Model name: model_name=MEAM_LAMMPS_LeeLee_2010_FeAl__MO_332211522050_002
a1: a1=[1, 1, -1]
a2: a2=[-1, 1, 0]
a3: a3=[1, 1, 2]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.0419338792562485
cohesive_energy=3.370440303774132
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=120.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[0.0, 6.537761863868699e-23, 3.0893970945105e-19, 3.43223085065382e-19, 3.71669731202052e-19, 3.95846576609112e-19, 4.1669890550062203e-19, 4.34853168940476e-19, 4.50754772032926e-19, 4.647257522814059e-19, 4.77017651417454e-19, 4.87824332813784e-19, 4.97304411957162e-19, 5.05586062978308e-19, 5.12778233888334e-19, 5.18967442225476e-19, 5.242353989980679e-19, 5.286477934481039e-19, 5.32260701757774e-19, 5.351269957559999e-19, 5.37293138565168e-19, 5.387959802478599e-19, 5.39675575219926e-19, 5.399623648374119e-19, 5.3965314474705e-19, 5.38196766186744e-19, 5.35308041715642e-19, 5.322062277522179e-19, 5.28226420993362e-19, 5.229071945684819e-19, 5.15987393686236e-19, 5.07159400432896e-19, 4.96046703299472e-19, 4.82189477592006e-19, 4.65022154958696e-19, 4.4383497115068e-19, 4.177435246659899e-19, 3.85624689684192e-19, 3.4604451811785596e-19, 2.97152495954712e-19, 2.36527734300786e-19, 1.6096267553481e-19, 6.61503484292652e-20, -5.380381506999779e-20, -2.0710376041737598e-19, -4.0543720594023593e-19, -6.65874222150204e-19, -1.014064054780986e-18, -1.489963386907908e-18, -2.15842031779212e-18, -3.1302045333784797e-18, -4.6072031069640596e-18, -6.989223195797219e-18, -1.116234858731166e-17]
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: 0.011764578548432164
Energy: 0.22031894338994504
Energy: 0.17544384483420114
Energy: 0.19098113541989833
Energy: 0.013044134478642347
Energy: 0.012616564608471579
Energy: 0.1390232160257758
Energy: 0.12742623108317425
Energy: 0.1546349332664735
Energy: 0.05769403291838821
Energy: 0.11862888925732741
Energy: 0.3236300143816878
Energy: 0.12406262116289005
Energy: 0.13985007935682664
Energy: 0.17244325770780838
Energy: 0.18772141762779768
Energy: 0.3074171500038808
Energy: 0.12498976848653531
Energy: 0.7195083934247314
Energy: 0.17519418425319677
Energy: 0.16447000674655485
Energy: 0.05447519185141485
Energy: 0.012151784983808311
Energy: 0.1502610982397346
Energy: 0.5893030457510201
Energy: 0.12230298667630919
Energy: 0.0441028156424563
Energy: 0.012132740243831312
Energy: 0.10049955558361
Energy: 0.17548527814080275
Energy: 0.17580822079107375
Energy: 0.012631727865823261
Energy: 0.11527556832258863
Energy: 0.26223520461849054
Energy: 0.140031892027938
Energy: 0.1434656993104663
Energy: 0.012731844819116477
Energy: 0.11933959989483596
Energy: 0.2680901035195137
Energy: 0.13746617882270581
Energy: 0.24644834500742868
Energy: 0.1275004060038607
Energy: 0.26758986471858537
Energy: 0.0641567884397592
Energy: 0.012343791185880727
Energy: 0.22692481020175195
Energy: 0.14874645628241007
Energy: 0.17590262827781553
Energy: 0.053901696537324344
Energy: 0.2927687755868423
Energy: 0.1246879162239415
Energy: 0.5685649806951496
Energy: 0.10128242796452386
Energy: 0.012560019296557057
Energy: 0.06230404799825358
Energy: 0.29836622282089764
Energy: 0.5635802214069906
Energy: 0.14410159192520752
Energy: 0.012752616064028544
Energy: 0.07955296320199294
Energy: 0.05272351542080118
Energy: 0.3426674288703861
Energy: 0.384973675649821
Energy: 0.13321228655004408
Energy: 0.29990022176454567
Energy: 0.0560157774212849
Energy: 0.30250943596202035
Energy: 0.1800945240664795
Energy: 0.17739905230197928
Energy: 0.2785792502396357

minimum gb energy = 0.011764578548432164 eV
minimum distance =  2.62653114819877 Angstroms
sigma value = 3


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

Energy: 0.7260359524944551
Energy: 0.749326737762396
Energy: 0.6692652952200653
Energy: 0.6637231667057353
Energy: 0.7870850723168976
Energy: 0.6525449562265363
Energy: 0.7738778072033538
Energy: 0.6569085411182303
Energy: 0.7172883996244984
Energy: 0.7809642387915674
Energy: 0.7590265622369972
Energy: 0.810112655175274
Energy: 0.7087082329159426
Energy: 0.7105142737924621
Energy: 0.6848799711040329
Energy: 0.7243334579357523
Energy: 0.8320812018013687
Energy: 0.7101445689211723
Energy: 0.7152960621157053
Energy: 0.7632973871915604
Energy: 0.6688622912672373
Energy: 0.7773661473089287
Energy: 0.7384248776090082
Energy: 0.6381290321991517
Energy: 0.5588993853028853
Energy: 0.6162949198678229
Energy: 0.8286446327871942
Energy: 0.7086245398429666
Energy: 0.684063841848296
Energy: 0.6684819984217104
Energy: 0.7140110577760632
Energy: 0.7653288597921908
Energy: 0.799423737231729
Energy: 0.6902511898869059
Energy: 0.5540548472771876
Energy: 0.7109232615543893
Energy: 0.7976768298842242
Energy: 0.7237692717432783
Energy: 0.7276216535574221
Energy: 0.6525200769642289
Energy: 0.784605644007917
Energy: 0.6716895788515915
Energy: 0.77355962905808
Energy: 0.7167150179163945
Energy: 0.7121213806120477
Energy: 0.7388207612469355
Energy: 0.7346870896480286
Energy: 0.7741310375431482
Energy: 0.7058361296259023
Energy: 0.7152793982034159
Energy: 0.7712687157893502
Energy: 0.7472375740041731
Energy: 0.7312974541938652
Energy: 0.6046363334534225
Energy: 0.7512962214487349
Energy: 0.7045425326826364
Energy: 0.7532011326016643
Energy: 0.7442681653626328
Energy: 0.5896080975202018
Energy: 0.7760305900768467
Energy: 0.6649374517832574
Energy: 0.7587312664822096
Energy: 0.7314462537291292
Energy: 0.7248738539132762
Energy: 0.7587366054955189
Energy: 0.6763353666483997
Energy: 0.7926317760341839
Energy: 0.7392014343063855
Energy: 0.7324677068024351
Energy: 0.7811824574826606
Energy: 0.6551964062675875
Energy: 0.7395113465611178
Energy: 0.8320442918767798
Energy: 0.8079696868544237
Energy: 0.7435571586839679
Energy: 0.6619800810017057
Energy: 0.7480199041508242
Energy: 0.6879468042990553
Energy: 0.8099014959424665
Energy: 0.7192522308231342
Energy: 0.6934625674024202
Energy: 0.7192289909950927
Energy: 0.7164967362776705
Energy: 0.7419147291501871
Energy: 0.7774106932237085
Energy: 0.715627371466866
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Energy: 0.8512588715389798
Energy: 0.7427066396160641
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Energy: 0.5961479597657334
Energy: 0.7321347287611719
Energy: 0.9598597726463477
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Energy: 0.7927648838261304
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Energy: 0.7723888222727879
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Energy: 0.7776636905618419
Energy: 0.7214975300646798
Energy: 0.7302312373362844
Energy: 0.7308136581945959
Energy: 0.7100990574625451
Energy: 0.7723053718191257
Energy: 0.6960570605422599
Energy: 0.6970343056375227
Energy: 0.712674850556274
Energy: 0.7696261192106493
Energy: 0.7994701863865474
Energy: 0.7070207059074229
Energy: 0.7576050389709055
Energy: 0.6544978824596304
Energy: 0.6499598128181308
Energy: 0.7962551600570871
Energy: 0.6574468264038874
Energy: 0.7872673300811868
Energy: 0.6576486984773837
Energy: 0.6589876385904221
Energy: 0.7883957296777654
Energy: 0.7111670677426102
Energy: 0.81464905513244
Energy: 0.7039599282338058
Energy: 0.7159821508028135
Energy: 0.6989406860711723
Energy: 0.6902801096644221
Energy: 0.8233615295730466
Energy: 0.703534141427564
Energy: 0.721602112345511
Energy: 0.7704844373074395
Energy: 0.6459958882700412
Energy: 0.8380818707314391
Energy: 0.6087917752122727
Energy: 0.7086843796486962
Energy: 0.567332981470702
Energy: 0.6188764646703999
Energy: 0.8471582954176837
Energy: 0.7153906328800764
Energy: 0.6733952938026341
Energy: 0.6326965365089574
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Energy: 0.7350526004105301
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Energy: 0.5646318916648746
Energy: 0.6629649471687786
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Energy: 0.88245848088833
Energy: 0.6779129080944074
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Energy: 0.7698591934537785
Energy: 0.758313398997004
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Energy: 0.7420989335928048
Energy: 0.7864378425576681
Energy: 0.7398500603267549
Energy: 0.7826397501742922
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Energy: 0.7703488966010876
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Energy: 0.7456902709225034
Energy: 0.6789968432324588
Energy: 0.7538939598894175
Energy: 0.7296779366129106
Energy: 0.7494673342301549
Energy: 0.7412228953048667
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Energy: 0.7623215572179821
Energy: 0.7068239994182436
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Energy: 0.6779726430553594
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Energy: 0.7152630761713916
Energy: 0.7956945525835584
Energy: 0.7321819685826266
Energy: 0.723640386173083
Energy: 0.7612189027820615
Energy: 0.6437235532512322
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Energy: 0.8141735980644833
Energy: 0.7893485260091302
Energy: 0.736592716506903
Energy: 0.6616945332622295
Energy: 0.7434809186983911
Energy: 0.8245353523479726
Energy: 0.7865786566081931
Energy: 0.7249423472949816
Energy: 0.6820651620380068
Energy: 0.7170534078540576
Energy: 0.6982354371373155
Energy: 0.8925114974333843
Energy: 0.7581461907571216
Energy: 0.696421909817124
Energy: 0.7268117711248854
Energy: 0.6951702245946232
Energy: 0.8542742273613498
Energy: 0.7187800311643227
Energy: 0.7276587200507134
Energy: 0.6781652625609714
Energy: 0.6045274987676399
Energy: 0.730826064412458
Energy: 0.7185416099432745
Energy: 0.7412687259749658
Energy: 0.6911593445166314
Energy: 0.5975752633353542
Energy: 0.781533803264861
Energy: 0.7602909879572717
Energy: 0.749526900277144
Energy: 0.6368927642747362
Energy: 0.6397720913052287
Energy: 0.7349028405993694
Energy: 0.7822233063968586
Energy: 0.7824383976299346
Energy: 0.630344918142331
Energy: 0.6187310807059827
Energy: 0.7206080536081148
Energy: 0.7768542102494964
Energy: 0.8054836575585895
Energy: 0.7608505053621512
Energy: 0.7172657118516005
Energy: 0.8028203430845341
Energy: 0.7655625862379163
Energy: 0.7873154696636754
Energy: 0.6504735009210278
Energy: 0.7363205384909295
Energy: 0.7272423614501607
Energy: 0.7815897654637157
Energy: 0.7647902138729641
Energy: 0.6276357485703871
Energy: 0.7879963666754379
Energy: 0.7388846363687216
Energy: 0.7303227008054363
Energy: 0.7202929629551926
Energy: 0.8363999168110122
Energy: 0.7851823894560634
Energy: 0.7354524638455749
Energy: 0.7780352170948984
Energy: 0.7470983704043365
Energy: 0.750501694924789
Energy: 0.7785007651909551
Energy: 0.7647590168590723
Energy: 0.8018650252805867
Energy: 0.6976432794408723
Energy: 0.6768231876620271
Energy: 0.745565220878788
Energy: 0.7685923362232882
Energy: 0.8072015622232834
Energy: 0.7382340902236918
Energy: 0.7249057154316654
Energy: 0.6663520500990873
Energy: 0.6555947842640771
Energy: 0.7970985416529003
Energy: 0.6602023929862357
Energy: 0.7694240676919231
Energy: 0.6581966193452455
Energy: 0.6617125204481348
Energy: 0.7731550456785112

minimum gb energy = 0.5540548472771876 eV
minimum distance =  2.45814504543759 Angstroms
sigma value = 75


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

Energy: 1.1367776305431565
Energy: 0.7748401085546571
Energy: 0.6857714524220125
Energy: 0.686179842363559
Energy: 0.7481681227763686
Energy: 1.105194058828607
Energy: 0.758713050800109
Energy: 0.704197708193093
Energy: 0.7605109115411319
Energy: 0.7392602398772228
Energy: 0.6012008126345696
Energy: 0.8053335847532559
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Energy: 0.6608718529222806
Energy: 0.6157289626339952
Energy: 0.5824235956893297
Energy: 0.7289710771602661
Energy: 0.579053567384987
Energy: 0.6665075866984234
Energy: 0.6330850655060407
Energy: 0.6438094705061773
Energy: 0.8533965342763647
Energy: 0.8406173398105529
Energy: 0.6518517784900135
Energy: 0.676447555511331
Energy: 0.6349870092041251
Energy: 0.8541734244306589
Energy: 0.8426268681590873
Energy: 0.6563965710503216
Energy: 0.6711482555311016
Energy: 0.6939860228458617
Energy: 0.7597348748978299
Energy: 0.7858678482228828
Energy: 0.6188532786317982
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Energy: 0.6758417555141293
Energy: 0.7571876550659559
Energy: 0.6547610779483521
Energy: 0.6165538463653246
Energy: 0.6642165875010232
Energy: 0.7628709223720378
Energy: 0.5581710124069924
Energy: 0.6075858278298869
Energy: 0.7701839267577002
Energy: 0.71051190431116
Energy: 0.7198202345682694
Energy: 0.5673142562115758
Energy: 0.7588041851757391
Energy: 0.759970625506645
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Energy: 0.9090584357500593
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Energy: 0.6672529356751004
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Energy: 0.6725207239304593
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Energy: 0.6260306563644875
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Energy: 0.7634828659126903
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Energy: 0.754701976790554
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Energy: 0.7652813014439397
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Energy: 0.6492084473568028
Energy: 0.8183443387290109
Energy: 0.6859518819532495
Energy: 0.632502395555399
Energy: 0.6025395817165836
Energy: 0.8037146755483676
Energy: 0.5902588906167889
Energy: 0.6742534757667038
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Energy: 0.6641329948359352
Energy: 0.677761395640029
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Energy: 0.6633075358768611
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Energy: 0.687102684506734
Energy: 0.6184435709824468
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Energy: 0.7639784788536407
Energy: 0.719043599596158
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Energy: 0.7840739307365079
Energy: 0.7056592845277153
Energy: 0.7674106500698615
Energy: 0.7146350442153082
Energy: 0.7973104933593543
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Energy: 0.804952006020997
Energy: 0.6877483302546339
Energy: 0.5967587822581997
Energy: 0.6173342665702741
Energy: 0.6801042191877253
Energy: 0.6163298092002006
Energy: 0.6723741969720932
Energy: 0.5971424019782903
Energy: 0.7164367119765471
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Energy: 0.8122580173471742
Energy: 0.6268522921856172
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Energy: 0.6228415876268443
Energy: 0.5851998355326811
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Energy: 0.735408052995592
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Energy: 0.6136887363094846
Energy: 0.7033112766724617
Energy: 0.6119174096258392
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minimum gb energy = 0.5581710124069924 eV
minimum distance =  2.57695072007772 Angstroms
sigma value = 105


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

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Energy: 0.7652238559595992
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Energy: 0.8531854250981565
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Energy: 0.6346862233055659
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Energy: 0.6603573030704551
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Energy: 0.6869250848461229
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Energy: 0.6470664951593992
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Energy: 0.771322491435794
Energy: 0.7920921368976093
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Energy: 0.7302671280786047
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Energy: 0.7863694178453388
Energy: 0.7478110520709549
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Energy: 0.7128103848361513
Energy: 0.7498469151981632
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Energy: 0.7580557576559537
Energy: 0.8639467964461599
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Energy: 0.7446497881084562
Energy: 0.883526563849348
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Energy: 0.7405686416474897
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Energy: 0.6915347272204699
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Energy: 0.6977445950644675
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Energy: 0.6982724292260662
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Energy: 0.7548426865265974
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Energy: 0.6988416830200176
Energy: 0.7689898978525663
Energy: 0.974030948849296
Energy: 0.7497449853078215
Energy: 0.7056269933013906
Energy: 0.7102162256060762
Energy: 0.778485930265506
Energy: 0.7561389239247247
Energy: 0.7508234534107652
Energy: 0.71185558705569
Energy: 0.7424252575506717
Energy: 0.718991931803991
Energy: 0.7462938357503313
Energy: 0.7526998648477267
Energy: 0.6883594671034478
Energy: 0.7480323120949202
Energy: 0.7327235040266306
Energy: 0.7160569526238032
Energy: 0.7063141684142269
Energy: 0.6936107097370465
Energy: 0.7619635981050723
Energy: 0.6929604534284526
Energy: 0.7375550241733104
Energy: 0.6915093272643105
Energy: 0.69666885774251
Energy: 0.7902495864350595
Energy: 0.7140842811023536
Energy: 0.7851751433470516
Energy: 0.6836308043510427
Energy: 0.6758499111950781
Energy: 0.7049149828374471
Energy: 0.8141381492539803
Energy: 0.7569415034139564
Energy: 0.6822962228713235
Energy: 0.6716417703448758
Energy: 0.7166644240416227
Energy: 0.7243678868480186
Energy: 0.7463800325547426
Energy: 0.6794199197301583
Energy: 0.6922862932373445
Energy: 0.716412759967323
Energy: 0.7196229675392731
Energy: 0.7340582715906139
Energy: 0.6933728226507677
Energy: 0.693449570784461
Energy: 0.7604747114569351
Energy: 0.7402506411863782
Energy: 0.7915162505419113
Energy: 0.7826640322694771
Energy: 0.7790261033529764
Energy: 0.7731950055310792
Energy: 0.7691201914391115
Energy: 0.7482121285953911
Energy: 0.7730893953814806
Energy: 0.7818380401643366
Energy: 0.7745359945757174
Energy: 0.7708458086113287
Energy: 0.7007927822724422
Energy: 0.7613697931184541
Energy: 0.6880182203925068
Energy: 0.6810570289421334
Energy: 0.75745388168707
Energy: 0.7107242905208869
Energy: 0.7312440257873899
Energy: 0.6931434046528058
Energy: 0.6811693955314904
Energy: 0.7983890148969904
Energy: 0.8323225669661154
Energy: 0.7221960948605985
Energy: 0.6462076672845337
Energy: 0.645903575407301
Energy: 0.7269805658057495
Energy: 0.7654227796822597
Energy: 0.6917797734077823
Energy: 0.6283841534786272
Energy: 0.6561213844454076
Energy: 0.7635341006684997

minimum gb energy = 0.6141920038717424 eV
minimum distance =  2.50218025708125 Angstroms
sigma value = 165


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

Energy: 0.7351333177342313
Energy: 0.778809663542471
Energy: 0.7226319850683958
Energy: 0.6803838555731607
Energy: 0.7956000291407385
Energy: 0.7350990180566871
Energy: 0.755693324549646
Energy: 0.7080589697457664
Energy: 0.7023167811737308
Energy: 0.7896948041255945
Energy: 0.7759731128420719
Energy: 0.7087444425230583
Energy: 0.7207413172360952
Energy: 0.670210051657603
Energy: 0.753278919976277
Energy: 0.6929268106828675
Energy: 0.7083300025345525
Energy: 0.6946089293175929
Energy: 0.6992731275358892
Energy: 0.7240656488841781
Energy: 0.742618139240385
Energy: 0.7749377554295963
Energy: 0.6829220245069932
Energy: 0.7439618916089448
Energy: 0.7285184859977056
Energy: 0.7397164265979627
Energy: 0.7550806702594984
Energy: 0.8127493152507018
Energy: 0.7453086204400431
Energy: 0.7431991307079412
Energy: 0.7781821811359594
Energy: 0.6980183596629594
Energy: 0.7172237728472557
Energy: 0.6979903938329017
Energy: 0.7809971909604216
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Energy: 0.6707439007366763
Energy: 0.7060834807101537
Energy: 0.7377660633861823
Energy: 0.7549857231456454
Energy: 0.6991939823217043
Energy: 0.7756813104339921
Energy: 0.7024734139524059
Energy: 0.6551435263319402
Energy: 0.6663528942456489
Energy: 0.6903160774468738
Energy: 0.7529336027703618
Energy: 0.677678161232043
Energy: 0.6443898942586074
Energy: 0.665784784238308
Energy: 0.7767658650963459
Energy: 0.8388866131274249
Energy: 0.7613091791604872
Energy: 0.6039499132802902
Energy: 0.7217589791941811
Energy: 0.7639864184492495
Energy: 0.8511709755344129
Energy: 0.741933278113063
Energy: 0.5902317070843914
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Energy: 0.7018850637322516
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Energy: 0.6270157716509533
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Energy: 0.7206904285387886
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Energy: 0.7173001299149858
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Energy: 0.700119495307832
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Energy: 0.8708204400585586
Energy: 0.7153437050289714
Energy: 0.6745139274160233
Energy: 0.709776660113057
Energy: 0.7046164292166197
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Energy: 0.7027728035053514
Energy: 0.7028398919302447
Energy: 0.667712857865421
Energy: 0.7540439428565595
Energy: 0.6555654775538947
Energy: 0.7633697618958337
Energy: 0.7168474142898867
Energy: 0.6909042835755296
Energy: 0.7152752941495685
Energy: 0.7605877211684942
Energy: 0.7132035447327582
Energy: 0.7911800636639252
Energy: 0.7125169678358411
Energy: 0.7178036664316196
Energy: 0.7527058289877788
Energy: 0.7178807119459419
Energy: 0.7228496402491943
Energy: 0.6802558759775724
Energy: 0.6930632794574287
Energy: 0.7827655543922918
Energy: 0.7892155668149732
Energy: 0.7025678458400655
Energy: 0.8289306390612543
Energy: 0.7402847707191188
Energy: 0.8042459448045145
Energy: 0.7489312916876301
Energy: 0.7152657419262943
Energy: 0.8117125357777368
Energy: 0.7603548432376107
Energy: 0.6894194341903518
Energy: 0.7870843635530972
Energy: 0.7191037308645695
Energy: 0.6716214378767454
Energy: 0.7254063317074491
Energy: 0.7949718168473681
Energy: 0.7544691468401284
Energy: 0.7061753965657822
Energy: 0.6823785412112392
Energy: 0.746579725088834
Energy: 0.8143076267317568
Energy: 0.8084274956403891
Energy: 0.680868467423101
Energy: 0.657572852563862
Energy: 0.6506929141465179
Energy: 0.8461564227357362
Energy: 0.7808896275233403
Energy: 0.6889181984218586
Energy: 0.6546861442157227
Energy: 0.664112100118186
Energy: 0.7179523028878407
Energy: 0.8410113245694032
Energy: 0.7162796978585168
Energy: 0.6032994597589618
Energy: 0.6530879446519113
Energy: 0.7572849820458143
Energy: 0.8258607922902179
Energy: 0.6997802006155839
Energy: 0.59376513312782
Energy: 0.6754592067593824
Energy: 0.7733423901411446
Energy: 0.7295369473202978
Energy: 0.7273147366702808
Energy: 0.7236208191133984
Energy: 0.7021084484916303
Energy: 0.8322892721478271
Energy: 0.719285464713183
Energy: 0.7154057121591282
Energy: 0.6914320039032904
Energy: 0.7188771318674397

minimum gb energy = 0.5902317070843914 eV
minimum distance =  2.56553005005784 Angstroms
sigma value = 41


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

Energy: 1.0982028419046586
Energy: 0.741784359428745
Energy: 0.6658014125555289
Energy: 0.6472090349993146
Energy: 0.7331809188664787
Energy: 0.7324920944265887
Energy: 0.720017968665447
Energy: 0.6771897783941826
Energy: 0.673491385006482
Energy: 0.7297957680491871
Energy: 0.7044299812030245
Energy: 0.615714115075483
Energy: 0.6357098464060303
Energy: 0.6211013375376974
Energy: 0.6779774206618632
Energy: 0.7122791421246346
Energy: 0.609866707554223
Energy: 0.6498747161336369
Energy: 0.6355293639203293
Energy: 0.7269875548059637
Energy: 0.6648771202751382
Energy: 0.6743948239956206
Energy: 0.697390929105402
Energy: 0.638429286265288
Energy: 0.7642475161365014
Energy: 0.6803163478440714
Energy: 0.6866401001189242
Energy: 0.6830485511294209
Energy: 0.6302794080419276
Energy: 0.764389037091527
Energy: 0.7677318292959902
Energy: 0.6731190925694769
Energy: 0.6147942960204813
Energy: 0.6720526699468734
Energy: 0.8191485500007759
Energy: 0.7671405803553566
Energy: 0.7076983437355453
Energy: 0.6298190864242709
Energy: 0.6888782763349591
Energy: 0.8261232092581454
Energy: 0.6369928950923356
Energy: 0.7396881151498274
Energy: 0.633256920079945
Energy: 0.6696661815295675
Energy: 0.6936688926988623
Energy: 0.6295246852818469
Energy: 0.718922994914041
Energy: 0.6437983633980632
Energy: 0.6786087924606196
Energy: 0.6944218323579744
Energy: 0.720732794074194
Energy: 0.7786947682404068
Energy: 0.745623590019499
Energy: 0.6413818246499144
Energy: 0.7094631304813993
Energy: 0.7402116613626859
Energy: 0.784524781087242
Energy: 0.7549815966335806
Energy: 0.628836494677805
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Energy: 0.6811085129737379
Energy: 0.6413786244264532
Energy: 0.769670034667891
Energy: 0.6426949405080056
Energy: 0.6905154403441253
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Energy: 0.7900865175746471
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Energy: 0.7076387003731137
Energy: 0.7106565552087255
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Energy: 0.9166540174452058
Energy: 0.7088411565929283
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Energy: 0.6013710757636822
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Energy: 0.648157684801882
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Energy: 0.6797927877524325
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Energy: 0.6139997253193014
Energy: 0.7010884439018444
Energy: 0.792083239887439
Energy: 0.6211348338772776
Energy: 0.6535850636007753
Energy: 0.626653367685783
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Energy: 0.6712515793631602
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Energy: 0.6671209310091206
Energy: 0.6803866647219837
Energy: 0.7355541877039973
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Energy: 0.7378074673103575
Energy: 0.7201086839933293
Energy: 0.6352223946701434
Energy: 0.658534900753494
Energy: 0.797644753619298
Energy: 0.6436293000806341
Energy: 0.75827153450622
Energy: 0.6208572814024819
Energy: 0.6556415841711714
Energy: 0.6968277824658757
Energy: 0.6676193612663266
Energy: 0.7724168185754923
Energy: 0.6933039736765824
Energy: 0.6386192282488486
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Energy: 0.6976121686480853
Energy: 0.7540059685306667
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Energy: 0.6440007290304284
Energy: 0.6629205624821463
Energy: 0.6919645869949448
Energy: 0.6477355789558563
Energy: 0.6429240446374241
Energy: 0.7122151336664406
Energy: 0.6432913178234396
Energy: 0.6826092028673837
Energy: 0.6386023775694797
Energy: 0.6491313883670309
Energy: 0.8009144335078011
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Energy: 0.6440421865079576
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Energy: 0.733401447262225
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Energy: 0.7640883255731115
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Energy: 0.6460198291283991
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Energy: 0.6442393671574026
Energy: 0.7519114309179302
Energy: 0.7436286555519689
Energy: 0.7560867303192896
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Energy: 0.767526950663549
Energy: 0.7604244879399555
Energy: 0.6318067230888385
Energy: 0.7197411747437843
Energy: 0.7230037119908843
Energy: 0.7457612872751955
Energy: 0.6397741610835114
Energy: 0.6681543492944659
Energy: 0.6269765954435836
Energy: 0.7101379202485921
Energy: 0.709645487427965
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Energy: 0.6760133500731546
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Energy: 0.7421699861746514
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Energy: 0.7934002973705792
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Energy: 0.662290577713858
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Energy: 0.6931189239129922
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Energy: 0.6812494869699964
Energy: 0.8012952141982413
Energy: 0.6535595779905443
Energy: 0.611567540263855
Energy: 0.6119368468577461
Energy: 0.6829650390877585
Energy: 0.8557158782622722
Energy: 0.6417298946102532
Energy: 0.6003971196565433
Energy: 0.6189313785845859
Energy: 0.7267938869984447
Energy: 0.9743976157958307
Energy: 0.6913432541391882
Energy: 0.5986494424051125
Energy: 0.6438238176616267
Energy: 0.7259595537351736
Energy: 0.9858294188632843
Energy: 0.6776957086152575
Energy: 0.6556576584320354
Energy: 0.6537122422755082
Energy: 0.7138681059276467
Energy: 0.6967591425303802
Energy: 0.629767756027886
Energy: 0.6451837979268111
Energy: 0.6061080176179381
Energy: 0.7221375818619928
Energy: 0.6394123699638946
Energy: 0.6363393227469646
Energy: 0.6378042573454725
Energy: 0.6330310808727199
Energy: 0.7555594838981007
Energy: 0.7147639652898435
Energy: 0.6456921457881456
Energy: 0.659072734122061
Energy: 0.6251497199827127
Energy: 0.8667055921585829
Energy: 0.6670040023054499
Energy: 0.6265758860817604
Energy: 0.6385153970089463
Energy: 0.642829953610428

minimum gb energy = 0.5946151384894548 eV
minimum distance =  2.54969123305088 Angstroms
sigma value = 185


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

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Energy: 0.6507202626228774
Energy: 0.7271615502841233
Energy: 0.6172371106754744
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Energy: 0.27823703959702345
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Energy: 0.3228985512604403
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Energy: 0.6063348799453995
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Energy: 0.5470558270958834
Energy: 0.47540680563545074
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Energy: 0.6999585341709764
Energy: 0.6653396910017769
Energy: 0.5453146167196875
Energy: 0.4182343742049298
Energy: 0.5025283315574153
Energy: 1.2917046902361187
Energy: 0.6535890980333283
Energy: 0.3733731273004888
Energy: 0.34562398076399353
Energy: 0.5833997165689454
Energy: 1.0772054386246743
Energy: 0.6782590114574898
Energy: 0.3886927461051858
Energy: 0.34074140152964755
Energy: 0.6254520126144997
Energy: 0.7616575610664443
Energy: 0.6015621702198407
Energy: 0.45725087704376005
Energy: 0.48853095620522374
Energy: 0.6446424690248925
Energy: 0.7471093973687811
Energy: 0.5770893490252598
Energy: 0.4938512279998189
Energy: 0.5242505677764774
Energy: 0.6756025113395835
Energy: 0.6899128532349829
Energy: 0.5391556509418705
Energy: 0.46265884996889844
Energy: 0.5277109777006693
Energy: 0.6794217327240506
Energy: 0.5649462449553875
Energy: 0.5327602098561736
Energy: 0.28231212507346887
Energy: 0.5534741935401039
Energy: 0.6565136237732112
Energy: 0.7180241831430894
Energy: 0.4831094478727597

minimum gb energy = 0.27823703959702345 eV
minimum distance =  2.64574837055605 Angstroms
sigma value = 33


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

Energy: 0.9013654399514385
Energy: 0.5748879328903495
Energy: 0.631266199552712
Energy: 0.6239627287940422
Energy: 0.6023559194561398
Energy: 0.8569192345994867
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Energy: 0.6928836356538148
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Energy: 0.6680979976872747
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Energy: 0.6481167752358864
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Energy: 0.5477010836757765
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Energy: 0.8422031353458421
Energy: 0.5976928504397552
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Energy: 0.5945668967231962
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Energy: 0.5800729114344063
Energy: 0.6359778411261001
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Energy: 0.5888446933221283
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Energy: 0.6213908446475468
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Energy: 0.6469613518529613
Energy: 0.6202617808211546
Energy: 0.62292146215101
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Energy: 0.6714556253424075
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Energy: 0.6191559265843137
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Energy: 0.8536525146305786
Energy: 0.62908135093431
Energy: 0.6045754625232755
Energy: 0.674180348217164
Energy: 0.6378050599105437
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minimum gb energy = 0.522179945014745 eV
minimum distance =  2.58246345315348 Angstroms
sigma value = 219


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

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Energy: 0.7276355912248641
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Energy: 0.7018887803619922
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Energy: 0.7507505718563567
Energy: 0.8136630163767845
Energy: 0.7639388268700482
Energy: 0.7639315687384353
Energy: 0.7160412956329376
Energy: 0.745662081476153

minimum gb energy = 0.6197900157996898 eV
minimum distance =  2.58170179983551 Angstroms
sigma value = 15


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

Energy: 1.0043918001216088
Energy: 0.732001723161638
Energy: 0.727589285744545
Energy: 0.7232363569586769
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Energy: 0.876328538047482
Energy: 0.7752589900090178
Energy: 0.8461417594726918
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minimum gb energy = 0.6533552192233091 eV
minimum distance =  2.53364045147725 Angstroms
sigma value = 293


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

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Energy: 0.809758001479367
Energy: 0.7912244906103996
Energy: 0.7469493598662396
Energy: 0.7351306792686076
Energy: 0.7443956537078142
Energy: 0.7907144964726937
Energy: 0.7933635081021916
Energy: 0.7544946985499857
Energy: 0.7922325938578375
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Energy: 0.6536584872683115
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Energy: 0.7326954064777372
Energy: 0.8164411215615535
Energy: 0.8096901554854598
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Energy: 0.7500117678862042
Energy: 0.9151215080719963
Energy: 0.7882115921779095
Energy: 0.7161312811460084
Energy: 0.7317026140930354
Energy: 0.7040419709665906
Energy: 0.913921099537268
Energy: 0.7811886665932793
Energy: 0.7244035885458502
Energy: 0.7371498710015796
Energy: 0.7057256606588471
Energy: 0.8042849130083516
Energy: 0.7369655472836275
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Energy: 0.7257254092910487
Energy: 0.7102922045097668
Energy: 0.7554762695067262
Energy: 0.7175322093497942
Energy: 0.7747194935155977
Energy: 0.6864115350792783
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Energy: 0.7542162315145368
Energy: 0.6925439384438508
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Energy: 0.6573614804229996
Energy: 0.6767632908747542
Energy: 0.7051660120734711
Energy: 0.7819279948550283
Energy: 0.7259060148867046
Energy: 0.7204351991949091
Energy: 0.7774523094568385
Energy: 0.7084443075070394
Energy: 0.8425827193825285
Energy: 0.7258963397373575
Energy: 0.7507716921532366
Energy: 0.7399536566527307
Energy: 0.6956126130300523
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Energy: 0.7417241907119645
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Energy: 0.7411622766624678
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Energy: 0.762057400154767
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Energy: 0.797397597365457
Energy: 0.7726489057492604
Energy: 0.701168293071416
Energy: 0.7271498275447758
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Energy: 0.7766842057629059
Energy: 0.7063368981471312
Energy: 0.7966684326637883
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Energy: 0.7205317623566176
Energy: 0.697149190998658
Energy: 0.7486922171142705
Energy: 0.8716299359096212
Energy: 0.6502563757233317
Energy: 0.7270407040844967
Energy: 0.7064150467597153
Energy: 0.7403706200262954
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Energy: 0.6374442585995109
Energy: 0.72345997578255
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Energy: 0.7112431259094827
Energy: 0.6735169074823398
Energy: 0.7906189797045005
Energy: 0.7397714452200601
Energy: 0.7199640933802478
Energy: 0.7320579162298787
Energy: 0.7665157367702247
Energy: 0.795205348183613
Energy: 0.7551257802760919
Energy: 0.7008840845007985
Energy: 0.7183790899385766
Energy: 0.7376260663699327
Energy: 0.8115661522405662
Energy: 0.7372861674696592
Energy: 0.8289128702682411
Energy: 0.7641688521405823
Energy: 0.753206761928645
Energy: 0.8025763941398492
Energy: 0.7337245282166321
Energy: 0.8210754700672023
Energy: 0.7820136855664078
Energy: 0.689438429281196
Energy: 0.7290114108570489
Energy: 0.7576252233782187
Energy: 0.8091196202851157
Energy: 0.752062459355884
Energy: 0.6834606098046367
Energy: 0.7318957407440395
Energy: 0.740590381612426
Energy: 0.7836802330393681
Energy: 0.700120917887911
Energy: 0.6500461084481527
Energy: 0.7157649601125861
Energy: 0.8175846623435854
Energy: 0.7257991634951496
Energy: 0.6962377355203387
Energy: 0.648767654796496
Energy: 0.7196842006899937
Energy: 0.8333838218554033
Energy: 0.7817792896924365
Energy: 0.8056195642888635
Energy: 0.7318316112951831
Energy: 0.7634161516506854
Energy: 0.8535313087456406
Energy: 0.7254973095481808
Energy: 0.7715998087482961
Energy: 0.7586758909550775
Energy: 0.7492221991536163
Energy: 0.8734312616580077
Energy: 0.6938095758387866
Energy: 0.7813384640590259
Energy: 0.6592768896545823
Energy: 0.801991814881016
Energy: 0.7152966396056214
Energy: 0.7624895879367213
Energy: 0.7029418689457925
Energy: 0.6637333379225899
Energy: 0.7833056766816341
Energy: 0.7444352172027857
Energy: 0.7776225887199857
Energy: 0.7545700009967169
Energy: 0.7468776416167945
Energy: 0.7604239193826545
Energy: 0.8151518674589302
Energy: 0.7619150497052622
Energy: 0.7366044027724665
Energy: 0.756704028262654
Energy: 0.7949402671473941
Energy: 0.791968624545155
Energy: 0.7629508504393311
Energy: 0.8080515725284162
Energy: 0.7777575571118928
Energy: 0.7929015488975608
Energy: 0.6661080096794435
Energy: 0.7985000490642655
Energy: 0.8162905405822605
Energy: 0.7547307708434436
Energy: 0.7828978654705322
Energy: 0.7115386712154181
Energy: 0.7062764877732445

minimum gb energy = 0.6280056646012006 eV
minimum distance =  2.54168071766543 Angstroms
sigma value = 293


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

Energy: 0.6028140818458675
Energy: 0.7041189856164696
Energy: 0.7345138986480728
Energy: 0.7639640440891425
Energy: 0.6529659536878204
Energy: 0.5678574085164442
Energy: 0.7835350497337289
Energy: 0.7206422793106246
Energy: 0.7857356992729296
Energy: 0.6329545969704391
Energy: 0.7228637920949299
Energy: 0.6810037951606793
Energy: 0.6377273873040791
Energy: 0.7225453583905724
Energy: 0.7720221134695717
Energy: 0.6865436551085422
Energy: 0.6853188895303751
Energy: 0.6228211277945104
Energy: 0.7500473221994192
Energy: 0.7558271134095703
Energy: 0.7562482466879745
Energy: 0.7033029138022743
Energy: 0.6428991491689067
Energy: 0.7115034564436945
Energy: 0.6353106346645705
Energy: 0.648070894642223
Energy: 0.7100603493066724
Energy: 0.6608863666227724
Energy: 0.7522705814519659
Energy: 0.7539458087629202
Energy: 0.7086560347219636
Energy: 0.6516632902506378
Energy: 0.6274018264702045
Energy: 0.6462551308865837
Energy: 0.723674153015804
Energy: 0.7340838478651249
Energy: 0.6339231974281713
Energy: 0.6155392328444973
Energy: 0.6951470753660587
Energy: 0.65224346515465
Energy: 0.7673222790941117
Energy: 0.6276197668790713
Energy: 0.5837471943471064
Energy: 0.7147432224365864
Energy: 0.7369130828439393
Energy: 0.7895908653061602
Energy: 0.6017768808518957
Energy: 0.588711557125759
Energy: 0.689440597112688
Energy: 0.6890073722804416
Energy: 0.75570938894356
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Energy: 0.7611498317505343
Energy: 0.6652157771388224
Energy: 0.6215737345333295
Energy: 0.7257673970970842
Energy: 0.7015639771477841
Energy: 0.7593416989533491
Energy: 0.6534923412355428
Energy: 0.6572570806781223
Energy: 0.7330033192863297
Energy: 0.6124028953663607
Energy: 0.6827095519294345
Energy: 0.7843611917050997
Energy: 0.7064957018945324
Energy: 0.7243447535138022
Energy: 0.5842601001747588
Energy: 0.8371741803845146
Energy: 0.6892817192247394
Energy: 0.6833090042234169
Energy: 0.7052403689770227
Energy: 0.6512916782367042
Energy: 0.7125952142578746
Energy: 0.5787475158498054
Energy: 0.6091980912461402
Energy: 0.6929257197841918
Energy: 0.7430804040227982
Energy: 0.726436922133793
Energy: 0.5829919213349714
Energy: 0.625134632933644
Energy: 0.6539752313440917
Energy: 0.6244478423542668
Energy: 0.7081084987939175
Energy: 0.6074061648118526
Energy: 0.6754074927942761
Energy: 0.6446753396525348
Energy: 0.6347229359067883
Energy: 0.7004730564841586
Energy: 0.5974706616320519
Energy: 0.7355482789533294
Energy: 0.6558050759966623
Energy: 0.6337159562008502
Energy: 0.7648091463995178
Energy: 0.6790218706179181
Energy: 0.7116596467388809
Energy: 0.6484742040547673
Energy: 0.6632746412057671
Energy: 0.7808028559715807
Energy: 0.6785525352302082
Energy: 0.7256609627971738
Energy: 0.6397071155686221
Energy: 0.7603096423823679
Energy: 0.701872558313491
Energy: 0.6645857335320233
Energy: 0.6693208594213044
Energy: 0.6477263683538249
Energy: 0.761132607650307
Energy: 0.5915342505462072
Energy: 0.6444984147756334
Energy: 0.6561677400474674
Energy: 0.6031620790102454
Energy: 0.7757932800229523
Energy: 0.7242596930695353
Energy: 0.775804352987512
Energy: 0.6216873868318413
Energy: 0.5716793976875568
Energy: 0.7574236484325377
Energy: 0.7135018277082148
Energy: 0.7608523303148481
Energy: 0.6414736160455117
Energy: 0.7293548990297176
Energy: 0.6814193805235949
Energy: 0.6412428248885528
Energy: 0.7145780690586225
Energy: 0.7009376060368476
Energy: 0.6861985137926602
Energy: 0.653672365370859
Energy: 0.6236107442320225
Energy: 0.7081339557756859
Energy: 0.7059191940688386
Energy: 0.6532214245540334
Energy: 0.7230050196119285
Energy: 0.6522327743386271
Energy: 0.7358420643440825
Energy: 0.6309109366723571
Energy: 0.6996666458353976
Energy: 0.7271420950999689
Energy: 0.6434488647205118
Energy: 0.7154673773015691
Energy: 0.6535958373225373
Energy: 0.7452960464216091
Energy: 0.6326842475544159
Energy: 0.6076058347187137
Energy: 0.752098557323299
Energy: 0.7196462151953872
Energy: 0.7190036541525541
Energy: 0.5977909749181546
Energy: 0.6175024775436889
Energy: 0.676289708133416
Energy: 0.6432136937368936
Energy: 0.7615129356325514
Energy: 0.6445283759654663
Energy: 0.5837346347007604
Energy: 0.7178089836854333
Energy: 0.6612813850687249
Energy: 0.7782086408712742
Energy: 0.5935316815374114
Energy: 0.5831592970091307
Energy: 0.6896425022889083
Energy: 0.6924351350157824
Energy: 0.7371553813681231
Energy: 0.7254807761167823
Energy: 0.7667886389939469
Energy: 0.6490355029406274
Energy: 0.6055385720570512
Energy: 0.7481944038278288
Energy: 0.7373074094804049
Energy: 0.7940231155679867
Energy: 0.6744729218979495
Energy: 0.6589350430982233
Energy: 0.7038072705500706
Energy: 0.5999962910818711
Energy: 0.7481029690049531
Energy: 0.7555341528734657
Energy: 0.6917664681449021
Energy: 0.7172264845919949
Energy: 0.5966905625864258
Energy: 0.8024484584918224
Energy: 0.6726881517476055
Energy: 0.6954252014189445
Energy: 0.7490064408242867
Energy: 0.6788459580374178
Energy: 0.7182276983326245
Energy: 0.580771844076954
Energy: 0.607310486324286
Energy: 0.7061009672874221
Energy: 0.7911765971846348
Energy: 0.6977835956254271
Energy: 0.5730244608732586
Energy: 0.6529371386037642
Energy: 0.6586999639731439
Energy: 0.6183603502394763
Energy: 0.7662068685287239
Energy: 0.6072902717080181
Energy: 0.6943530209067942
Energy: 0.6342851549745206
Energy: 0.6722707943004979
Energy: 0.734196358280643
Energy: 0.6177791915935024
Energy: 0.7091279299673853
Energy: 0.6491918428102847
Energy: 0.653432301006053
Energy: 0.7924138539516989
Energy: 0.7085349891167573
Energy: 0.7398473267999128
Energy: 0.6665359517766766
Energy: 0.6608920789074556
Energy: 0.7739636440678698
Energy: 0.7184418856439165
Energy: 0.7095525898600449
Energy: 0.6323518563334467
Energy: 0.7631995500140107
Energy: 0.7354374903904234
Energy: 0.6968446673046728
Energy: 0.7160066700575638
Energy: 0.6474906275500097
Energy: 0.7739562784219784
Energy: 0.5943817015050696
Energy: 0.7014301421937249
Energy: 0.6785607421829397

minimum gb energy = 0.5678574085164442 eV
minimum distance =  2.55139316586856 Angstroms
sigma value = 15


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

Energy: 1.0388595156469336
Energy: 0.672103379180866
Energy: 0.7652327089673477
Energy: 0.800602486269249
Energy: 0.690750581031309
Energy: 0.6159184154911108
Energy: 0.6699895311257245
Energy: 0.7378976957230984
Energy: 0.8092040463097004
Energy: 0.713138792924125
Energy: 0.7489535058669945
Energy: 0.7186615064171857
Energy: 0.6497860060405105
Energy: 0.6471888025329563
Energy: 0.8308523503187595
Energy: 0.7226858133851342
Energy: 0.7171208389765713
Energy: 0.6417298720750739
Energy: 0.6938153979811954
Energy: 0.7707855676663055
Energy: 0.7563407183969535
Energy: 0.7695231314260522
Energy: 0.7366875392007551
Energy: 0.673890437312419
Energy: 0.7041089036491238
Energy: 0.7187541612965268
Energy: 0.7619135087314058
Energy: 0.7099463460810891
Energy: 0.6720665673087022
Energy: 0.6997302175345578
Energy: 0.7337062644603409
Energy: 0.7017931744354534
Energy: 0.77051773570219
Energy: 0.7769692914783224
Energy: 0.7583757930431378
Energy: 0.7536361079397857
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Energy: 0.8070013935863084
Energy: 0.7107510262108812
Energy: 0.781471840083943
Energy: 0.7448996966585866
Energy: 0.696783957101385
Energy: 0.6609332166205312
Energy: 0.8136529843601815
Energy: 0.788802987976477
Energy: 0.761079031264967
Energy: 0.7526874944104885
Energy: 0.669836823003186
Energy: 0.7862604974755583
Energy: 0.8104610064170789
Energy: 0.676340060004523
Energy: 0.7495521298112309
Energy: 0.7499041255329778
Energy: 0.768334362074297
Energy: 0.7518111765160509
Energy: 0.6771843531816291
Energy: 0.7437947386860705
Energy: 0.7829075511453075
Energy: 0.7792946372505568
Energy: 0.6610507650680209
Energy: 0.6306903030179485
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Energy: 0.740295090469971
Energy: 0.7307258302120994
Energy: 0.6498886485843257
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Energy: 0.7351310431886899
Energy: 0.7528038092512649
Energy: 0.7631543282181981
Energy: 0.6718239648092901
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Energy: 0.6911762294227258
Energy: 0.7596250169298877
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Energy: 0.6860660226351789
Energy: 0.7057031041973817
Energy: 0.76568821252271
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Energy: 0.7858748666667563
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Energy: 0.7766571294367968
Energy: 0.6852745580028252
Energy: 0.7865700255208321
Energy: 0.7770290814345386
Energy: 0.790245474782739
Energy: 0.7076362040057995
Energy: 0.76604640489568
Energy: 0.6434568921556405
Energy: 0.6903342000616693
Energy: 0.6418394980877129
Energy: 0.7103212202960552
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Energy: 0.6558759192688672
Energy: 0.700667650675577
Energy: 0.6505601482409358
Energy: 0.73487280980175
Energy: 0.7690306270422279
Energy: 0.7334592109230035
Energy: 0.6950544956204113
Energy: 0.6363073504893169
Energy: 0.6950639616277707
Energy: 0.767830807677199
Energy: 0.7335649321102289
Energy: 0.6893805854796561
Energy: 0.6431976006160836
Energy: 0.6863606199883118
Energy: 0.6960681282648357
Energy: 0.7413356196469976
Energy: 0.756121823320686
Energy: 0.699914005558372
Energy: 0.8093504184403448
Energy: 0.6931102825859939
Energy: 0.7414712521882262
Energy: 0.7489751476436488
Energy: 0.7039947388387842
Energy: 0.817664405032183
Energy: 0.7359703614990885
Energy: 0.7618256363462935
Energy: 0.8312022026284079
Energy: 0.824863497598665
Energy: 0.7532778433964694
Energy: 0.7440368790913013
Energy: 0.695156356742329
Energy: 0.8316316785050551
Energy: 0.8317574142519192
Energy: 0.7777794779593631
Energy: 0.6386448983015365
Energy: 0.7637843672542767
Energy: 0.7762368968537026
Energy: 0.7892493279831155
Energy: 0.7199137386993245
Energy: 0.6361828679216285
Energy: 0.7436259319721563
Energy: 0.7216424817930249
Energy: 0.7807729374220217
Energy: 0.7139476394878445
Energy: 0.7227755886069095
Energy: 0.7255604616333401
Energy: 0.732732171829527
Energy: 0.7764113893059394
Energy: 0.6841128120761067
Energy: 0.7114107478219289
Energy: 0.7333138027090125
Energy: 0.7339732291974139
Energy: 0.773523419537724
Energy: 0.6940091583477799
Energy: 0.7833761438282868
Energy: 0.7862594523696723
Energy: 0.7331011240934775
Energy: 0.7977424149405344
Energy: 0.777903031984294
Energy: 0.7800167550064931
Energy: 0.7403202117087935
Energy: 0.7249905936850768
Energy: 0.7931183759151725
Energy: 0.7661374555747347
Energy: 0.6473819773180459
Energy: 0.6995554196631257
Energy: 0.7914731717573954
Energy: 0.8254128482507723
Energy: 0.9022082824932872
Energy: 0.6446447815550495
Energy: 0.8131908572850732
Energy: 0.7965772845132185
Energy: 0.7581488251721765
Energy: 0.9028146401118678
Energy: 0.7590070972915092
Energy: 0.789166876223243
Energy: 0.7864017462835641
Energy: 0.735123353714139
Energy: 0.7015656870284777
Energy: 0.7638775679405334
Energy: 0.7966134439893147
Energy: 0.7762977379512885
Energy: 0.7336618788823476
Energy: 0.6962723151411506
Energy: 0.7236816786242527
Energy: 0.724039068213798
Energy: 0.7596549406996108
Energy: 0.634959155741093
Energy: 0.6427480020949214
Energy: 0.7393513474371497
Energy: 0.7236326684529968
Energy: 0.7373442897824593
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Energy: 0.6463424906811837
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Energy: 0.7678600342628431
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Energy: 0.7904181391231707
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Energy: 0.6938176841926671
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Energy: 0.7544321588861252
Energy: 0.7518638245026871
Energy: 0.6974036357312848
Energy: 0.6655706968428003
Energy: 0.7334297194381798
Energy: 0.7455940541658055
Energy: 0.7399651033423604
Energy: 0.6949052842049437
Energy: 0.6306964790512121
Energy: 0.6747825724680848
Energy: 0.7376904300193646
Energy: 0.7416440992425303
Energy: 0.6839586677902938
Energy: 0.6322758052844688
Energy: 0.6842436535329909
Energy: 0.7034758332057486
Energy: 0.723908987645081
Energy: 0.7394429293209357
Energy: 0.6761095852475622
Energy: 0.7378768719353389
Energy: 0.6953963495525082
Energy: 0.7227226326562406
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Energy: 0.694573048342655
Energy: 0.7120097792529549
Energy: 0.767085572702336
Energy: 0.6604456294957144
Energy: 0.6434869534249854
Energy: 0.6435097395424565
Energy: 0.8030405074599248
Energy: 0.7833365748698063
Energy: 0.6582060437387468
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Energy: 0.6539906271712437
Energy: 0.846628286510148
Energy: 0.6345305643440754
Energy: 0.7401906457110871
Energy: 0.800658537625638
Energy: 0.7469963555053191
Energy: 0.7227430088892303
Energy: 0.6456593155996558
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Energy: 0.7682947026682998
Energy: 0.717545157505648
Energy: 0.7240366195171807
Energy: 0.6956606649735544
Energy: 0.7459117049757356
Energy: 0.7277835904588882
Energy: 0.7556062433229856
Energy: 0.6866614023790091
Energy: 0.6849761089313053
Energy: 0.7298830674328752
Energy: 0.7319553559277939
Energy: 0.7587539337613557
Energy: 0.6889260284022719
Energy: 0.8339263494564391
Energy: 0.733508431617851
Energy: 0.708210966192845
Energy: 0.8089831354444689
Energy: 0.7804358534506332
Energy: 0.8152647081079544
Energy: 0.7158455878764918
Energy: 0.7450187829312583
Energy: 0.8013768447798891
Energy: 0.7431548150704627
Energy: 0.6437824530996689
Energy: 0.7938139555330957
Energy: 0.7434748145109372
Energy: 0.7456967732335182
Energy: 0.9023169426704436
Energy: 0.6482647986797508
Energy: 0.8190435725428561
Energy: 0.7708858662448509
Energy: 0.7480493149918002
Energy: 0.9014278901744006
Energy: 0.7798800928080138
Energy: 0.7844515840285637
Energy: 0.7545231619808787
Energy: 0.787946907514239
Energy: 0.7190311970228715
Energy: 0.7803740237626539
Energy: 0.7810743757187496
Energy: 0.7600077398738246
Energy: 0.7999205952737801
Energy: 0.7068593553372988
Energy: 0.7345923263726594
Energy: 0.6791445587187939
Energy: 0.7967743050908148
Energy: 0.6407035708631932
Energy: 0.6712935549530473
Energy: 0.7409593107084289
Energy: 0.8012028852966169
Energy: 0.7113390503685336
Energy: 0.6299099852351797
Energy: 0.6527778554667464
Energy: 0.7045019451288443
Energy: 0.7644177998858713
Energy: 0.7773892757114574
Energy: 0.678494687961078
Energy: 0.6543919199518659
Energy: 0.7579884431201265
Energy: 0.8342981935232378
Energy: 0.7444389278788036
Energy: 0.6623330794712566
Energy: 0.6574168059295378
Energy: 0.757063071046574
Energy: 0.6930825423059327
Energy: 0.6702782055387283
Energy: 0.7906524364918199
Energy: 0.7672720410927778
Energy: 0.7624662597447912
Energy: 0.6993529044272868
Energy: 0.6991942134808015
Energy: 0.7089639976167862
Energy: 0.7519735498225824
Energy: 0.6749366470007342
Energy: 0.7194870022830556
Energy: 0.7729389302034452
Energy: 0.779102767848774
Energy: 0.6787191899035077
Energy: 0.6856846526768111
Energy: 0.7170355202417045
Energy: 0.7644216814705871
Energy: 0.7765622359220884
Energy: 0.6530272590886749
Energy: 0.6501214190773213
Energy: 0.6416988265445674
Energy: 0.711732772784409
Energy: 0.740311176891052
Energy: 0.7173308871310714
Energy: 0.6438584740066697
Energy: 0.6358828013116791
Energy: 0.7816376792062413
Energy: 0.6755953605930657
Energy: 0.714050739397251
Energy: 0.7145139693522945
Energy: 0.6932370297530489
Energy: 0.7096370911505241
Energy: 0.740317980748954
Energy: 0.741510121085303
Energy: 0.6850506615923142
Energy: 0.6805252256962361
Energy: 0.6956195616458216
Energy: 0.7182632499100192
Energy: 0.7472444756025258
Energy: 0.6509928895819976
Energy: 0.7482436601596968
Energy: 0.7908164689590389
Energy: 0.7788666706438762
Energy: 0.6339455985232055
Energy: 0.6271313222225853
Energy: 0.7414818614297296
Energy: 0.7983994771325985
Energy: 0.7886989690741898
Energy: 0.641530850022661

minimum gb energy = 0.6159184154911108 eV
minimum distance =  2.55388037514755 Angstroms
sigma value = 437


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

Energy: 0.8306699361602383
Energy: 0.7014892096789449
Energy: 0.8068141562384668
Energy: 0.8124542312851069
Energy: 0.779856790744453
Energy: 0.8351704027999974
Energy: 0.7663465070204576
Energy: 0.7647557975749775
Energy: 0.819771066346106
Energy: 0.7289984081776214
Energy: 0.7449766171973465
Energy: 0.7850300010438089
Energy: 0.7244017561580645
Energy: 0.7327698944646107
Energy: 0.8936873068340436
Energy: 0.7200686380138693
Energy: 0.7972293979953502
Energy: 0.7102688215464906
Energy: 0.809808533245599
Energy: 0.7316048579849157
Energy: 0.6622950763766078
Energy: 0.7201044655158385
Energy: 0.801599652972109
Energy: 0.7024935518280392
Energy: 0.6462791477116868
Energy: 0.6511416254821731
Energy: 0.716025625828182
Energy: 0.8072539988091005
Energy: 0.6757423078394135
Energy: 0.6567150445642151
Energy: 0.6787959386565332
Energy: 0.7363914238957131
Energy: 0.8656084927108915
Energy: 0.757430793051888
Energy: 0.6800349687694323
Energy: 0.682094907442488
Energy: 0.6799655539507845
Energy: 0.8154491755831228
Energy: 0.7550307281968178
Energy: 0.7032988174990129
Energy: 0.7428954385691822
Energy: 0.8439841730102018
Energy: 0.782855438524619
Energy: 0.6946174890490567
Energy: 0.8084276582792121
Energy: 0.7630740354164285
Energy: 0.8209414545550372
Energy: 0.8148436342799035
Energy: 0.7057512101869092
Energy: 0.8053076377680636
Energy: 0.7208543426992926
Energy: 0.7189657939104331
Energy: 0.7861938909767862
Energy: 0.7798986773805191
Energy: 0.8416932453228562
Energy: 0.7304720714652101
Energy: 0.7092576596233133
Energy: 0.745079416798163
Energy: 0.7540851117933245
Energy: 0.8437628176145958
Energy: 0.6859224764282795
Energy: 0.6773074212410297
Energy: 0.6635107713224805
Energy: 0.8112938013391457
Energy: 0.7088507385429073
Energy: 0.6818360448710272
Energy: 0.6782096665034085
Energy: 0.6671232968250443
Energy: 0.8120248175897409
Energy: 0.7573063945537978
Energy: 0.7289291204573687
Energy: 0.7059485735248665
Energy: 0.7196434150393473
Energy: 0.7767968962319561
Energy: 0.776850058146281
Energy: 0.7155609330139622
Energy: 0.7092026329526614
Energy: 0.7271158414843102
Energy: 0.7769119066599455
Energy: 0.7541602427826237
Energy: 0.6666838498337957
Energy: 0.8422633861055331
Energy: 0.7381553419471953
Energy: 0.8147323801412577
Energy: 0.689963312251442
Energy: 0.6599906395141575
Energy: 0.8512324746591502
Energy: 0.8107623409974049
Energy: 0.8149054593040336
Energy: 0.6701588394611127
Energy: 0.7469013669884926
Energy: 0.8299672069019092
Energy: 0.630941487048909
Energy: 0.859389616018064
Energy: 0.8229819203393716
Energy: 0.7425708314031891
Energy: 0.8275375982420133
Energy: 0.6361300824533108
Energy: 0.8580306049470314
Energy: 0.8293867274013788
Energy: 0.6242115232062837
Energy: 0.6457674248263455
Energy: 0.7392584986394736
Energy: 0.8514291568423304
Energy: 0.8372358001968138
Energy: 0.6436010192067932
Energy: 0.7243613196911534
Energy: 0.7542745355013422
Energy: 0.8422295683936757
Energy: 0.6609464681758376
Energy: 0.6152534885462868
Energy: 0.6156077998424369
Energy: 0.7069350950316032
Energy: 0.8364960177087053
Energy: 0.6698029301354904
Energy: 0.6249791012121727
Energy: 0.6161978288271831
Energy: 0.779370173852818
Energy: 0.8690211173662883
Energy: 0.6496420891857957
Energy: 0.6548309674149762
Energy: 0.6599157482016753
Energy: 0.7984982167472843
Energy: 0.7969094849138816
Energy: 0.7278261269613646
Energy: 0.6627201240211592
Energy: 0.6696333932673552
Energy: 0.7791400428247308
Energy: 0.7862100771002005
Energy: 0.7497568167490298
Energy: 0.7055956766010081
Energy: 0.8044812645902851
Energy: 0.8226861045353545
Energy: 0.6473853325527102
Energy: 0.6166436957632023
Energy: 0.7031185257460076
Energy: 0.8624348583888942
Energy: 0.8068562549762158
Energy: 0.6756156706657491
Energy: 0.6874182637308036

minimum gb energy = 0.6152534885462868 eV
minimum distance =  2.5607018740635 Angstroms
sigma value = 33