Model name: model_name=Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Al__MO_140175748626_004
a1: a1=[1, -1, 0]
a2: a2=[1, 1, -2]
a3: a3=[1, 1, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.032988503575325
cohesive_energy=2.9236454478732066
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.011139487787694335
Energy: 0.409863298521737
Energy: 0.2435042039401548
Energy: 0.4098653241777166
Energy: 0.011139487788494409
Energy: 0.4098632985211198
Energy: 0.24350420393914898
Energy: 0.480171944444799
Energy: 0.011526388957626131
Energy: 0.20320660275504232
Energy: 0.011490870728993479
Energy: 0.48017194444562195
Energy: 0.01152638895883767
Energy: 0.20320660275664248
Energy: 0.011139487787694335
Energy: 0.40986329852153125
Energy: 0.24350420393994904
Energy: 0.40986532417810523
Energy: 0.011139487788494409
Energy: 0.40986329852153125
Energy: 0.2435042039389433
Energy: 0.48017194444521044
Energy: 0.011526388957420397
Energy: 0.20320660275504232
Energy: 0.011490870729199212
Energy: 0.48017194444580474
Energy: 0.01152638895883767
Energy: 0.20320660275604815
Energy: 0.0111394877874886
Energy: 0.4098632985219199
Energy: 0.24350420393994904
Energy: 0.40986532417810523
Energy: 0.011139487788700142
Energy: 0.4098632985211198
Energy: 0.24350420393855465
Energy: 0.48017194444521044
Energy: 0.011526388957626131
Energy: 0.2032066027552481
Energy: 0.011490870729382084
Energy: 0.48017194444541617
Energy: 0.01152638895883767
Energy: 0.20320660275604815

minimum gb energy = 0.0111394877874886 eV
minimum distance =  2.83107281317087 Angstroms
sigma value = 5


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

Energy: 1.0464580819283087
Energy: 0.9650222888120233
Energy: 0.9729872540258497
Energy: 0.9699124906032176
Energy: 1.046458081922902
Energy: 0.9650222888039358
Energy: 0.9729872540219177
Energy: 0.9714039594179362
Energy: 0.9551986925976588
Energy: 0.9677641259433225
Energy: 0.9856181077367521
Energy: 0.9714039594174446
Energy: 0.9551986926057912
Energy: 0.9677641259423394
Energy: 0.976232494253605
Energy: 0.9838296804736955
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Energy: 0.9689875601481919
Energy: 0.9762324942509241
Energy: 0.9838296804680654
Energy: 0.9585475219006716
Energy: 1.0070559009372309
Energy: 0.9940248379666566
Energy: 0.9796500958139425
Energy: 0.9778833155933233
Energy: 1.0070559009308409
Energy: 0.9940248379698292
Energy: 0.979650095823058
Energy: 0.9885221240737154
Energy: 0.9681502721029125
Energy: 0.9565689636993502
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Energy: 0.9885221240754581
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Energy: 0.9641939017784913
Energy: 0.9691979379008979
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Energy: 0.964193901789796
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Energy: 0.9873046605155047
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Energy: 0.9875243761395568
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Energy: 0.9873046605248436
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Energy: 0.9860009198824602
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Energy: 1.0024901699539897
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Energy: 0.9560092669629467
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Energy: 0.9810678545941185
Energy: 0.9840881927250485
Energy: 0.9859097923161342
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Energy: 0.9840881927186589
Energy: 0.9621539007915623
Energy: 0.9691886390695517
Energy: 0.9699390576765736
Energy: 0.9791122594651156
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Energy: 0.9699390576772885
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Energy: 0.9797734466068955
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Energy: 1.0005994799071032
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Energy: 0.9797734466005059
Energy: 0.9606519973276547
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Energy: 0.985993519167009
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Energy: 0.9630673106719486
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Energy: 0.9815327122520189
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Energy: 0.9869379881675889
Energy: 0.9811962219575218
Energy: 1.011086148218772
Energy: 0.9881846565455725
Energy: 0.9869379881501625
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Energy: 1.011086148223687
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Energy: 0.9779258951627754
Energy: 0.9818219361562832
Energy: 0.9715523594129208
Energy: 0.9783948871776482
Energy: 0.9779258951664394
Energy: 0.9818219361501171
Energy: 1.026918369572235
Energy: 0.9769375941200098
Energy: 0.9619557167796008
Energy: 0.9423579566998519
Energy: 1.0269183695668282
Energy: 0.976937594126891
Energy: 0.9619557167699938
Energy: 1.0039971208032827
Energy: 1.0106064921213769
Energy: 0.9538822842129867
Energy: 1.0175879173402722
Energy: 1.0039971208057403
Energy: 1.0106064921213769
Energy: 0.9538822842144612
Energy: 0.978251952527449
Energy: 0.9583092988260016
Energy: 0.9449349544679759
Energy: 0.9781859430999387
Energy: 0.9782519525323642
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Energy: 0.9787241936932023
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Energy: 0.9902605795366766
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Energy: 0.9579516090259899
Energy: 0.9859870667322629
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Energy: 0.9889509332458156
Energy: 0.9748404281589481
Energy: 0.9937725520828822
Energy: 0.9710442095505942
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Energy: 0.9937725520779671
Energy: 0.9906598978232162
Energy: 0.9854922620974998
Energy: 0.9565027148295095
Energy: 0.9696311724490722
Energy: 0.9906598978183011
Energy: 0.9854922621058556
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Energy: 0.9722418282890287
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Energy: 0.9626829026071786
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Energy: 0.9756714516437986
Energy: 0.9710588669926278
Energy: 0.9840036573377443
Energy: 1.0061844322165887
Energy: 0.9488787575284217
Energy: 0.9892099297641916
Energy: 0.9840036573256798
Energy: 1.0061844322212805
Energy: 0.9488787575370455
Energy: 0.9822659713629022
Energy: 0.943848088069719
Energy: 0.9690994885349195
Energy: 0.9840193381620771
Energy: 0.9822659713543231
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Energy: 0.9690994885359024
Energy: 0.9823127164115932
Energy: 0.9792394476455641
Energy: 0.9867774659216643
Energy: 0.978910280369812
Energy: 0.9823127164091356
Energy: 0.9792394476401576
Energy: 0.9867774659277858
Energy: 1.001080011412498
Energy: 0.9967137823497609
Energy: 0.98293753128642
Energy: 0.9484179162008727
Energy: 1.001080011403919
Energy: 0.9967137823657574
Energy: 0.9829375312846773
Energy: 0.9780447854337977
Energy: 0.9858495033315344
Energy: 0.9541442497616925
Energy: 0.9959484348503083
Energy: 0.978044785428123
Energy: 0.9858495033354665
Energy: 0.9541442497580285
Energy: 0.9767725294894527
Energy: 0.9736198177140691
Energy: 0.9706308387832981
Energy: 0.981520376062323
Energy: 0.9767725294862353
Energy: 0.9736198177035239
Energy: 0.970630838781332
Energy: 0.9513728201879562
Energy: 0.9876132769922066
Energy: 0.9564218378592754
Energy: 0.9860677555955143
Energy: 0.9513728201825496
Energy: 0.9876132769917152
Energy: 0.956421837850428
Energy: 0.9877750939576898
Energy: 0.984203260759539
Energy: 0.9649007017546872
Energy: 0.9828169786844665
Energy: 0.9877750939601474
Energy: 0.9842032607590475
Energy: 0.9649007017423994
Energy: 0.9561782277674532
Energy: 0.9847312481345496
Energy: 0.97287842073807
Energy: 0.9807744678909381
Energy: 0.9561782277775069
Energy: 0.9847312481306174
Energy: 0.9728784207545581

minimum gb energy = 0.9423579566998519 eV
minimum distance =  2.51615135119629 Angstroms
sigma value = 401


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

Energy: 0.981208635351525
Energy: 1.022133171659958
Energy: 0.983053817600352
Energy: 1.018057626766464
Energy: 0.9812086353534778
Energy: 1.0221331716577264
Energy: 0.9729464094510802
Energy: 0.9713166054240924
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Energy: 1.0153906825249484
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Energy: 1.0031269246634869
Energy: 0.9671156885103019
Energy: 1.0153906825260641
Energy: 0.9758096153110415
Energy: 0.963495655408207
Energy: 1.024069705477942
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Energy: 0.9634956554115546
Energy: 1.0240697054801737
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Energy: 0.963540223655789
Energy: 1.0288041840905604
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Energy: 0.9915804496411909
Energy: 0.9635402236499307
Energy: 1.028804184086376
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Energy: 0.9834206908840564
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Energy: 1.0153906825260641
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Energy: 1.0153906825263432
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Energy: 1.024069705479058
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Energy: 0.9749241318898071
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Energy: 1.0114556753883888
Energy: 0.9707318070081383
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Energy: 1.0114556753836466
Energy: 0.9834206908751297
Energy: 0.9679197874243283
Energy: 0.9841662155293792
Energy: 0.9749734337375495
Energy: 0.9884111372897557
Energy: 0.9679197874151481
Energy: 0.9841662155221262
Energy: 0.9769621619447066
Energy: 0.9676231189510798
Energy: 0.9897297361421393
Energy: 0.9868085737939891
Energy: 0.9867113093301515
Energy: 0.9676231189449428
Energy: 0.9897297361479976
Energy: 0.9780270380119234
Energy: 0.9669743819775032
Energy: 0.9916124880737827
Energy: 0.9791840108886595
Energy: 1.0230122018334962
Energy: 0.9669743819802928
Energy: 0.9916124880737827
Energy: 0.9791840108903331
Energy: 0.963502628414575
Energy: 1.0098216056689178
Energy: 1.041761502760352
Energy: 1.022386580045522
Energy: 0.9635026284257333
Energy: 1.009821605675334
Energy: 1.0417615027628628
Energy: 0.9635281464104352
Energy: 1.0144745838603308
Energy: 0.9755584246562158
Energy: 1.0217181285644383
Energy: 0.9635281464210356
Energy: 1.0144745838625628
Energy: 0.9755584246679321
Energy: 0.9670295313742877
Energy: 0.9986861111227969
Energy: 0.9747838550122567
Energy: 1.023668925203231
Energy: 0.9670295313678717
Energy: 0.9986861111272604
Energy: 0.9747838550167202
Energy: 0.9822386703780488
Energy: 1.0146637602235995
Energy: 0.9762012547774752
Energy: 1.0282777071275613
Energy: 0.9822386703766539
Energy: 1.014663760214698
Energy: 0.9762012547866808
Energy: 0.9869220818431279
Energy: 1.0221331716574473
Energy: 0.9729464094547067
Energy: 1.0180576267692536
Energy: 0.9869220818439648
Energy: 1.0221331716571687
Energy: 0.9729464094561014
Energy: 0.9713166054290883
Energy: 1.0237048886052178
Energy: 0.9758344303156077
Energy: 0.9991013305448123
Energy: 0.9713166054276935
Energy: 1.0237048886004756
Energy: 0.9758344303183972

minimum gb energy = 0.9634956554023488 eV
minimum distance =  2.56254163179168 Angstroms
sigma value = 311


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

Energy: 1.0504558492144358
Energy: 1.0001061723140576
Energy: 1.068743530870945
Energy: 1.0001817540887925
Energy: 1.0504558492144358
Energy: 1.0001061723137354
Energy: 1.0505481027136763
Energy: 1.0068078163214467
Energy: 0.9986121080798034
Energy: 1.0334544210138392
Energy: 1.0061286227863706
Energy: 1.0068078163162926
Energy: 0.9986121080804475
Energy: 1.0334544210128729
Energy: 1.042594680423901
Energy: 1.0010358094091532
Energy: 1.0963680770662858
Energy: 0.9817777389968472
Energy: 1.0425946804245452
Energy: 1.0010358094072203
Energy: 1.053387961259099
Energy: 0.9998606419779895
Energy: 0.9926418917370052
Energy: 0.9993111083822672
Energy: 0.9595134523145326
Energy: 0.9998606419760568
Energy: 0.9926418917353946
Energy: 0.999311108381301
Energy: 1.0502447221868079
Energy: 1.0011380317122327
Energy: 1.0573522122484464
Energy: 0.9924278260319549
Energy: 1.0502447221839089
Energy: 1.0011380317144876
Energy: 1.0366854063307795
Energy: 0.998335764060564
Energy: 0.9905692556743932
Energy: 0.9843951358774878
Energy: 0.9768958977430001
Energy: 0.9983357640602419
Energy: 0.9905692556750375
Energy: 0.9843951358794206
Energy: 1.0526524506654518
Energy: 1.0071517009619038
Energy: 1.0071769265889186
Energy: 1.0188922103706142
Energy: 1.0526524506657737
Energy: 1.0071517009635143
Energy: 1.007176926589563
Energy: 0.9985349191516704
Energy: 1.0041802626010743
Energy: 1.0376535188398353
Energy: 1.0122157558422238
Energy: 0.998534919150382
Energy: 1.004180262597209
Energy: 1.0376535188404796
Energy: 1.045955955113725
Energy: 1.0068110707349038
Energy: 1.030028385858072
Energy: 1.0108115194183174
Energy: 1.0459559551175905
Energy: 1.0068110707365145
Energy: 1.0116863856561067
Energy: 1.0105465240680136
Energy: 1.0105255213713242
Energy: 1.0443556645742715
Energy: 0.99829152115697
Energy: 1.0105465240657736
Energy: 1.0105255213719684
Energy: 1.0443556645736274
Energy: 1.0626990946199855
Energy: 1.0085803236471738
Energy: 1.0175686588686659
Energy: 0.9717609799741125
Energy: 1.0626990946215813
Energy: 1.0085803236462074
Energy: 1.0175686588670554
Energy: 1.0347436991915266
Energy: 1.012664667764918
Energy: 1.0335331791324354
Energy: 1.0312672955820235
Energy: 1.0347436991892722
Energy: 1.0126646677642739
Energy: 1.0335331791295364
Energy: 1.020114200003206
Energy: 0.9960964771189785
Energy: 1.0497698911969706
Energy: 1.0041666744751714
Energy: 1.0201142000044798
Energy: 0.9960964771183343
Energy: 1.0497698911937494
Energy: 0.9906789681891007
Energy: 0.982046130748908
Energy: 1.0444315583753927
Energy: 0.9923202160372492
Energy: 0.9906789681910335
Energy: 0.9820461307501965
Energy: 1.0444315583750707
Energy: 1.0504580308897549
Energy: 0.9860787239813165
Energy: 1.0215670499123362
Energy: 0.9596498754903603
Energy: 1.0504580308887885
Energy: 0.9860787239787394
Energy: 1.0215670499104033
Energy: 1.0236754381924655
Energy: 1.0170195339391905
Energy: 1.0369568449334419
Energy: 1.0126336132877958
Energy: 1.0236754381902105
Energy: 1.0170195339420895
Energy: 1.0369568449347302
Energy: 1.0502189445121237
Energy: 0.9896137526890524
Energy: 1.0103934190918487
Energy: 1.0126320811058527
Energy: 1.0502189445111574
Energy: 0.9896137526896821
Energy: 1.0103934190944255
Energy: 0.9928953686168952
Energy: 0.9991091425087911
Energy: 1.0697903209471706
Energy: 1.0057120113917275
Energy: 0.9928953686185058
Energy: 0.9991091425084689
Energy: 1.0697903209455601
Energy: 1.0528255546498873
Energy: 1.0006422862501254
Energy: 1.0388955011593175
Energy: 1.0104762881448648
Energy: 1.0528255546479544
Energy: 1.000642286253976
Energy: 0.998812288294669
Energy: 0.9985366550306237
Energy: 1.0070763969516012
Energy: 1.00207021531336
Energy: 1.0101813301938933
Energy: 0.9985366550319121
Energy: 1.007076396954178
Energy: 1.0020702153111052
Energy: 1.052539581752919
Energy: 1.0251627178546157
Energy: 1.026959747511535
Energy: 0.9978065873639971
Energy: 1.0525395817535634
Energy: 1.0251627178552598
Energy: 1.0156966895303878
Energy: 1.007088121861784
Energy: 1.0035309850027052
Energy: 0.9956210971826438
Energy: 0.9733002208878445
Energy: 1.0070881218627503
Energy: 1.0035309850056042
Energy: 0.995621097177812
Energy: 1.0503075144182454
Energy: 0.9663791863701017
Energy: 1.040192933986873
Energy: 1.0009901288045964
Energy: 1.0503075144143947
Energy: 0.9663791863678468
Energy: 1.0200357140904328
Energy: 0.9985611592020738
Energy: 0.986727695439383
Energy: 0.9987257846500761
Energy: 1.006496639216361
Energy: 0.9985611592014295
Energy: 0.986727695436806
Energy: 0.998725784649754
Energy: 1.0177171677873882
Energy: 1.0070106773003875
Energy: 1.038404369782489
Energy: 1.0211332758266878
Energy: 1.017717167784167
Energy: 1.0070106772984548
Energy: 1.0303496392032774
Energy: 1.0150286004962488
Energy: 0.9983505844331009
Energy: 1.0106315634088465
Energy: 1.0103838612443543
Energy: 1.0150286004956046
Energy: 0.9983505844311826
Energy: 1.010631563410135
Energy: 1.0637294552005074
Energy: 1.0098152675499985
Energy: 1.086545950275158
Energy: 1.0002341633317116
Energy: 1.0637294552011518
Energy: 1.0098152675532195
Energy: 1.068376292309819
Energy: 1.0275529485740187
Energy: 1.0032362156235684
Energy: 1.0078214800263838
Energy: 1.0050754444529408
Energy: 1.0275529485730523
Energy: 1.0032362156219579
Energy: 1.0078214800254173
Energy: 1.0268652110521734
Energy: 0.9920084490675072
Energy: 1.0969328950705817
Energy: 0.9944175439886016
Energy: 1.026865211051207
Energy: 0.9920084490655892
Energy: 1.0489369994007431
Energy: 0.9984692937358238
Energy: 0.9982852550946975
Energy: 0.9991371421371575
Energy: 0.9924196526711311
Energy: 0.9984692937367902
Energy: 0.9982852550979185
Energy: 0.9991371421394124
Energy: 1.0460359228251823
Energy: 1.0011558575808766
Energy: 1.02811350964853
Energy: 0.9664998315689792
Energy: 1.0460359228245382
Energy: 1.0011558575802324
Energy: 1.028113509648208
Energy: 0.9983645953722915
Energy: 0.9719499023688429
Energy: 0.9853353964581937
Energy: 0.964487384027064
Energy: 0.9983645953729358
Energy: 0.9719499023698093
Energy: 0.9853353964572273
Energy: 1.0439800686003744
Energy: 1.0247569669302052
Energy: 1.0135944579293084
Energy: 1.0247609874923074
Energy: 1.0439800686013407
Energy: 1.0247569669295609
Energy: 1.0035663917937911
Energy: 0.9984904169486352
Energy: 1.0042118110739189
Energy: 1.0377113907730835
Energy: 1.0129037858832435
Energy: 0.9984904169463805
Energy: 1.004211811074563
Energy: 1.0377113907695403
Energy: 1.0526258216201902
Energy: 1.0069005287007595
Energy: 1.029025241394913
Energy: 0.9954150212421764
Energy: 1.0526258216172912
Energy: 1.0069005287010815
Energy: 1.0137187247144908
Energy: 0.9926891579466307
Energy: 1.0248857684710406
Energy: 1.0426344087727895
Energy: 0.998296907040969
Energy: 0.9926891579463087
Energy: 1.0248857684681414
Energy: 1.0426344087618376

minimum gb energy = 0.9595134523145326 eV
minimum distance =  2.52880818273642 Angstroms
sigma value = 39


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

Energy: 1.0055688423111544
Energy: 1.0243748062963283
Energy: 0.9912925179477343
Energy: 1.0244133487115608
Energy: 1.0055688423233193
Energy: 1.024374806293287
Energy: 0.991292517940131
Energy: 0.9952605436380452
Energy: 0.9389197449606104
Energy: 0.9101925989824807
Energy: 0.9403481028856681
Energy: 0.9952605436357642
Energy: 0.9389197449621309
Energy: 0.910192598970713
Energy: 1.0055493097314663
Energy: 0.9358920498840791
Energy: 0.9414376564809267
Energy: 1.0278251926896174
Energy: 1.0055493097348878
Energy: 0.9358920498806578
Energy: 0.9414376564832075
Energy: 0.9948145831318798
Energy: 0.9387171819394122
Energy: 0.9099730653442168
Energy: 0.9901091388177072
Energy: 0.9948145831375822
Energy: 0.9387171819325693
Energy: 0.9099730653480185
Energy: 1.0230557897865098
Energy: 1.027566766900119
Energy: 0.979995720097968
Energy: 1.0278391920468672
Energy: 1.0230557897903116
Energy: 1.02756676690278
Energy: 0.9799957201097529
Energy: 0.995043865354537
Energy: 0.940640060793354
Energy: 1.0365394065500233
Energy: 0.9908212062942442
Energy: 0.9950438653526363
Energy: 0.9406400607925938
Energy: 1.0365394065530649
Energy: 1.0847564228007964
Energy: 1.0275878785134767
Energy: 1.008097635103282
Energy: 1.0276952459280249
Energy: 1.084756422799656
Energy: 1.0275878785127162
Energy: 0.9980188061393362
Energy: 0.9951277931893479
Energy: 0.9200240846864277
Energy: 0.9642995034148788
Energy: 0.9199991490914539
Energy: 0.9951277931961905
Energy: 0.9200240846837665
Energy: 0.9642995034110772
Energy: 1.084610966759058
Energy: 1.0276954216888126
Energy: 1.0052038385876718
Energy: 1.0277099395217608
Energy: 1.0846109667636197
Energy: 1.027695421694515
Energy: 0.9779697316995447
Energy: 0.9949955839599456
Energy: 0.9908476825233307
Energy: 1.0365655723006844
Energy: 0.940464531262964
Energy: 0.9949955839550035
Energy: 0.9908476825248512
Energy: 1.036565572296883
Energy: 1.0227059820841253
Energy: 1.027807768259056
Energy: 0.9993847148657865
Energy: 1.0275586248417172
Energy: 1.0227059820841253
Energy: 1.0278077682529736
Energy: 0.9933407966200403
Energy: 0.994907573601033
Energy: 0.9901282263848452
Energy: 0.9104076379859771
Energy: 0.9386750951319441
Energy: 0.9949075735979916
Energy: 0.9901282263871262
Energy: 0.9104076379867375
Energy: 1.0055650522258155
Energy: 1.0278257684983065
Energy: 0.9962055496646354
Energy: 0.9358883224956405
Energy: 1.005565052226956
Energy: 1.0278257684971661
Energy: 0.9921172793037877
Energy: 0.9953593866219327
Energy: 0.9406562191629475
Energy: 0.9103955698535366
Energy: 0.9391194314668879
Energy: 0.9953593866207924
Energy: 0.9406562191606664
Energy: 0.9103955698554375
Energy: 1.0055688423100138
Energy: 1.0243748062951878
Energy: 0.991292517949635
Energy: 1.0244133487111806
Energy: 1.0055688423229392
Energy: 1.0243748062925269
Energy: 0.99129251793747
Energy: 0.9952605436384254
Energy: 0.93891974495985
Energy: 0.9101925989847617
Energy: 0.9403481028856681
Energy: 0.9952605436357642
Energy: 0.9389197449613707
Energy: 0.9101925989714733
Energy: 1.0055493097326067
Energy: 0.9358920498848394
Energy: 0.9414376564782655
Energy: 1.0278251926873536
Energy: 1.0055493097364085
Energy: 0.9358920498806578
Energy: 0.9414376564828275
Energy: 0.9948145831330202
Energy: 0.9387171819371312
Energy: 0.9099730653419359
Energy: 0.9901091388112444
Energy: 0.9948145831375822
Energy: 0.9387171819348502
Energy: 0.9099730653464978
Energy: 1.0230557897853692
Energy: 1.0275667668993584
Energy: 0.9799957200991084
Energy: 1.0278391920472476
Energy: 1.0230557897887909
Energy: 1.0275667669004989
Energy: 0.9799957201097529
Energy: 0.9950438653549173
Energy: 0.9406400607925938
Energy: 1.036539406546602
Energy: 0.9908212062957649
Energy: 0.9950438653552974
Energy: 0.9406400607922135
Energy: 1.0365394065496434
Energy: 1.0847564228007964
Energy: 1.027587878514237
Energy: 0.9980188061305925
Energy: 1.027695245928405
Energy: 1.0847564228026971
Energy: 1.0275878785134767
Energy: 0.9980188061419973
Energy: 0.9951277931904883
Energy: 0.9200240846849069
Energy: 0.9642995034144987
Energy: 0.9199991490918341
Energy: 0.9951277931977113
Energy: 0.9200240846826262
Energy: 0.9642995034129781
Energy: 1.084610966759058
Energy: 1.027695421688052
Energy: 0.9779697316889001
Energy: 1.0277099395213805
Energy: 1.0846109667643802
Energy: 1.0276954216937546
Energy: 0.9779697316987843
Energy: 0.9949955839607058
Energy: 0.9908476825256116
Energy: 1.0365655723003042
Energy: 0.9404645312633442
Energy: 0.9949955839557638
Energy: 0.9908476825248512
Energy: 1.036565572297263
Energy: 1.0227059820871662
Energy: 1.027807768258676
Energy: 0.9047055150774942
Energy: 1.0275586248428579
Energy: 1.0227059820841253
Energy: 1.0278077682598163
Energy: 0.9545145308498858
Energy: 0.9949075736017934
Energy: 0.9901282263878864
Energy: 0.9104076379844565
Energy: 0.938675095136126
Energy: 0.9949075735995123
Energy: 0.990128226386746
Energy: 0.9104076379863574
Energy: 1.0055650522258155
Energy: 1.0278257684986867
Energy: 0.9921172792958043
Energy: 0.9358883224952602
Energy: 1.0055650522265758
Energy: 1.0278257684983065
Energy: 0.9921172793049281
Energy: 0.9953593866223129
Energy: 0.9406562191629475
Energy: 0.910395569854297
Energy: 0.9391194314653672
Energy: 0.9953593866207924
Energy: 0.9406562191606664
Energy: 0.9103955698546773
Energy: 1.0055688423111544
Energy: 1.0243748062963283
Energy: 0.9912925179488747
Energy: 1.0244133487115608
Energy: 1.0055688423229392
Energy: 1.024374806293287
Energy: 0.9912925179386104
Energy: 0.9952605436384254
Energy: 0.9389197449613707
Energy: 0.910192598983241
Energy: 0.9403481028856681
Energy: 0.9952605436361445
Energy: 0.9389197449625111
Energy: 0.9101925989710932

minimum gb energy = 0.9047055150774942 eV
minimum distance =  2.56450368258668 Angstroms
sigma value = 21


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

Energy: 1.0638961431322014
Energy: 0.9818117716974616
Energy: 1.009360042010924
Energy: 0.9819316497644999
Energy: 1.0638961431345089
Energy: 0.981811771699769
Energy: 1.009360042010924
Energy: 1.046916664036655
Energy: 0.9856961577492716
Energy: 0.8826451576409216
Energy: 0.9860021345795976
Energy: 1.0469166640352705
Energy: 0.9856961577474256
Energy: 0.882645157641383
Energy: 1.0639237906655261
Energy: 0.9635152753159668
Energy: 0.9465586309253542
Energy: 0.9895678375105916
Energy: 1.0639237906659877
Energy: 0.9635152753131978
Energy: 0.9465586309235292
Energy: 1.0502701043256537
Energy: 0.9863152149466125
Energy: 0.9366082378968605
Energy: 0.9798226468359819
Energy: 1.0502701043219618
Energy: 0.9863152149443051
Energy: 0.936608237898245
Energy: 0.9976800293298262
Energy: 0.9392036267003934
Energy: 0.9683399077902546
Energy: 1.0200772493084915
Energy: 0.9976800293238267
Energy: 0.9392036266994704
Energy: 0.9683399077921006
Energy: 1.0501896252434384
Energy: 0.9417564209503008
Energy: 1.0604192169891808
Energy: 0.980387581984298
Energy: 1.050189625241131
Energy: 0.9417564209521468
Energy: 1.0604192169887192
Energy: 1.0266032819682285
Energy: 0.9392820821467897
Energy: 0.9680860005982822
Energy: 1.0004230335770579
Energy: 1.0266032819677668
Energy: 0.9392820821463282
Energy: 0.9680860005992051
Energy: 1.0185541952558275
Energy: 0.988042935754155
Energy: 1.0601416854371752
Energy: 0.9804313048257157
Energy: 1.0185541952567505
Energy: 0.988042935753232
Energy: 1.0601416854413284
Energy: 1.0249594583845745
Energy: 0.9803269312755201
Energy: 0.9572153308985676
Energy: 0.9984048929892344
Energy: 1.024959458386882
Energy: 0.9803269312741356
Energy: 0.9572153308981062
Energy: 1.0308738127169976
Energy: 0.9941443206878222
Energy: 0.9235814471192808
Energy: 0.9800719452647305
Energy: 1.030873812716536
Energy: 0.9941443206896683
Energy: 0.9235814471192808
Energy: 1.0665935970989435
Energy: 0.9880143525096653
Energy: 0.9372765946871094
Energy: 0.9863585474743503
Energy: 1.0665935970998457
Energy: 0.9880143525124343
Energy: 0.9372765946852634
Energy: 0.9372406971003022
Energy: 0.9940024049982426
Energy: 0.9527527006091965
Energy: 0.937146541473008
Energy: 0.9372406971012254
Energy: 0.9940024049973196
Energy: 0.9527527006128884
Energy: 1.0478133610157085
Energy: 0.9875159004006475
Energy: 0.980760291062674
Energy: 0.979151356049218
Energy: 1.0478133610166316
Energy: 0.9875159004043396
Energy: 0.9807602910649604
Energy: 0.937160008453148
Energy: 0.9938340714759147
Energy: 0.9877603083825891
Energy: 0.9376130698826858
Energy: 0.937160008453148
Energy: 0.9938340714772992
Energy: 0.9877603083867427
Energy: 1.0492246024963225
Energy: 0.9513577510803941
Energy: 0.9366415354585067
Energy: 0.9790588901851487
Energy: 1.0492246024917078
Energy: 0.951357751076723
Energy: 0.9366415354548148
Energy: 0.9376685585352541
Energy: 1.0196054297256172
Energy: 0.9871977239599563
Energy: 0.9923991303786398
Energy: 0.9376685585320236
Energy: 1.0196054297260786
Energy: 0.9871977239622638
Energy: 1.0493003829585954
Energy: 0.9513313543328237
Energy: 0.980782161875641
Energy: 0.9801026620503118
Energy: 1.049300382956749
Energy: 0.9513313543346696
Energy: 0.9807821618797946
Energy: 0.9376344825304025
Energy: 0.9957665518076179
Energy: 0.9746670778099047
Energy: 1.0688109021963068
Energy: 0.9376344825299409
Energy: 0.9957665518090024
Energy: 0.9746670778145198
Energy: 1.0642210468069357
Energy: 0.9513142094128388
Energy: 1.0599555368984581
Energy: 0.9797722748105406
Energy: 1.0642210468046283
Energy: 0.9513142094133005
Energy: 1.0599555368993812
Energy: 0.937618986585719
Energy: 1.0403934194520195
Energy: 0.9619194789330708
Energy: 1.0403047636347087
Energy: 0.9376189865880263
Energy: 1.0403934194520195
Energy: 0.9619194789344554
Energy: 1.0642242782149587
Energy: 0.9797796184519275
Energy: 1.0599244653727844
Energy: 0.9512950956408897
Energy: 1.0642242782158817
Energy: 0.979779618448697
Energy: 1.0599244653769169
Energy: 0.9376236672642143
Energy: 1.0687861508942447
Energy: 0.9746228792696047
Energy: 0.9957839908706924
Energy: 0.9376236672628298
Energy: 1.0687861508947063
Energy: 0.9746228792705276
Energy: 1.0492679723140976
Energy: 0.9790488665555555
Energy: 0.9804738061015537
Energy: 0.9513487817556731
Energy: 1.049267972315482
Energy: 0.9790488665555555
Energy: 0.9804738061047842
Energy: 0.9376255449378824
Energy: 0.9923473963225335
Energy: 0.987246481113316
Energy: 1.0195804033935876
Energy: 0.9376255449406514
Energy: 0.9923473963234565
Energy: 0.9872464811119315
Energy: 1.0491646510796644
Energy: 0.9790831246494789
Energy: 0.8869040435840038
Energy: 0.9512617441755452
Energy: 1.0491646510773567
Energy: 0.9790831246536325
Energy: 0.8869040436001562

minimum gb energy = 0.8826451576409216 eV
minimum distance =  2.60505148929257 Angstroms
sigma value = 113


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

Energy: 0.9209116038051427
Energy: 0.9778389011300498
Energy: 0.8983515147713927
Energy: 0.9776427679788605
Energy: 0.9209116038110432
Energy: 0.9778389011202626
Energy: 0.8983515147778084
Energy: 1.0150506390739678
Energy: 0.951601451390064
Energy: 0.8838282087454422
Energy: 0.9516801805506405
Energy: 1.015050639062635
Energy: 0.951601451390064
Energy: 0.8838282086491615
Energy: 0.9208233175396346
Energy: 0.910376058071743
Energy: 0.90022874645579
Energy: 0.9565784149201049
Energy: 0.9208233175342023
Energy: 0.9103760594374706
Energy: 0.9002287464315792
Energy: 0.8980057856644511
Energy: 0.9515703963292044
Energy: 0.8875072869708176
Energy: 0.9517437964323673
Energy: 0.8980057856570052
Energy: 0.9515703963348238
Energy: 0.8875072869605152
Energy: 0.9083403817381019
Energy: 0.9011180498201479
Energy: 0.8987840680454379
Energy: 0.8942129058464301
Energy: 0.908340381742738
Energy: 0.9011180498208972
Energy: 0.898784068046749
Energy: 0.8977728962480939
Energy: 0.8948344663977249
Energy: 0.93772488856216
Energy: 0.8918263693534392
Energy: 0.8977728962475787
Energy: 0.8948344663894829
Energy: 0.9377248885412742
Energy: 0.9022376425703711
Energy: 0.9012712090857944
Energy: 0.8718037253799438
Energy: 0.9036187545401212
Energy: 0.9022376425652198
Energy: 0.9012712090821886
Energy: 0.8718037253699222
Energy: 0.8961313638262186
Energy: 0.9276308653716233
Energy: 0.9285647236261678
Energy: 0.9119221407516609
Energy: 0.8961313638357248
Energy: 0.9276308653680175
Energy: 0.9285647236462575
Energy: 0.9022449457303902
Energy: 0.910889882610276
Energy: 0.9768107766961724
Energy: 0.8970981147957063
Energy: 0.9022449457224292
Energy: 0.9108898826107912
Energy: 0.9768107766928477
Energy: 0.8976326160911481
Energy: 0.9277281727444029
Energy: 0.9357918086313939
Energy: 0.937200631561537
Energy: 0.8976326160906329
Energy: 0.9277281727580302
Energy: 0.9357918086430074
Energy: 0.9021567644025719
Energy: 0.9305002641570618
Energy: 0.9433970898399029
Energy: 0.8974192471357192
Energy: 0.902156764399247
Energy: 0.9305002641441837
Energy: 0.9433970897951341
Energy: 0.897596394848469
Energy: 0.9139980854855279
Energy: 0.911362949099071
Energy: 0.9255670183186558
Energy: 0.8975963948497334
Energy: 0.9139980854790656
Energy: 0.9113629491173345
Energy: 0.9017339991940246
Energy: 0.9159767177920564
Energy: 0.9434113760478167
Energy: 0.9149210184224008
Energy: 0.9017339992040461
Energy: 0.9159767177936017
Energy: 0.9434113760573699
Energy: 0.9244883147032392
Energy: 0.953486137593372
Energy: 0.9316161976054408
Energy: 0.929073961774437
Energy: 0.9244883147032392
Energy: 0.953486137588455
Energy: 0.9316161976005704
Energy: 0.9018527841811471
Energy: 0.941902301789617
Energy: 0.9545720377152012
Energy: 0.9491565521333737
Energy: 0.9018527841808662
Energy: 0.9419023017857769
Energy: 0.9545720377285475
Energy: 0.9244511973677023
Energy: 0.9142216293161796
Energy: 0.9218655726018162
Energy: 0.9142604273314756
Energy: 0.9244511973640964
Energy: 0.9142216293231102
Energy: 0.921865572740056
Energy: 0.9247241391065152
Energy: 0.8896921158474871
Energy: 0.9077714591930653
Energy: 0.9147706446028321
Energy: 0.9247241391170518
Energy: 0.8896921158477212
Energy: 0.9077714592043981
Energy: 0.8975299714366574
Energy: 0.9137136645864044
Energy: 0.9222772856511939
Energy: 0.8935865470509101
Energy: 0.8975299714320213
Energy: 0.9137136645951615
Energy: 0.9222772856442163
Energy: 0.9247564932207487
Energy: 0.9143744252234747
Energy: 0.9242363488243239
Energy: 0.9239084913460304
Energy: 0.9247564932166278
Energy: 0.9143744252309205
Energy: 0.9242363488253541
Energy: 0.8970044023448895
Energy: 0.9142896484904903
Energy: 0.9305830441258038
Energy: 0.9140978054719665
Energy: 0.8970044023471841
Energy: 0.9142896485038835
Energy: 0.9305830441214489
Energy: 0.9234351892719088
Energy: 0.9103271032653597
Energy: 0.9032403906153001
Energy: 0.901931652368935
Energy: 0.9234351892706444
Energy: 0.9103271032638143
Energy: 0.9032403906137547
Energy: 0.897104674039772
Energy: 0.9131568644192513
Energy: 0.9130095033755161
Energy: 0.912333353199201
Energy: 0.8971046740382266
Energy: 0.9131568644128355
Energy: 0.9130095033855843
Energy: 0.9239535186551969
Energy: 0.9119677905125892
Energy: 0.9730427706383058
Energy: 0.9179092838349717
Energy: 0.9239535186580535
Energy: 0.9119677905164293
Energy: 0.9730427706372757
Energy: 0.8978835895425594
Energy: 0.9055566319406508
Energy: 0.9415979529727412
Energy: 0.9124839327882099
Energy: 0.8978835895394686
Energy: 0.9055566319352654
Energy: 0.9415979529698847
Energy: 0.9238653782894167
Energy: 0.9678363055785426
Energy: 0.9642816571430111
Energy: 0.951433170968986
Energy: 0.9238653782793952
Energy: 0.9678363055852393
Energy: 0.9642816571319593
Energy: 0.9162038542170707
Energy: 0.9124275695105608
Energy: 0.9785298743417065
Energy: 0.8875399844668046
Energy: 0.916203854218897
Energy: 0.9124275695149159
Energy: 0.9785298743450781
Energy: 1.0554479835176176
Energy: 0.9680462427912994
Energy: 0.9176872463574662
Energy: 0.9523813476483118
Energy: 1.055447983519397
Energy: 0.9680462427748154
Energy: 0.9176872463659423
Energy: 0.9162814026247763
Energy: 0.9242528078018735
Energy: 0.9561829493998097
Energy: 0.9565269881052454
Energy: 0.9162814026147548
Energy: 0.9242528078109116
Energy: 0.9561829494072555
Energy: 1.0545177101146448
Energy: 0.9678359556767093
Energy: 0.8969235652050639
Energy: 0.9521824039235126
Energy: 1.0545177101066372
Energy: 0.9678359556726351
Energy: 0.8995035072047594
Energy: 0.9158484215350424
Energy: 0.9118671512702937
Energy: 0.967097892487799
Energy: 0.8867655639096361
Energy: 0.9158484215260512
Energy: 0.9118671512630822
Energy: 0.9670978924922009
Energy: 0.9238357155250987
Energy: 0.9683050019271285
Energy: 0.947028716989979
Energy: 0.9756649976130579
Energy: 0.923835715517887
Energy: 0.968305001911909
Energy: 0.9470287169784122
Energy: 0.9158044111520891
Energy: 0.9053899707852384
Energy: 0.9119385498437701
Energy: 0.9118159903978995
Energy: 0.9158044111593007
Energy: 0.9053899707965711
Energy: 0.9119385498561331
Energy: 0.923853706327287
Energy: 0.9112046974573668
Energy: 0.9404604403733486
Energy: 0.9143245677943662
Energy: 0.9238537063311739
Energy: 0.9112046974674349
Energy: 0.9404604403702579
Energy: 0.9397117141353389
Energy: 0.905502168962553
Energy: 0.9414325471327684
Energy: 0.9123045265371624
Energy: 0.9397117141371651
Energy: 0.9055021689661589
Energy: 0.9414325471278981
Energy: 0.9393750624668707
Energy: 0.9075102895449916
Energy: 0.8996934152265077
Energy: 0.913813473588971
Energy: 0.9393750624552571
Energy: 0.9075102895295378
Energy: 0.8996934152180316
Energy: 0.9397110105274066
Energy: 0.9106930019890761
Energy: 0.9414279939946727
Energy: 0.9286561234285011
Energy: 0.9397110105256271
Energy: 0.9106930019895911
Energy: 0.9414279940065206
Energy: 0.9393643174406845
Energy: 0.9127770394908926
Energy: 0.8979499583629679
Energy: 0.9183324985684401
Energy: 0.9393643174427451
Energy: 0.912777039484992
Energy: 0.8979499583740196
Energy: 0.9368324097221155
Energy: 0.9104928605708872
Energy: 0.9355330635189505
Energy: 0.929115894537715
Energy: 0.9368324097135927
Energy: 0.9104928605693419
Energy: 0.9355330635194657
Energy: 0.9394121583949427
Energy: 0.9738177117485287
Energy: 0.9578379451620543
Energy: 0.9104481627691455
Energy: 0.9394121584160628
Energy: 0.9738177117472644
Energy: 0.9578379451653792
Energy: 0.9360113907682086
Energy: 0.9200075609836215
Energy: 0.9361830728731693
Energy: 0.9099544518098508
Energy: 0.9360113907646027
Energy: 0.9200075609795004
Energy: 0.9361830728716238
Energy: 1.0017862205329595
Energy: 0.910574955495598
Energy: 0.9368164531623004
Energy: 0.9106910758798786
Energy: 1.0017862205224228
Energy: 0.9105749555040741
Energy: 0.936816453173399
Energy: 0.9359653482993678
Energy: 0.8930718761529051
Energy: 0.9546648776435732
Energy: 0.9074288331474852
Energy: 0.9359653483057834
Energy: 0.8930718761593675
Energy: 0.9546648776448378
Energy: 0.9490508893752417
Energy: 0.9107399819261746
Energy: 0.9154807236776048
Energy: 0.9104187035679555
Energy: 0.9490508893659694
Energy: 0.9107399819132965
Energy: 0.9154807236598097
Energy: 0.9322848399251541
Energy: 0.9341108239524881
Energy: 0.958671959321897
Energy: 0.9262000279476355
Energy: 0.9322848399403267
Energy: 0.9341108239362385
Energy: 0.9586719593229271
Energy: 0.8991210161458962
Energy: 0.9138439039054975
Energy: 0.9139795559843353
Energy: 0.9164797729672082
Energy: 0.8991210161430396
Energy: 0.9138439039062938
Energy: 0.9139795559817596

minimum gb energy = 0.8718037253699222 eV
minimum distance =  2.5574962368533 Angstroms
sigma value = 365


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

Energy: 0.860264434832844
Energy: 0.7341263565099371
Energy: 0.868161302999443
Energy: 0.7341263565110985
Energy: 0.8602644348276177
Energy: 0.7341263565105177
Energy: 0.8681613029971204
Energy: 0.8602644348311018
Energy: 0.7341263565105177
Energy: 1.314337896614637
Energy: 0.7341263565110985
Energy: 0.8602644348305211
Energy: 0.7341263565081949
Energy: 0.8681613029982816
Energy: 0.8602644348293597
Energy: 0.7341263565087757
Energy: 1.3143378966152177
Energy: 0.7341263565087757
Energy: 0.8602644348305211
Energy: 0.7341263565116791
Energy: 0.8681613029982816
Energy: 0.8602644348334247
Energy: 0.7341263565105177
Energy: 0.868161302997701
Energy: 0.7341263565116791
Energy: 0.8602644348299403
Energy: 0.7341263565116791
Energy: 0.8681613029953782
Energy: 0.8602644348293597
Energy: 0.7341263565105177
Energy: 1.3143378966128951
Energy: 0.7341263565116791
Energy: 0.8602644348281984
Energy: 0.7341263565081949
Energy: 0.868161302999443
Energy: 0.8602644348322633
Energy: 0.7341263565087757
Energy: 1.31433789661696
Energy: 0.7341263565087757
Energy: 0.8602644348305211
Energy: 0.7341263565105177
Energy: 0.868161302997701
Energy: 0.8602644348322633
Energy: 0.7341263565110985
Energy: 0.868161302999443
Energy: 0.7341263565110985
Energy: 0.8602644348287789
Energy: 0.7341263565110985
Energy: 0.8681613029971204
Energy: 0.8602644348305211
Energy: 0.7341263565110985
Energy: 1.3143378966134756
Energy: 0.7341263565116791
Energy: 0.8602644348305211
Energy: 0.7341263565081949
Energy: 0.8681613029988624
Energy: 0.8602644348287789
Energy: 0.7341263565081949
Energy: 1.3143378966157986
Energy: 0.7341263565087757
Energy: 0.8602644348293597
Energy: 0.7341263565105177
Energy: 0.8681613029988624
Energy: 0.8602644348311018
Energy: 0.7341263565105177
Energy: 0.868161302997701
Energy: 0.7341263565116791
Energy: 0.8602644348311018
Energy: 0.7341263565105177
Energy: 0.8681613029959588
Energy: 0.8602644348287789
Energy: 0.7341263565105177
Energy: 1.3143378966123143
Energy: 0.7341263565116791
Energy: 0.8602644348299403
Energy: 0.7341263565081949
Energy: 0.8681613030000238
Energy: 0.8602644348299403
Energy: 0.7341263565087757
Energy: 1.3143378966157986
Energy: 0.7341263565081949
Energy: 0.8602644348287789
Energy: 0.7341263565110985
Energy: 0.8681613029982816
Energy: 0.8602644348311018
Energy: 0.7341263565099371
Energy: 0.868161302999443
Energy: 0.7341263565110985
Energy: 0.8602644348293597
Energy: 0.7341263565105177
Energy: 0.868161302997701
Energy: 0.8602644348322633
Energy: 0.7341263565105177
Energy: 1.3143378966128951
Energy: 0.7341263565116791
Energy: 0.8602644348293597
Energy: 0.7341263565081949
Energy: 0.8681613029982816
Energy: 0.8602644348305211
Energy: 0.7341263565087757
Energy: 0.8527474000748766
Energy: 0.7341263565081949
Energy: 0.8602644348311018
Energy: 0.7341263565105177
Energy: 0.868161302999443
Energy: 0.8602644348305211
Energy: 0.7341263565105177
Energy: 0.8681613029982816
Energy: 0.7341263565116791
Energy: 0.8602644348305211
Energy: 0.7341263565116791
Energy: 0.8681613029959588
Energy: 0.8602644348281984
Energy: 0.7341263565099371
Energy: 1.3143378966140564
Energy: 0.7341263565116791
Energy: 0.8602644348281984
Energy: 0.7341263565076142
Energy: 0.8681613029988624
Energy: 0.8602644348322633
Energy: 0.7341263565087757
Energy: 1.3143378966152177
Energy: 0.7341263565081949
Energy: 0.8602644348316826
Energy: 0.7341263565105177
Energy: 0.8681613029988624
Energy: 0.8602644348322633
Energy: 0.7341263565099371
Energy: 0.8681613030000238
Energy: 0.7341263565110985
Energy: 0.8602644348299403
Energy: 0.7341263565110985
Energy: 0.8681613029982816
Energy: 0.8602644348299403
Energy: 0.7341263565105177
Energy: 1.3143378966140564
Energy: 0.7341263565116791
Energy: 0.8602644348299403
Energy: 0.7341263565076142
Energy: 0.868161302997701

minimum gb energy = 0.7341263565076142 eV
minimum distance =  2.68759453086041 Angstroms
sigma value = 23