Model name: model_name=MEAM_LAMMPS_KoShimLee_2011_AlH__MO_127847080751_001
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=4.044650807976723
cohesive_energy=3.360264280659711
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=60.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.06278639450866e-19, 2.6524835264187e-19, 3.0828281703111e-19, 3.42542159995932e-19, 3.7098079524943198e-19, 3.95159242833126e-19, 4.16019582607806e-19, 4.3418986781399995e-19, 4.501026861428879e-19, 4.6330141725378e-19, 4.755500576207099e-19, 4.86327899837628e-19, 4.95782344154862e-19, 5.040431668797659e-19, 5.1121450949355e-19, 5.17389298240986e-19, 5.22644437600506e-19, 5.2704401463747e-19, 5.3064891206397e-19, 5.335087973556599e-19, 5.356685314582919e-19, 5.371681687877159e-19, 5.38046161583148e-19, 5.38331349024e-19, 5.38023731110272e-19, 5.37030381597192e-19, 5.35229535060576e-19, 5.32472189073462e-19, 5.285869107360119e-19, 5.23362212732538e-19, 5.16548155508136e-19, 5.078355189724439e-19, 4.968542003230079e-19, 4.831459770425039e-19, 4.661420764258619e-19, 4.45142347284024e-19, 4.19262388115022e-19, 3.87383879628324e-19, 3.48079282443036e-19, 2.9950288907678997e-19, 2.3924502587205e-19, 1.6410935044398598e-19, 6.98005874545074e-20, -4.955259958934219e-20, -2.02137012851976e-19, -3.99602078639208e-19, -6.58964034327762e-19, -1.005825662528958e-18, -1.4800314939537417e-18, -2.1462758189064e-18, -3.11512805125254e-18, -4.58810516148678e-18, -6.96430934913852e-18, -1.112867083446498e-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: 0.012680026401450474
Energy: 0.3194608465339541
Energy: 0.3353082308815872
Energy: 0.587654153600181
Energy: 0.6092801277298816
Energy: 0.2548413539974213
Energy: 0.013233807038331635
Energy: 0.06633842796614928
Energy: 0.6056039010667394
Energy: 0.2879786865321963
Energy: 0.33536160221867845
Energy: 0.3340774095895451
Energy: 0.013267802368568232
Energy: 0.06688627402697692
Energy: 0.013911943578485473
Energy: 0.44992255012969257
Energy: 0.5918193512716639
Energy: 0.3363633310673213
Energy: 0.3317278893179145
Energy: 0.06594797390858212
Energy: 0.06786144943320663
Energy: 0.014535415592837435
Energy: 0.32059371971141715
Energy: 0.4991633482008191
Energy: 0.5876407737209576
Energy: 0.6093410193867626
Energy: 0.06588972577461145
Energy: 0.013117028492336261
Energy: 0.3295228691371041
Energy: 0.6058835670045619
Energy: 0.28890466142044974
Energy: 0.3301566707607665
Energy: 0.32639765780600155
Energy: 0.013317542579486119
Energy: 0.065928642931604
Energy: 0.012881461745986877
Energy: 0.33118338986419554
Energy: 0.5924706416564677
Energy: 0.49902272022556476
Energy: 0.433533451869666
Energy: 0.0659444506373139
Energy: 0.06735110590759855

minimum gb energy = 0.012680026401450474 eV
minimum distance =  2.83405113176035 Angstroms
sigma value = 5


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

Energy: 0.6982786012934323
Energy: 0.7707580276064615
Energy: 0.7197774718660365
Energy: 0.7148672885878329
Energy: 0.7557369992384529
Energy: 0.7469782132429166
Energy: 0.7222123033695493
Energy: 0.642395624443231
Energy: 0.6903789023387024
Energy: 0.6872558727810177
Energy: 0.6866880697531759
Energy: 0.6994437549665196
Energy: 0.6652214102275739
Energy: 0.6784456639394346
Energy: 0.7298572866740622
Energy: 0.6955043196907778
Energy: 0.7286991267568645
Energy: 0.672765169583474
Energy: 0.6932668523177727
Energy: 0.7294751683709664
Energy: 0.6833180678515236
Energy: 0.6285836289468787
Energy: 0.6963102851928618
Energy: 0.6672882559617738
Energy: 0.724124605732635
Energy: 0.7284292346515898
Energy: 0.6725610590181478
Energy: 0.7024165074419116
Energy: 0.7197981380181977
Energy: 0.7927873445127741
Energy: 0.6957093438830098
Energy: 0.7101132244349159
Energy: 0.7214823240386208
Energy: 0.7360477882598078
Energy: 0.739714049914242
Energy: 0.6570192096078874
Energy: 0.7546022139278806
Energy: 0.6653850214840462
Energy: 0.6648341157691378
Energy: 0.7396286966818844
Energy: 0.6486640425313085
Energy: 0.7387529950724416
Energy: 0.7522030918902274
Energy: 0.6881716800072016
Energy: 0.7056739124594572
Energy: 0.6806481440613188
Energy: 0.7100411604570284
Energy: 0.6907059645533921
Energy: 0.7114235001651648
Energy: 0.6661337347598085
Energy: 0.6969916768664615
Energy: 0.71114442002953
Energy: 0.6974727559822865
Energy: 0.7274788614393866
Energy: 0.6660356701013171
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Energy: 0.7279005578205351
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Energy: 0.6999715028606982
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Energy: 0.7529823408939008
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Energy: 0.7189742326836764
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Energy: 0.7164661487911753
Energy: 0.7010475251066793
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Energy: 0.7532880098208539
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Energy: 0.6762853720728338
Energy: 0.6764595474587983
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Energy: 0.7658186698471402
Energy: 0.6668324322551634
Energy: 0.698954714479483
Energy: 0.7017178649675647
Energy: 0.6528672591630016
Energy: 0.667599614841687
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Energy: 0.7303022237957573
Energy: 0.6957242920215588
Energy: 0.7159418912438432
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Energy: 0.683441874584832
Energy: 0.6299176460823709
Energy: 0.6929823434677779
Energy: 0.6771969554650673
Energy: 0.7211510194202588
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Energy: 0.6723535550990775
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Energy: 0.7744648466394413
Energy: 0.6905119160325199
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Energy: 0.7138675901445456
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Energy: 0.7573150166599686
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Energy: 0.6980568302822999
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Energy: 0.7188614114560264
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Energy: 0.7040887775358415
Energy: 0.7166563900934488
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Energy: 0.6722085471144724
Energy: 0.6569125602469594
Energy: 0.6777015270573795
Energy: 0.703832260509997
Energy: 0.689462670140785
Energy: 0.7029850552497476
Energy: 0.6378675759392536
Energy: 0.74069363122452
Energy: 0.7066742798451242
Energy: 0.6839458272695852
Energy: 0.66912302700801
Energy: 0.7181004702579404
Energy: 0.7325557078450744
Energy: 0.7427332367736139
Energy: 0.6646755435536813
Energy: 0.6988397537668223
Energy: 0.6432013140849023
Energy: 0.71702398064764
Energy: 0.7083119465750686
Energy: 0.6387982107037968
Energy: 0.7195142829382882
Energy: 0.7316565337077134
Energy: 0.7588118842144582
Energy: 0.7013784412351147
Energy: 0.702535091209492
Energy: 0.6920980298022403
Energy: 0.7137204202820915
Energy: 0.6906553955799734
Energy: 0.6304776042478749
Energy: 0.6612460203487015
Energy: 0.6593398666907535
Energy: 0.7195061703134049
Energy: 0.7540641482733225
Energy: 0.6526247717154356
Energy: 0.7542373055598649
Energy: 0.7017766925343203
Energy: 0.6720295165528067
Energy: 0.7098023447353715
Energy: 0.6285085891851341
Energy: 0.6829059755036757
Energy: 0.7310208319545897
Energy: 0.6424125611565312
Energy: 0.635278021473929
Energy: 0.6827331634541662
Energy: 0.647629702768044
Energy: 0.7746066163228784
Energy: 0.7006426328051272
Energy: 0.6786944935417222
Energy: 0.6814395555902357
Energy: 0.6711954215142749
Energy: 0.7550120030045399
Energy: 0.7267791069249309
Energy: 0.7029975963724215
Energy: 0.7353792446656139
Energy: 0.6896823055942465
Energy: 0.7596906227497684

minimum gb energy = 0.619608036673906 eV
minimum distance =  2.53539151387574 Angstroms
sigma value = 401


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

Energy: 0.6991467863636104
Energy: 0.7002150630611341
Energy: 0.7245247900480817
Energy: 0.7908407066895805
Energy: 0.8037332360582056
Energy: 0.7345246718622028
Energy: 0.6864512386049888
Energy: 0.6379086652108948
Energy: 0.6575582284561156
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Energy: 0.7366490401059708
Energy: 0.6559083957273666
Energy: 0.720433337578418
Energy: 0.6595326745909034
Energy: 0.6968018233707838
Energy: 0.6954153876002795
Energy: 0.6873675142477282
Energy: 0.6272422695519858
Energy: 0.6593144068064314
Energy: 0.7328461757925846
Energy: 0.7273431645071787
Energy: 0.6897736410125259
Energy: 0.6932579835208398
Energy: 0.6961591287368794
Energy: 0.7492759757723524
Energy: 0.7439083038175128
Energy: 0.7128567803712378
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Energy: 0.7460932621061422
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Energy: 0.6751051412106617
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Energy: 0.6493454842280907
Energy: 0.6343811830564632
Energy: 0.632471370122244
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Energy: 0.6910051479815009
Energy: 0.6957902511000753
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Energy: 0.6612030468242892
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Energy: 0.7344623918701849
Energy: 0.6997587122737884
Energy: 0.6539335519927729
Energy: 0.6870815611654312
Energy: 0.696439011241056
Energy: 0.7516694457980395
Energy: 0.7378895662847869
Energy: 0.7455566489779873
Energy: 0.6681975292928531
Energy: 0.694984857545329
Energy: 0.7085036395948017
Energy: 0.6570027251238133
Energy: 0.6279499450774791
Energy: 0.6893679405815454
Energy: 0.7538076570664951
Energy: 0.6856444740046355
Energy: 0.6980765551310558
Energy: 0.6767216012635222
Energy: 0.6704842845296076
Energy: 0.7282310784736377
Energy: 0.6825753736107022
Energy: 0.6651235243660727
Energy: 0.6627394493649665
Energy: 0.6853354132294606
Energy: 0.6521525212970729
Energy: 0.7283091528611153
Energy: 0.6940628979234478
Energy: 0.6381743995999156
Energy: 0.6665305296315274
Energy: 0.68266941592289
Energy: 0.7487471697719958
Energy: 0.8119805355200551
Energy: 0.7339186062719824
Energy: 0.7115999231665366
Energy: 0.6499727908801044
Energy: 0.6529655114469244
Energy: 0.6538771188074086
Energy: 0.6619257213202169
Energy: 0.675372403115792
Energy: 0.6525478593998574
Energy: 0.7069403546308869
Energy: 0.6358591823735513
Energy: 0.6570496684552157
Energy: 0.6870177576323948
Energy: 0.7594779167498061
Energy: 0.7572408004586115
Energy: 0.7320930584279023
Energy: 0.7088498217207606
Energy: 0.6760904802417822
Energy: 0.6417440606544124
Energy: 0.6528390532585536
Energy: 0.6562926546618241
Energy: 0.6959222128938398
Energy: 0.7497925501490124
Energy: 0.6768964218786079
Energy: 0.6413873699440054
Energy: 0.7201079105858456
Energy: 0.6826088449652444
Energy: 0.7072859057998075
Energy: 0.6728131699164777
Energy: 0.6548028905914277
Energy: 0.7120932552246395
Energy: 0.6571087592895816
Energy: 0.6261164668091864
Energy: 0.686014559499932
Energy: 0.6538272711711912
Energy: 0.6923428566990705
Energy: 0.6553464208742124
Energy: 0.6486705012421032
Energy: 0.7089524886827356
Energy: 0.7294894173275208
Energy: 0.6622246435281232
Energy: 0.6983156383945903
Energy: 0.6912113168308128
Energy: 0.6982494048009682
Energy: 0.7504396283976071
Energy: 0.7522210967657577
Energy: 0.677668312648828
Energy: 0.6757943246372036
Energy: 0.6465667690109006
Energy: 0.6854123277050259
Energy: 0.6467062537125989
Energy: 0.6417229125801155
Energy: 0.7080710521851665
Energy: 0.7463047957134838
Energy: 0.7124106750414165
Energy: 0.6931439791641613
Energy: 0.6835255220217132
Energy: 0.6481169223638484
Energy: 0.7236988452795086
Energy: 0.6973822270975705
Energy: 0.6697263912784541
Energy: 0.6621569389643649
Energy: 0.6529663520801358
Energy: 0.6713215258208546
Energy: 0.6992767218242071
Energy: 0.7625277615797453
Energy: 0.6370127792424023
Energy: 0.681943336750191
Energy: 0.6695697414772891
Energy: 0.7473354935132238
Energy: 0.6825810479942949
Energy: 0.6990085756647508
Energy: 0.7045013403156418
Energy: 0.6443458577981743
Energy: 0.668917126102671
Energy: 0.6548098879143417
Energy: 0.6617519109400556
Energy: 0.6335761986546379
Energy: 0.6624632247202763
Energy: 0.6373968129876089
Energy: 0.6486964414270351

minimum gb energy = 0.6261164668091864 eV
minimum distance =  2.51810963840123 Angstroms
sigma value = 311


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

Energy: 0.7232486025034056
Energy: 0.661793649936147
Energy: 0.6971770183488945
Energy: 0.6598595844016548
Energy: 0.7025151023542343
Energy: 0.706640415807447
Energy: 0.7208022627053176
Energy: 0.6576615333522979
Energy: 0.6751954624943405
Energy: 0.6387751713665019
Energy: 0.6591503197679563
Energy: 0.6620661768241476
Energy: 0.6443445825825834
Energy: 0.709729243497772
Energy: 0.6806565357844214
Energy: 0.6605474027416616
Energy: 0.6766618409132542
Energy: 0.6720294116055657
Energy: 0.7298743446391439
Energy: 0.6965142720863099
Energy: 0.6754073885959885
Energy: 0.6943188655798408
Energy: 0.7025434829814945
Energy: 0.6835362656960646
Energy: 0.7015539255465935
Energy: 0.7139760623196892
Energy: 0.6720343006592728
Energy: 0.7145954708119475
Energy: 0.7199351939355738
Energy: 0.7365852528923913
Energy: 0.7184616665410537
Energy: 0.7055755118657259
Energy: 0.6830727016129071
Energy: 0.6586568596658928
Energy: 0.6912153101138595
Energy: 0.6430722968652841
Energy: 0.6838872407886868
Energy: 0.6459837282609894
Energy: 0.677423992032798
Energy: 0.6756300040025806
Energy: 0.6379041459332759
Energy: 0.6822999851681534
Energy: 0.7059664250772509
Energy: 0.7199518420355215
Energy: 0.7028904021936914
Energy: 0.6526622856564196
Energy: 0.6762205674370901
Energy: 0.7082615018084051
Energy: 0.6933456853391778
Energy: 0.638344685995216
Energy: 0.6619094114841131
Energy: 0.6401056779235407
Energy: 0.6885033705873451
Energy: 0.6381749117018288
Energy: 0.6416145958527032
Energy: 0.6823819748658833
Energy: 0.6946779448298201
Energy: 0.6593631943127127
Energy: 0.6602421235050442
Energy: 0.641845087035443
Energy: 0.6835862048087555
Energy: 0.663445693920524
Energy: 0.6858541111086677
Energy: 0.6443457118996917
Energy: 0.7118619042272999
Energy: 0.6797553537092902
Energy: 0.7007266606018934
Energy: 0.7082448103550051
Energy: 0.7131352291338903
Energy: 0.6668064469820001
Energy: 0.7333227744044511
Energy: 0.717847962230819
Energy: 0.6830176552518732
Energy: 0.7156013033808073
Energy: 0.7089079627319406
Energy: 0.7120241448163385
Energy: 0.6932693010974886
Energy: 0.6453923600309215
Energy: 0.6808698028669623
Energy: 0.6368554527716974
Energy: 0.693675038610896
Energy: 0.6674553931642714
Energy: 0.6350528985338729
Energy: 0.6895372737793503
Energy: 0.7062237211897436
Energy: 0.6903417910724874
Energy: 0.7024682711811171
Energy: 0.6765878761411329
Energy: 0.7188750452115867
Energy: 0.7077263605839962
Energy: 0.6912327981680936
Energy: 0.6447591675252082
Energy: 0.7240889052307788
Energy: 0.6857112444237952
Energy: 0.6488966415658588
Energy: 0.6389678169526407
Energy: 0.6366398859241867
Energy: 0.6649849348992237
Energy: 0.6693723321824674
Energy: 0.6825583674437665
Energy: 0.7023484261062166
Energy: 0.6721807164569347
Energy: 0.6688257574508372
Energy: 0.6671649602450986
Energy: 0.6767933355637402
Energy: 0.6638292285427521
Energy: 0.7065635180956396
Energy: 0.6436646040770743
Energy: 0.6858719407009133
Energy: 0.7037972073432699
Energy: 0.6657691050842751
Energy: 0.6721982135682688
Energy: 0.691680340755485
Energy: 0.7161500565070438
Energy: 0.7165621397627328
Energy: 0.7020274457113466
Energy: 0.7204820100092632
Energy: 0.7237561596497973
Energy: 0.6741863104052156
Energy: 0.6306259007184148
Energy: 0.6954018410560652
Energy: 0.640957899877397
Energy: 0.6765828167077119
Energy: 0.6743272648807177
Energy: 0.6576634660067576
Energy: 0.6655979349216119
Energy: 0.6995488867158811
Energy: 0.67284044721734
Energy: 0.7021253373000786
Energy: 0.649477608576487
Energy: 0.6981099784664715
Energy: 0.7043557749844047
Energy: 0.6858994225966608
Energy: 0.6385195682118235
Energy: 0.7143508739954769
Energy: 0.7131672735696544
Energy: 0.6735644612035577
Energy: 0.7414719861554758
Energy: 0.7093477567328081
Energy: 0.6347483776134094
Energy: 0.7084922482280227
Energy: 0.6652570407425055
Energy: 0.6745169809656394
Energy: 0.6334122362124447
Energy: 0.7009485158343224
Energy: 0.686766417435035
Energy: 0.6788120064932834
Energy: 0.642142919786947
Energy: 0.692956581385923
Energy: 0.6500494520928398
Energy: 0.6847040050098168
Energy: 0.6680392804163789
Energy: 0.6662811909168448
Energy: 0.6781132785504546
Energy: 0.7285228742003097
Energy: 0.7668644987867606
Energy: 0.7240797878258315
Energy: 0.6933391392786811
Energy: 0.7115354943064024
Energy: 0.7055520270293016
Energy: 0.7320260571947053
Energy: 0.6654844023084797
Energy: 0.7098452723786441
Energy: 0.6392288404751895
Energy: 0.7180965507366205
Energy: 0.6807565952295103
Energy: 0.664654147158034
Energy: 0.6952521782315648
Energy: 0.7068975980785942
Energy: 0.6839794311843337
Energy: 0.7037645436525009
Energy: 0.6895069315095183
Energy: 0.6768619386157737
Energy: 0.7033314087217575
Energy: 0.689877301627438
Energy: 0.6943112284628671
Energy: 0.7062808681827891
Energy: 0.639762769214092
Energy: 0.6821073478107155
Energy: 0.6662669127179387
Energy: 0.6743641670382607
Energy: 0.6525200081157794
Energy: 0.687156301588408
Energy: 0.6706370243314588
Energy: 0.6808694710810466
Energy: 0.6405025356392335
Energy: 0.679498206559284
Energy: 0.6971070427611381
Energy: 0.6844083369772465
Energy: 0.6510966333104415
Energy: 0.7046311672005503
Energy: 0.6481097281517073
Energy: 0.6600341950366855
Energy: 0.6692828421110086
Energy: 0.6698313750496243
Energy: 0.6865124081231004
Energy: 0.739959834146699
Energy: 0.7263754257164545
Energy: 0.7195796465583799
Energy: 0.7163301463276406
Energy: 0.7100402118766612
Energy: 0.7131405485032052
Energy: 0.6981297065177651
Energy: 0.6755216352152317
Energy: 0.7174715885367777
Energy: 0.7073765729765138
Energy: 0.721118015543787
Energy: 0.6966703299580724
Energy: 0.7089685937262797
Energy: 0.6765100806869829
Energy: 0.7020260909509002
Energy: 0.6655587313057333
Energy: 0.639773750928764
Energy: 0.6669989268233601
Energy: 0.6651478999009665
Energy: 0.6372286720896175
Energy: 0.6766161196781597
Energy: 0.6796233136248243
Energy: 0.6752924463737681
Energy: 0.6919583957844238
Energy: 0.711786220639833
Energy: 0.6734273498243067
Energy: 0.6542122027134846
Energy: 0.6860747326758218
Energy: 0.684507296133401
Energy: 0.6644248087724315
Energy: 0.6870450474435527
Energy: 0.7046377101702948
Energy: 0.6628315367262029
Energy: 0.688762139457396
Energy: 0.667268270769115
Energy: 0.6717023131223692
Energy: 0.6706259974713573
Energy: 0.6387610771969243
Energy: 0.6809611248719041
Energy: 0.6931701360536914
Energy: 0.6428179245629111
Energy: 0.6808232685458854
Energy: 0.6757013747795823
Energy: 0.7132261046894315
Energy: 0.7154222126910411
Energy: 0.7188709008723124
Energy: 0.723790770196509
Energy: 0.7438854180520407
Energy: 0.6989916175580408
Energy: 0.6957133904104325
Energy: 0.7078690583219447
Energy: 0.7026115236656556
Energy: 0.690079858359485
Energy: 0.7172812472561537
Energy: 0.7035084035287801
Energy: 0.692479909790839

minimum gb energy = 0.6306259007184148 eV
minimum distance =  2.53913687657989 Angstroms
sigma value = 39


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

Energy: 0.6262484964176364
Energy: 0.6958516911965116
Energy: 0.7538050979340523
Energy: 0.7624896973877987
Energy: 0.6932683660278364
Energy: 0.6867717263120744
Energy: 0.6235330583516102
Energy: 0.6510670746130117
Energy: 0.6716047004464403
Energy: 0.6916091600837483
Energy: 0.6404051097007746
Energy: 0.6399875688263877
Energy: 0.6654180942860705
Energy: 0.6760342699941971
Energy: 0.6688256835696144
Energy: 0.6332166272724749
Energy: 0.6829206163636939
Energy: 0.6396367666276616
Energy: 0.6409892141444414
Energy: 0.6599324477831753
Energy: 0.676818567854708
Energy: 0.646903655854602
Energy: 0.6479010063832548
Energy: 0.678147690824768
Energy: 0.682742639287634
Energy: 0.6389407140327579
Energy: 0.678486904212526
Energy: 0.6740966396592778
Energy: 0.6591831710772916
Energy: 0.6322770392370419
Energy: 0.6704412581040369
Energy: 0.667585232403267
Energy: 0.6463265802005649
Energy: 0.6813109817402953
Energy: 0.6541071691047964
Energy: 0.621672324031537
Energy: 0.6339880182354622
Energy: 0.6898559109921375
Energy: 0.7547658714033452
Energy: 0.6751654683526993
Energy: 0.6564602775807219
Energy: 0.6745194420397371
Energy: 0.7653676755730546
Energy: 0.6321816708520098
Energy: 0.7336514620682231
Energy: 0.7085337459451155
Energy: 0.6217457839457753
Energy: 0.6244934813239246
Energy: 0.674656622797629
Energy: 0.6231304855871416
Energy: 0.6736367043422471
Energy: 0.7447529669422921
Energy: 0.7273182164831035
Energy: 0.6923863850872999
Energy: 0.6793114165348366
Energy: 0.6748191947451035
Energy: 0.6234982148365801
Energy: 0.6734275735003961
Energy: 0.7368998925647601
Energy: 0.6551427519781519
Energy: 0.6393390179798704
Energy: 0.6893009975968932
Energy: 0.6755564566312087
Energy: 0.7653525878336025
Energy: 0.633368184145933
Energy: 0.6775126932793358
Energy: 0.6389943953895443
Energy: 0.6440319282690553
Energy: 0.6524508123495976
Energy: 0.6736744592887388
Energy: 0.646144267661053
Energy: 0.6329926194889871
Energy: 0.6764390781385896
Energy: 0.6814213272695557
Energy: 0.6394402768378135
Energy: 0.6562018823133866
Energy: 0.6747693673077068
Energy: 0.6588587056173941
Energy: 0.6334178622131829
Energy: 0.6628447685096047
Energy: 0.6323795076200022
Energy: 0.639172051281445
Energy: 0.6922014476071587
Energy: 0.6746999637234484
Energy: 0.6227386262370227
Energy: 0.6324208633133573
Energy: 0.6836135873770859
Energy: 0.690394636443793
Energy: 0.6763595187860237
Energy: 0.681465420040126
Energy: 0.6527290081624524
Energy: 0.764110254193148
Energy: 0.6569488776222755
Energy: 0.7373569665249783
Energy: 0.7082403643886284
Energy: 0.6225641087439605
Energy: 0.6220714656544346
Energy: 0.6753624898399451
Energy: 0.6221345659415658
Energy: 0.6712170077071914
Energy: 0.7461037234326346
Energy: 0.7078362197035961
Energy: 0.6221652811034829
Energy: 0.6215322689820428
Energy: 0.6758196388577434
Energy: 0.6222581132208087
Energy: 0.6973269929856355
Energy: 0.7363645440113602
Energy: 0.647718597871736
Energy: 0.663222123584559
Energy: 0.6789171986862177
Energy: 0.6232070784250806
Energy: 0.6506602389113022
Energy: 0.6715997893341947
Energy: 0.691577011436739
Energy: 0.6405895495755977
Energy: 0.6400309259074058
Energy: 0.665183935599541
Energy: 0.6763724431206143
Energy: 0.6685935053707527
Energy: 0.6327929003346111
Energy: 0.6714543044914889
Energy: 0.6396367458156649
Energy: 0.6411401670506575
Energy: 0.6599322806895286
Energy: 0.6767898053923364
Energy: 0.647165739861996
Energy: 0.6321152813224283
Energy: 0.6782074112671949
Energy: 0.680083556561127
Energy: 0.6389136686792009
Energy: 0.6786083519854353
Energy: 0.6771322527700486
Energy: 0.6593880516893259
Energy: 0.632258202495041
Energy: 0.6709359074941844
Energy: 0.6679192581141984
Energy: 0.6468599772373284
Energy: 0.6884029614883774
Energy: 0.6544520779476273
Energy: 0.621723673364328
Energy: 0.6320150599530371
Energy: 0.6898431372271991
Energy: 0.7547445273309955
Energy: 0.695740970630391
Energy: 0.6216965392359338
Energy: 0.6747310089474589
Energy: 0.7650588240696122
Energy: 0.6320337060352296
Energy: 0.7447436481004953
Energy: 0.7085820656989662
Energy: 0.6246035840721569
Energy: 0.624420958655238
Energy: 0.6749682044788199
Energy: 0.622707566573798
Energy: 0.6739039774480822
Energy: 0.7448795652256427
Energy: 0.7275237516130652
Energy: 0.6928262384689602
Energy: 0.6796167891866396
Energy: 0.6749547049820895
Energy: 0.6238136494129649
Energy: 0.6733252463176558
Energy: 0.7368474753828302
Energy: 0.6550602406732888
Energy: 0.6393929309404216
Energy: 0.6896644717651655
Energy: 0.6751080030345302
Energy: 0.7657083947624799
Energy: 0.6347137539350243
Energy: 0.6773865642717904
Energy: 0.6389467447224448
Energy: 0.6438223843373782
Energy: 0.6523613215147126
Energy: 0.6737191857429394
Energy: 0.6470549026940192
Energy: 0.633175575507878
Energy: 0.676380896770986
Energy: 0.6810164742803838
Energy: 0.6397014959117643
Energy: 0.6770345466191738
Energy: 0.6727803222949426
Energy: 0.6595909911466712
Energy: 0.6333697157568429
Energy: 0.6627770433880571
Energy: 0.6325835579427153
Energy: 0.6392419999233482
Energy: 0.6924138196958529
Energy: 0.6744256864504
Energy: 0.622977734927548
Energy: 0.6321216195658477
Energy: 0.6966868522727251
Energy: 0.6896134212464412
Energy: 0.6762419578742147
Energy: 0.6811367039703455
Energy: 0.6526355160966621
Energy: 0.7641476513362924
Energy: 0.6553136102299704
Energy: 0.7368685773666273
Energy: 0.7080432258774713
Energy: 0.62258200126315
Energy: 0.6221941425523447
Energy: 0.675392527146342
Energy: 0.6220892688717591
Energy: 0.6740741392568754
Energy: 0.7469097605066543
Energy: 0.7233994710592335
Energy: 0.6223194945746978
Energy: 0.6214868584578402
Energy: 0.675714651482476

minimum gb energy = 0.6214868584578402 eV
minimum distance =  2.53838581715635 Angstroms
sigma value = 21


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

Energy: 0.7831143423629093
Energy: 0.7653501035389383
Energy: 0.7575833596295514
Energy: 0.8304786248397684
Energy: 0.6584804908806099
Energy: 0.746012984225563
Energy: 0.7031402206309784
Energy: 0.6683355537888328
Energy: 0.6878529030280633
Energy: 0.7649115199018963
Energy: 0.744621336981089
Energy: 0.7507994536914758
Energy: 0.7480808172374476
Energy: 0.7274892589175764
Energy: 0.7452760595333965
Energy: 0.6426693062246819
Energy: 0.6553542988807313
Energy: 0.7630916475791999
Energy: 0.7531634536346513
Energy: 0.6498655798248149
Energy: 0.724759833042765
Energy: 0.6492353749813511
Energy: 0.7083726081180886
Energy: 0.6898625652737088
Energy: 0.6441179291689348
Energy: 0.6283874236632119
Energy: 0.6554958997164162
Energy: 0.7018682467554581
Energy: 0.6500361675364659
Energy: 0.6857437132911022
Energy: 0.626034619341058
Energy: 0.6247956162293142
Energy: 0.6668937203927521
Energy: 0.6531803086849575
Energy: 0.6463360108095512
Energy: 0.6277940746262993
Energy: 0.6301212258139546
Energy: 0.6834437853578652
Energy: 0.6797109157023976
Energy: 0.6346755980108272
Energy: 0.6717307644861701
Energy: 0.6387717284504344
Energy: 0.7786596364993242
Energy: 0.6312802187179807
Energy: 0.6757606991290086
Energy: 0.6447402160561074
Energy: 0.6445867943405528
Energy: 0.6285511120317914
Energy: 0.6339332616981793
Energy: 0.7174858642848677
Energy: 0.6238881185861795
Energy: 0.656177359794648
Energy: 0.6958728990606173
Energy: 0.6429343526975414
Energy: 0.6507125265394089
Energy: 0.6496588557093642
Energy: 0.6544241088995726
Energy: 0.6584898635460326
Energy: 0.7331456311698643
Energy: 0.7635357931895091
Energy: 0.8015023532690695
Energy: 0.7978884610715123
Energy: 0.7477836922189667
Energy: 0.7690181805282528
Energy: 0.7013741503987673
Energy: 0.6503833870222947
Energy: 0.7073788661576538
Energy: 0.6587657418359183
Energy: 0.7454275181814202
Energy: 0.7454045413339409
Energy: 0.6638130394934978
Energy: 0.6659696554381849
Energy: 0.6687741527667376
Energy: 0.6533087774713038
Energy: 0.6693430322427338
Energy: 0.6319797535910247
Energy: 0.69076226233934
Energy: 0.7644894030449786
Energy: 0.658235714156592
Energy: 0.7283984604112062
Energy: 0.8162840443643073
Energy: 0.7355082196384911
Energy: 0.7310613452497059
Energy: 0.7268616842087129
Energy: 0.7524420353789146
Energy: 0.6820013714955252
Energy: 0.7704743597587961
Energy: 0.704455677701838
Energy: 0.6628354028902499
Energy: 0.6544779562371679
Energy: 0.6971593089005444
Energy: 0.7051708893885107
Energy: 0.6563795996331802
Energy: 0.7114643098904591
Energy: 0.6582232772038171
Energy: 0.6809458630835966
Energy: 0.7185358920729136
Energy: 0.7231994934088419
Energy: 0.7538420545976908
Energy: 0.642739263614548
Energy: 0.6613032014565177
Energy: 0.753168905034371
Energy: 0.7609177768265271
Energy: 0.7432796260703846
Energy: 0.7373362840699937
Energy: 0.7130769964232466
Energy: 0.6862293392353614
Energy: 0.6922146019580041
Energy: 0.6937994064917136
Energy: 0.6593746475448192
Energy: 0.7126698089725308
Energy: 0.7911776358360126
Energy: 0.6503083567883143
Energy: 0.7060168063670604
Energy: 0.6812348406385731
Energy: 0.6541405291688314
Energy: 0.6375410383399432
Energy: 0.6885561183388043
Energy: 0.6347350490326789
Energy: 0.6278250007735864
Energy: 0.6436934572122988
Energy: 0.6439826606971346
Energy: 0.7448158142510113
Energy: 0.632924122760407
Energy: 0.6744088424870285
Energy: 0.67002216858318
Energy: 0.6279585244971099
Energy: 0.6318579483164304
Energy: 0.6988902549157906
Energy: 0.6629080719420469
Energy: 0.6409813359774832
Energy: 0.6285806067272934
Energy: 0.6413922731889408
Energy: 0.7530624088865537
Energy: 0.6244957411336447
Energy: 0.6977047314579395
Energy: 0.6504770350472745
Energy: 0.700613100022144
Energy: 0.6515496848578325
Energy: 0.6542018365949489
Energy: 0.6768668171393261
Energy: 0.6436085953733017
Energy: 0.6724490601676765
Energy: 0.7466950034807278
Energy: 0.7563979805370007
Energy: 0.6895327336140947
Energy: 0.6728389754511974
Energy: 0.6329583940174233
Energy: 0.7458750510018137
Energy: 0.6597149042093187
Energy: 0.6549687160523096
Energy: 0.7257989498260495
Energy: 0.712922743663196
Energy: 0.7024172165520188
Energy: 0.7554470800324606
Energy: 0.6407581520448843
Energy: 0.7445543183254789
Energy: 0.7315556979909404
Energy: 0.676595756721607
Energy: 0.7465124708179708
Energy: 0.7528519545353083
Energy: 0.7402909241335475
Energy: 0.6445069240952692
Energy: 0.7682452692453121
Energy: 0.8171702626772168
Energy: 0.7313170104288134
Energy: 0.7313707465965795
Energy: 0.7517990236823672
Energy: 0.7063352528441318
Energy: 0.6755905612218148
Energy: 0.7406065379369646
Energy: 0.6579432742428667
Energy: 0.6765397323982784
Energy: 0.68456675008074
Energy: 0.7232717312845168

minimum gb energy = 0.6238881185861795 eV
minimum distance =  2.50604652350011 Angstroms
sigma value = 113


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

Energy: 0.7562504948764417
Energy: 0.8324700841861125
Energy: 0.8009395163089973
Energy: 0.8176136232944671
Energy: 0.7894702861697634
Energy: 0.7886600119127238
Energy: 0.8365313925843664
Energy: 0.8209400646994757
Energy: 0.7908099597447972
Energy: 0.7652325238127369
Energy: 0.8239962062385213
Energy: 0.8098381687697196
Energy: 0.775708549771017
Energy: 0.806192173389323
Energy: 0.8375646427067798
Energy: 0.7678195586605218
Energy: 0.7660851115955446
Energy: 0.7811037721173573
Energy: 0.8034727262133261
Energy: 0.7810367331352948
Energy: 0.7920480084100175
Energy: 0.7468769608677394
Energy: 0.7987368618937818
Energy: 0.7751960314276214
Energy: 0.8062469798942136
Energy: 0.7951635294260929
Energy: 0.7620117997419866
Energy: 0.8010508418762985
Energy: 0.7358523987596083
Energy: 0.787205593228295
Energy: 0.7390334199518915
Energy: 0.8088005477060851
Energy: 0.8105312955397298
Energy: 0.7525980159734849
Energy: 0.7735474410797788
Energy: 0.7146797459928604
Energy: 0.7523534665709543
Energy: 0.7677282015173766
Energy: 0.7348298083391693
Energy: 0.7207495575820975
Energy: 0.7152039299865383
Energy: 0.7642212945752747
Energy: 0.7831291724051176
Energy: 0.7893208344967968
Energy: 0.6944909569905809
Energy: 0.7623620406122859
Energy: 0.7751918225142758
Energy: 0.7612893236629291
Energy: 0.7927282768079473
Energy: 0.7986644945237965
Energy: 0.6939078525416392
Energy: 0.7641627578290342
Energy: 0.7796666792979542
Energy: 0.7777783645957875
Energy: 0.7647356849758351
Energy: 0.7072067013026274
Energy: 0.6815032473506984
Energy: 0.7221234443081366
Energy: 0.7795752246407918
Energy: 0.7762752903017559
Energy: 0.7344806312714359
Energy: 0.7641918566827994
Energy: 0.7277071867552636
Energy: 0.7545327452133564
Energy: 0.732862942459335
Energy: 0.7427180801183785
Energy: 0.7248253080061311
Energy: 0.7992555730113928
Energy: 0.7528585563689941
Energy: 0.7262717032461589
Energy: 0.7569417564874584
Energy: 0.7176836813726877
Energy: 0.7655274735550931
Energy: 0.7174785239339369
Energy: 0.7237231080245259
Energy: 0.7430352507474454
Energy: 0.7124267923545221
Energy: 0.7019563057267229
Energy: 0.7639753622950901
Energy: 0.7777590665400457
Energy: 0.767107787968843
Energy: 0.7630023181319544
Energy: 0.7764773279308904
Energy: 0.7646460586274505
Energy: 0.7219824792240461
Energy: 0.6893887400900394
Energy: 0.7177868164672625
Energy: 0.7580874935012059
Energy: 0.7578858385944977
Energy: 0.7383776655385026
Energy: 0.6995814234170501
Energy: 0.7524723933841017
Energy: 0.7372952208009829
Energy: 0.7384731174434758
Energy: 0.7414595007110798
Energy: 0.676541311841604
Energy: 0.7278375292058668
Energy: 0.7372905712077306
Energy: 0.6904352667940047
Energy: 0.7547256308921686
Energy: 0.7537804613986097
Energy: 0.7068346493773942
Energy: 0.7417136840177255
Energy: 0.7405807187573973
Energy: 0.7528640513308676
Energy: 0.7443916943998871
Energy: 0.7466243138256808
Energy: 0.7734183967579541
Energy: 0.7535356610806023
Energy: 0.7611407461164685
Energy: 0.7865140173404788
Energy: 0.7484380258456149
Energy: 0.7511987447271187
Energy: 0.771722326770829
Energy: 0.7481459034259031
Energy: 0.7903391848162945
Energy: 0.7737440882063931
Energy: 0.7790168809006691
Energy: 0.7700831992419482
Energy: 0.7569589792978793
Energy: 0.7750854720924948
Energy: 0.7503022844578465
Energy: 0.753539896649529
Energy: 0.7427092411047319
Energy: 0.7788246295482364
Energy: 0.764945499613575
Energy: 0.7556839655982541
Energy: 0.8085003589321694
Energy: 0.7700836886567246
Energy: 0.8179362826562506
Energy: 0.8001425679770986
Energy: 0.7804809164025064
Energy: 0.8055207709314578
Energy: 0.7343733664777631
Energy: 0.7785192079560415
Energy: 0.779763671150655
Energy: 0.8083793079516154
Energy: 0.7956149588705386
Energy: 0.7932714822487418
Energy: 0.7846719859474305
Energy: 0.8284440568079882
Energy: 0.7753828271882
Energy: 0.7589558488504196
Energy: 0.830286646144874
Energy: 0.7949602939236708
Energy: 0.7488292133098393
Energy: 0.7573423168363379
Energy: 0.8157916865202351
Energy: 0.7610714430736322
Energy: 0.7639180023769367
Energy: 0.8121499441551913
Energy: 0.7983787685154303
Energy: 0.7433959007095796
Energy: 0.753079551712703
Energy: 0.7346202048741776
Energy: 0.7872800714982607
Energy: 0.8024313319163613
Energy: 0.8073064560079348
Energy: 0.8038149920712241
Energy: 0.7971231270509835
Energy: 0.7871002999007785
Energy: 0.8067078414787354
Energy: 0.8161188857893741
Energy: 0.7617712709655672
Energy: 0.8203717580883383
Energy: 0.8075141495125547
Energy: 0.7794361286139407
Energy: 0.7847674866954777
Energy: 0.7752386094539682
Energy: 0.7756291172881971
Energy: 0.7657737180374298
Energy: 0.7807247599216418
Energy: 0.7790280252469737
Energy: 0.7897762791349701
Energy: 0.7603701559559553
Energy: 0.7440970263301603
Energy: 0.8242660550010562
Energy: 0.7603170388512098
Energy: 0.7875849896819245
Energy: 0.796386137768684
Energy: 0.7635868295755178
Energy: 0.7748703006199184
Energy: 0.7329497551751225
Energy: 0.7812494918036423
Energy: 0.7593397695442986
Energy: 0.7303736669191264
Energy: 0.7708865679856683
Energy: 0.7643136014760896
Energy: 0.7715083495223414
Energy: 0.7150800281909221
Energy: 0.7597513394570513
Energy: 0.7531016828106519
Energy: 0.7505132350654244
Energy: 0.6991854950762031
Energy: 0.7277039355798032
Energy: 0.7652444327192622
Energy: 0.7749423326158964
Energy: 0.7656423547336859
Energy: 0.775685369307877
Energy: 0.7588534314317523
Energy: 0.7760255363320302
Energy: 0.7435890182826587
Energy: 0.7458065170917004
Energy: 0.7463526123011008
Energy: 0.6921728183159556
Energy: 0.7241973717033015
Energy: 0.7793565178635036
Energy: 0.7830480547069725
Energy: 0.7116730734162885
Energy: 0.6971755591690486
Energy: 0.680205556928062
Energy: 0.7619732830657222
Energy: 0.7874290676478539
Energy: 0.7277119118583919
Energy: 0.7443469442536975
Energy: 0.7642013590120181
Energy: 0.777773811926829
Energy: 0.7381602020310509
Energy: 0.7333407366159927
Energy: 0.7504947994515551
Energy: 0.6927640990767662
Energy: 0.7816447613543669
Energy: 0.7581229367133334
Energy: 0.7316782786340712
Energy: 0.7520475811115862
Energy: 0.7170659448604527
Energy: 0.7494043607353176
Energy: 0.7174188032159761
Energy: 0.7014620434734957
Energy: 0.7432277058719844
Energy: 0.7174271541008681
Energy: 0.697643416879477
Energy: 0.7035348314904301
Energy: 0.7778607524866024
Energy: 0.7491209776844368
Energy: 0.7549114721504252
Energy: 0.7749216874290685
Energy: 0.7052354651286569
Energy: 0.770298428486931
Energy: 0.6874690528685621
Energy: 0.731378827812286
Energy: 0.7593056037722087
Energy: 0.7700470201531294
Energy: 0.7391860433871686
Energy: 0.689893822839055
Energy: 0.7671652909514889
Energy: 0.7393937527754428
Energy: 0.7922268198851597
Energy: 0.6959460753742711
Energy: 0.6763394330389562
Energy: 0.7464038351442874
Energy: 0.7362885103772069
Energy: 0.6826954015176806
Energy: 0.7470380517564257
Energy: 0.7405720285995541
Energy: 0.702615847261228
Energy: 0.6938077266198048
Energy: 0.7397700778528059
Energy: 0.7558798624472118
Energy: 0.7446953989207057
Energy: 0.7497517762853595
Energy: 0.72717799250443
Energy: 0.7671764109097094
Energy: 0.7474446894035699
Energy: 0.7638457415221888
Energy: 0.7442802792845367
Energy: 0.7284264260219732
Energy: 0.786679789743419
Energy: 0.7477554504618368
Energy: 0.7896729643432601
Energy: 0.7765705667188381
Energy: 0.7505957178110072
Energy: 0.775753853238611
Energy: 0.7556183559905041
Energy: 0.7476478631587495
Energy: 0.7449558532394607
Energy: 0.7536049632887654
Energy: 0.7929811199122213
Energy: 0.7738761311561957
Energy: 0.7600170993686804
Energy: 0.8068836531305763
Energy: 0.8165455775957283
Energy: 0.7403926792856441
Energy: 0.8389317208008182
Energy: 0.7963941338097574
Energy: 0.7854711970832742
Energy: 0.7893070832164092
Energy: 0.750058292646139
Energy: 0.7845675238963996
Energy: 0.7760899379305695
Energy: 0.8074502804500682
Energy: 0.7984192534979467
Energy: 0.7970242737475254
Energy: 0.8126583623245822
Energy: 0.8283696641018766
Energy: 0.7567611296618558
Energy: 0.7551667652414394
Energy: 0.8223818304370274
Energy: 0.7887857438429507
Energy: 0.7587909020238641
Energy: 0.8229901971540206
Energy: 0.8154610426318368
Energy: 0.7624656960924046
Energy: 0.762475390994293
Energy: 0.8218988133395149
Energy: 0.7741156518731104
Energy: 0.7506961361150545
Energy: 0.7883005305810744
Energy: 0.7643937415500628
Energy: 0.7756654824698986
Energy: 0.801913342520404
Energy: 0.8156584984721739
Energy: 0.7890775960920604
Energy: 0.7540187734118312
Energy: 0.8153370402313935

minimum gb energy = 0.6763394330389562 eV
minimum distance =  2.47263540295357 Angstroms
sigma value = 365


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

Energy: 0.7147285661779256
Energy: 0.7814975395742776
Energy: 0.7105607601952764
Energy: 0.6891620894566797
Energy: 0.68948419426551
Energy: 0.71053483981356
Energy: 0.6888864607282928
Energy: 0.6981923763207122
Energy: 0.8204790957948594
Energy: 0.6898335390616755
Energy: 0.690613118288799
Energy: 0.6898751644479707
Energy: 0.6892292893781105
Energy: 0.8202932032454331
Energy: 0.6979894844064729
Energy: 0.7775413876233446
Energy: 0.6886710874241118
Energy: 0.6892712261810819
Energy: 0.6886438179306933
Energy: 0.6878665568708555
Energy: 0.6892810899411725
Energy: 0.7002763631324356
Energy: 0.7815901782853456
Energy: 0.6897541699402724
Energy: 0.6897660729274366
Energy: 0.6886377223519262
Energy: 0.6885058047916109
Energy: 0.6906921647100438
Energy: 0.658729083944262
Energy: 0.8213132817548782
Energy: 0.6417518340760616
Energy: 0.8205681548484461
Energy: 0.690873102647047
Energy: 0.643174140343268
Energy: 0.8212437555041966
Energy: 0.7039362340117573
Energy: 0.7814710758424226
Energy: 0.6898152578862851
Energy: 0.6893960925465966
Energy: 0.6894085996724156
Energy: 0.6911690621790181
Energy: 0.6893061532390544
Energy: 0.697377682928586
Energy: 0.820306568141855
Energy: 0.6883972191487866
Energy: 0.6896705487226469
Energy: 0.6889906800322356
Energy: 0.6883950112294399
Energy: 0.8199537895053128
Energy: 0.6970273330956475
Energy: 0.8363177701051021
Energy: 0.6891951420890042
Energy: 0.6890549349052704
Energy: 0.688424292978454
Energy: 0.6882860373512374
Energy: 0.8203976067835992
Energy: 0.702284666575365
Energy: 0.7810914678097054
Energy: 0.6900490008056644
Energy: 0.6908716163332752
Energy: 0.6934436802440916
Energy: 0.6897087244033993
Energy: 0.6897045241009662
Energy: 0.7303977437686336
Energy: 0.8212215084367841
Energy: 0.6421953042750796
Energy: 0.8204249320603049
Energy: 0.8211509509003635
Energy: 0.6430856559643737
Energy: 0.8207713268582454
Energy: 0.7015999200560402
Energy: 0.7812446266007816
Energy: 0.6906899117963056
Energy: 0.6902219219912097
Energy: 0.6900649967888085
Energy: 0.6903378927438744
Energy: 0.6901871697566683
Energy: 0.69736763923368
Energy: 0.7774648400284714
Energy: 0.6886394865371144
Energy: 0.6889698936708389
Energy: 0.6883564881554408
Energy: 0.6880607049392423
Energy: 0.820264106662657
Energy: 0.6973692151103279
Energy: 0.8207654760667605
Energy: 0.6888898386261102
Energy: 0.6900176197889505
Energy: 0.6889528044574886
Energy: 0.6882380854914597
Energy: 0.8199440114449372
Energy: 0.7050849156765394
Energy: 0.7813199839274018
Energy: 0.6890051756035795
Energy: 0.6894792809113367
Energy: 0.6904709431628402
Energy: 0.6901542051151762
Energy: 0.6885588070784086
Energy: 0.6586673993382554
Energy: 0.8212088311730374
Energy: 0.6420127422196816
Energy: 0.690797200742797
Energy: 0.6907522381149586
Energy: 0.6906920712638519
Energy: 0.8210621229451947
Energy: 0.6969727203937797
Energy: 0.7773934141547042
Energy: 0.6892969257685568
Energy: 0.6896286954015977
Energy: 0.6890584130723496
Energy: 0.6881275415705844
Energy: 0.691435012895294
Energy: 0.6969720847441889
Energy: 0.7777045313146934
Energy: 0.68963663072619
Energy: 0.6895630041837852
Energy: 0.6884965722414574
Energy: 0.6886139978529097
Energy: 0.689253415915634
Energy: 0.6584726274387354
Energy: 0.821200330135596
Energy: 0.6899453046584447
Energy: 0.6912485151978581
Energy: 0.6902626146095572
Energy: 0.6894585254468285
Energy: 0.819849101030826
Energy: 0.7018554786534726
Energy: 0.7813035970461268
Energy: 0.6907246830492849
Energy: 0.6890223416477302
Energy: 0.6898140021826953
Energy: 0.6896273879116978
Energy: 0.6889978563042283
Energy: 0.6983386024769267
Energy: 0.8204143612947598
Energy: 0.6888344060034771
Energy: 0.6900075114706841
Energy: 0.6895145895633542
Energy: 0.6887404016305835
Energy: 0.8198431514388016

minimum gb energy = 0.6417518340760616 eV
minimum distance =  2.48902403728834 Angstroms
sigma value = 23