: 1.190888778260569
Energy: 1.082521475291646
Energy: 1.167278187501543
Energy: 1.0877369763874452
Energy: 1.0801065840961084
Energy: 1.1672781874994587
Energy: 1.0877369763895295
Energy: 1.0801065840961084
Energy: 1.167278187501543
Energy: 1.0877369763916138
Energy: 1.0801065840981927
Energy: 1.167278187501543
Energy: 1.086703721697398
Energy: 1.1683283945697307
Energy: 1.081369095889082
Energy: 1.086703721697398
Energy: 1.1683283945697307
Energy: 1.0813690958911666
Energy: 1.086703721697398
Energy: 1.1683283945697307
Energy: 1.0813690958911666
Energy: 1.086703721697398
Energy: 1.106135354159432
Energy: 1.2054879054766525
Energy: 1.1446089146841996
Energy: 1.1061353541615164
Energy: 1.2054879054766525
Energy: 1.1446089146841996
Energy: 1.1061353541615164
Energy: 1.2054879054766525
Energy: 1.1446089146841996
Energy: 1.1061353541615164
Energy: 1.104133175113209
Energy: 1.1234966797832677
Energy: 1.0918246594231031
Energy: 1.104133175113209
Energy: 1.1234966797832677
Energy: 1.0918246594231031
Energy: 1.104133175113209
Energy: 1.1234966797832677
Energy: 1.0918246594231031
Energy: 1.104133175113209
Energy: 1.0667929213248093
Energy: 1.235703271338369
Energy: 1.151901440583851
Energy: 1.0667929213248093
Energy: 1.235703271338369
Energy: 1.151901440583851
Energy: 1.0667929213248093
Energy: 1.235703271338369
Energy: 1.151901440583851
Energy: 1.0667929213248093
Energy: 1.1226611175011512
Energy: 1.0816381853668204
Energy: 1.0873174195667261
Energy: 1.1226611175011512
Energy: 1.0816381853668204
Energy: 1.0873174195667261
Energy: 1.1226611175011512
Energy: 1.0816381853668204
Energy: 1.0873174195646416
Energy: 1.1226611175011512
Energy: 1.108874960262757
Energy: 1.208703077962372
Energy: 1.0636552798125536
Energy: 1.108874960262757
Energy: 1.2087030779602879
Energy: 1.0636552798125536
Energy: 1.108874960262757
Energy: 1.208703077962372
Energy: 1.0636552798125536
Energy: 1.108874960262757
Energy: 1.125018461200968
Energy: 1.1429044620159474
Energy: 1.058048970018134
Energy: 1.125018461200968
Energy: 1.1429044620159474
Energy: 1.058048970018134
Energy: 1.125018461200968
Energy: 1.1429044620159474
Energy: 1.058048970018134
Energy: 1.125018461200968
Energy: 1.0850118044325758
Energy: 1.0870783712088452
Energy: 1.1689627229292265
Energy: 1.0850118044325758
Energy: 1.0870783712088452
Energy: 1.1689627229292265
Energy: 1.0850118044325758
Energy: 1.0870783712088452
Energy: 1.1689627229292265
Energy: 1.0850118044325758
Energy: 1.15718243825596
Energy: 1.0956620951495746
Energy: 1.0897664703281498
Energy: 1.1571824382893094
Energy: 1.0956620951495746
Energy: 1.089766470330234
Energy: 1.157182438274719
Energy: 1.0956620951474902
Energy: 1.0897664703281498
Energy: 1.157182438274719
Energy: 1.0688231216356727
Energy: 1.1820189754936536
Energy: 1.0940095838547903
Energy: 1.0688231216356727
Energy: 1.1820189754936536
Energy: 1.0940095838527064
Energy: 1.0688231216356727
Energy: 1.1820189754936536
Energy: 1.0940095838527064
Energy: 1.0688231216356727
Energy: 1.0909531092627713
Energy: 1.1066343994661636
Energy: 1.1160240757626916
Energy: 1.0909531092627713
Energy: 1.1066343994661636
Energy: 1.1160240757626916
Energy: 1.0909531092627713
Energy: 1.1066343994661636
Energy: 1.1160240757626916
Energy: 1.0909531092627713
Energy: 1.1792917838882497
Energy: 1.061504272522558
Energy: 1.0870140215012456
Energy: 1.1792917838882497
Energy: 1.061504272522558
Energy: 1.0870140215012456
Energy: 1.1792917838861654
Energy: 1.061504272522558
Energy: 1.0870140215012456
Energy: 1.1792917838882497
Energy: 1.0647515233772942
Energy: 1.2905192766839129
Energy: 1.0644820393773897
Energy: 1.0647515233772942
Energy: 1.2905192766859974
Energy: 1.0644820393773897
Energy: 1.0647515233772942
Energy: 1.2905192766839129
Energy: 1.0644820393773897
Energy: 1.0647515233772942
Energy: 1.1059944153203298
Energy: 1.0578241228104186
Energy: 1.213890297952467
Energy: 1.1059944153203298
Energy: 1.0578241228125027
Energy: 1.213890297933708
Energy: 1.1059944153203298
Energy: 1.0578241228104186
Energy: 1.213890297933708
Energy: 1.1059944153203298
Energy: 1.1091785823787346
Energy: 1.0692586848778078
Energy: 1.0986551111795875
Energy: 1.1091785823787346
Energy: 1.069258684879892
Energy: 1.0986551111795875
Energy: 1.1091785823787346
Energy: 1.0692586848778078
Energy: 1.0986551111795875
Energy: 1.1091785823787346
Energy: 1.1107457336010036
Energy: 1.112073866171905
Energy: 1.0766535750854633
Energy: 1.1107457336010036
Energy: 1.112073866171905
Energy: 1.0766535750854633
Energy: 1.1107457336010036
Energy: 1.112073866171905
Energy: 1.0766535750854633
Energy: 1.1107457336010036
Energy: 1.0630407524971102
Energy: 1.073247377454771
Energy: 1.1610854489553442
Energy: 1.0630407524971102
Energy: 1.073247377454771
Energy: 1.1610854489573907
Energy: 1.0630407524971102
Energy: 1.073247377454771
Energy: 1.1610854489573907
Energy: 1.0630407524971102
Energy: 1.103993540968191
Energy: 1.0904244726372827
Energy: 1.040284068605958
Energy: 1.1039935409661066
Energy: 1.0904244726372827
Energy: 1.040284068605958
Energy: 1.1039935409661066
Energy: 1.0904244726372827
Energy: 1.040284068605958
Energy: 1.1039935409661066

minimum gb energy = 1.040284068605958 eV
minimum distance =  2.25873449092091 Angstroms
sigma value = 437


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

Energy: 0.9942120459895071
Energy: 1.0642836947436312
Energy: 1.0635660744052742
Energy: 0.9942120459895071
Energy: 1.0642836947436312
Energy: 1.0635660744060333
Energy: 0.9942120459895071
Energy: 1.0642836947436312
Energy: 1.0635660744060333
Energy: 0.9942120459895071
Energy: 1.108838509841058
Energy: 0.9744911983106631
Energy: 0.9868359078051635
Energy: 1.1088385098418174
Energy: 0.9744911983099036
Energy: 0.9868359078051635
Energy: 1.1088385098418174
Energy: 0.9744911983106631
Energy: 0.9868359078051635
Energy: 1.1088385098418174
Energy: 1.0393596972162946
Energy: 0.9641130065507693
Energy: 1.1118070249521574
Energy: 1.039359697217054
Energy: 0.9641130065492505
Energy: 1.1118070249521574
Energy: 1.0393596972162946
Energy: 0.9641130065507693
Energy: 1.1118070249521574
Energy: 1.0393596972178134
Energy: 1.0858691395080362
Energy: 1.04131892882326
Energy: 0.9746378301379113
Energy: 1.0858691395080362
Energy: 1.0413189288225009
Energy: 0.9746378301386706
Energy: 1.0858691395080362
Energy: 1.04131892882326
Energy: 0.9746378301386706
Energy: 1.0858691395072768
Energy: 1.02351657445587
Energy: 0.9703909929238222
Energy: 1.138296039799056
Energy: 1.0235165744566295
Energy: 0.9703909929230629
Energy: 1.1382960397975375
Energy: 1.02351657445587
Energy: 0.9703909929230629
Energy: 1.1382960397975375
Energy: 1.02351657445587
Energy: 0.9835850703401886
Energy: 1.119723770379068
Energy: 0.9742422543918889
Energy: 0.9835850703401886
Energy: 1.119723770380587
Energy: 0.9742422543926483
Energy: 0.9835850703394292
Energy: 1.1197237703798275
Energy: 0.9742422543918889
Energy: 0.9835850703401886
Energy: 1.0061424624019284
Energy: 0.9860573712231819
Energy: 0.9640724152390829
Energy: 1.0061424621317328
Energy: 0.9860573712239412
Energy: 0.9640724152398423
Energy: 1.0061424623731416
Energy: 0.9860573712231819
Energy: 0.9640724152398423
Energy: 1.0061424620566248
Energy: 0.9762427692418116
Energy: 1.1639748360118394
Energy: 1.0871285928757881
Energy: 0.976242769240293
Energy: 1.1639748360103206
Energy: 1.087128592875029
Energy: 0.9762427692418116
Energy: 1.1639748360118394
Energy: 1.0871285928757881
Energy: 0.976242769240293
Energy: 1.1862405282877624
Energy: 0.9698222634866267
Energy: 0.9979156233670856
Energy: 1.1862405282877624
Energy: 0.9698222634851769
Energy: 0.9979156233663263
Energy: 1.1862405282877624
Energy: 0.9698222634858672
Energy: 0.9979156233663263
Energy: 1.1862405282877624
Energy: 1.096161504964034
Energy: 1.1005894725819254
Energy: 1.0881705172995617
Energy: 1.0961615049632747
Energy: 1.1005894725826848
Energy: 1.0881705172980427
Energy: 1.096161504964034
Energy: 1.100589472581166
Energy: 1.0881705172988023
Energy: 1.0961615049632747
Energy: 1.019241090236584
Energy: 0.9678161297571767
Energy: 0.9982590506755179
Energy: 1.0192410902373434
Energy: 0.9678161297579361
Energy: 0.9982590506747586
Energy: 1.019241090236584
Energy: 0.9678161297571767
Energy: 1.0370513161655737
Energy: 1.0192410902373434
Energy: 1.0236864232147096
Energy: 0.9868252247255601
Energy: 1.0355315163881111
Energy: 1.0236864232147096
Energy: 0.9868252247248007
Energy: 1.0355315163888705
Energy: 1.0236864232139504
Energy: 0.9868252247255601
Energy: 1.0355315163881111
Energy: 1.023686423215469
Energy: 0.9851881223331812
Energy: 1.2277052765073224
Energy: 0.9974185193224204
Energy: 0.9851881223331812
Energy: 1.2277052765088412
Energy: 0.9974185193231798
Energy: 0.9851881223324219
Energy: 1.2277052765080818
Energy: 0.9974185193224204
Energy: 0.9851881223324219
Energy: 0.9812489981175662
Energy: 0.9584295958792021
Energy: 1.0085493531913845
Energy: 0.9812489981168068
Energy: 0.9584295958799615
Energy: 1.0085493531913845
Energy: 0.9812489981175662
Energy: 0.9584295958792021
Energy: 1.0085493531913845
Energy: 0.9812489981168068

minimum gb energy = 0.9584295958792021 eV
minimum distance =  2.19378354070025 Angstroms
sigma value = 33