Model name: model_name=MEAM_LAMMPS_KoShimLee_2011_AlH__MO_127847080751_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.044650807976723
cohesive_energy=3.3602642529751923
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Atom deletion cutoff distance (as fraction of lattice parameter): cutoff_distance=0.5
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010383043553354161
Energy: 0.010867460239378443
Energy: 0.7158836634106613
Energy: 0.010867460238877405
Energy: 0.010867460238877405
Energy: 0.5098363182409652
Energy: 0.010867460238877405
Energy: 0.5098363182409652
Energy: 0.7158836634106613
Energy: 0.010867460238877405
Energy: 0.010383043553354161
Energy: 0.010867460238877405
Energy: 0.010867460239378443
Energy: 0.5098363182409652
Energy: 0.010867460238877405
Energy: 0.5098363182409652

minimum gb energy = 0.010383043553354161 eV
minimum distance =  2.70790585917735 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: 0.570451735750806
Energy: 0.5617806360591412
Energy: 0.5993748059699553
Energy: 0.5617806360597489
Energy: 0.5595508368745016
Energy: 0.5699675647799476
Energy: 0.5405104234426763
Energy: 0.5699675647799476
Energy: 0.5398582359097591
Energy: 0.5539272699623877
Energy: 0.5533668350855437
Energy: 0.5539272699623877
Energy: 0.5431464176664489
Energy: 0.5730048946715272
Energy: 0.5444383077884776
Energy: 0.5730048946715272
Energy: 0.544862741146017
Energy: 0.5657680701451142
Energy: 0.5521070190600293
Energy: 0.5657680701445065
Energy: 0.539089270063539
Energy: 0.6251887591203763
Energy: 0.5356847122649576
Energy: 0.6251887591209838
Energy: 0.5609085827640494
Energy: 0.5521674480088179
Energy: 0.5394744940816509
Energy: 0.5521674480088179
Energy: 0.5242105728660384
Energy: 0.5659070237706706
Energy: 0.5368624208332875
Energy: 0.5659070237706706
Energy: 0.5442293688780141
Energy: 0.5506975656716862
Energy: 0.5515400935179168
Energy: 0.5506975656716862
Energy: 0.5396377385848111
Energy: 0.553210365222122
Energy: 0.5247994215034113
Energy: 0.553210365222122
Energy: 0.5424175395225306
Energy: 0.5680328687384888
Energy: 0.5441813368014249
Energy: 0.5680328687384888
Energy: 0.5754014757519541
Energy: 0.5658486780401948
Energy: 0.5447653803153342
Energy: 0.5658486780401948
Energy: 0.5394718797726226
Energy: 0.5541532936435544
Energy: 0.561313816718089
Energy: 0.5541532936435544
Energy: 0.5520892080305927
Energy: 0.5620478494401523
Energy: 0.5431391758308962
Energy: 0.5620478494401523
Energy: 0.5521229049911115
Energy: 0.5668506303940711
Energy: 0.5483582879051742
Energy: 0.5668506303946789
Energy: 0.5558784281384704
Energy: 0.5619162633698441
Energy: 0.552211351892039
Energy: 0.5619162633692364
Energy: 0.5539290666234582
Energy: 0.5538427387132742
Energy: 0.5306788297979373
Energy: 0.5538427387132742
Energy: 0.5405259246246201
Energy: 0.5623915791292554
Energy: 0.572902943840989
Energy: 0.5623915791292554
Energy: 0.5730249261222822
Energy: 0.5641795391242331
Energy: 0.5457590088545428
Energy: 0.5641795391242331
Energy: 0.5514864692216064
Energy: 0.6248520544104407
Energy: 0.5452536995602723
Energy: 0.624852054409833
Energy: 0.5401309827375501
Energy: 0.5538158972848769
Energy: 0.5296363151547334
Energy: 0.5538158972848769
Energy: 0.5443417574179947
Energy: 0.6363549532004736
Energy: 0.5519672358216955
Energy: 0.636354953199866
Energy: 0.5524874010040084
Energy: 0.5683700728756289
Energy: 0.5340010972222853
Energy: 0.5683700728750213
Energy: 0.5481484001709437
Energy: 0.5535410127331005
Energy: 0.5390721971015713
Energy: 0.5535410127337081
Energy: 0.5395062377752461
Energy: 0.6273240275762437
Energy: 0.5617568823133983
Energy: 0.627324027575636
Energy: 0.5467673228210449
Energy: 0.5657766682192937
Energy: 0.5450413889112319
Energy: 0.5657766682199012
Energy: 0.5567513340636987
Energy: 0.622075209642402
Energy: 0.5440991489697983
Energy: 0.6220752096417943
Energy: 0.5361772684405856
Energy: 0.5521725774419078
Energy: 0.5596957870524316
Energy: 0.5521725774419078
Energy: 0.5588503928062675
Energy: 0.5669007042763924
Energy: 0.5511697613494237
Energy: 0.5669007042763924
Energy: 0.5708530016176314
Energy: 0.5624331121880305
Energy: 0.575765253797566
Energy: 0.5624331121880305
Energy: 0.554722136633039
Energy: 0.5605307822636783
Energy: 0.5395374532631224
Energy: 0.5605307822636783
Energy: 0.5461822668441786
Energy: 0.5563154243057847
Energy: 0.5520069440793078
Energy: 0.5563154243057847
Energy: 0.544720640023348
Energy: 0.5746212337870783
Energy: 0.546072539193368
Energy: 0.5746212337870783

minimum gb energy = 0.5242105728660384 eV
minimum distance =  2.57595628834552 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: 0.594740206182416
Energy: 0.6040395373017897
Energy: 0.6138287608206331
Energy: 0.6040395373031754
Energy: 0.5747300544904401
Energy: 0.5943213636568352
Energy: 0.5582308862621476
Energy: 0.5943213636582209
Energy: 0.5695478544331473
Energy: 0.6069243759121072
Energy: 0.589546776086965
Energy: 0.6069243759128
Energy: 0.5601601286081304
Energy: 0.6035219229061051
Energy: 0.5582122798820895
Energy: 0.6035219229061051
Energy: 0.5602414326801856
Energy: 0.5898779092420205
Energy: 0.5740598439169458
Energy: 0.5898779092420205
Energy: 0.6040998587027376
Energy: 0.5913317991221454
Energy: 0.5685836522435163
Energy: 0.5913317991228382
Energy: 0.5747545755257856
Energy: 0.6623111754221102
Energy: 0.5648444491372631
Energy: 0.6623111754214173
Energy: 0.5457414520394971
Energy: 0.6049570183633007
Energy: 0.5626910918071932
Energy: 0.6049570183633007
Energy: 0.5598070297402531
Energy: 0.6711836541825851
Energy: 0.5475184397291295
Energy: 0.6711836541811994
Energy: 0.565114976733267
Energy: 0.6048972104647903
Energy: 0.5791452085947186
Energy: 0.6048972104640974
Energy: 0.5749032925782479
Energy: 0.5856083519663405
Energy: 0.5583562664563336
Energy: 0.5856083519670334
Energy: 0.5524768001429405
Energy: 0.5963165768136519
Energy: 0.5897665818861866
Energy: 0.5963165768136519
Energy: 0.5797281543596005
Energy: 0.5875499752881492
Energy: 0.5646837844629348
Energy: 0.5875499752881492
Energy: 0.579745206909024
Energy: 0.587541595342171
Energy: 0.5769683610445574
Energy: 0.587541595341478
Energy: 0.5525191569456603
Energy: 0.5963121304028084
Energy: 0.5712598935262112
Energy: 0.5963121304035012
Energy: 0.574848097223375
Energy: 0.5858739717763829
Energy: 0.5582137002399674
Energy: 0.5858739717763829
Energy: 0.5651134491769756
Energy: 0.6048930541657332
Energy: 0.5596924995525918
Energy: 0.6048930541664261
Energy: 0.5598173720874539
Energy: 0.6712305746167353
Energy: 0.5475390709199035
Energy: 0.6712305746188137
Energy: 0.5457269177601395
Energy: 0.606784299583495
Energy: 0.5610122705143185
Energy: 0.6067842995821093
Energy: 0.5747418778688416
Energy: 0.659185370959934
Energy: 0.5608866444882558
Energy: 0.659185370959241
Energy: 0.6064008691770533
Energy: 0.5898441169336699
Energy: 0.553700966033874
Energy: 0.5898441169343627
Energy: 0.5602330028773884
Energy: 0.58986634622595
Energy: 0.5688996615999634
Energy: 0.5898663462266428
Energy: 0.5600763055769261
Energy: 0.6035636987665025
Energy: 0.55831161192509
Energy: 0.6035636987678882
Energy: 0.5694985388671107
Energy: 0.6068480539770417
Energy: 0.5692206997908482
Energy: 0.6068480539756561
Energy: 0.5747984489519288
Energy: 0.5950290359120006
Energy: 0.5581124144779205
Energy: 0.5950290359133863
Energy: 0.594740206181723
Energy: 0.6040395373017897
Energy: 0.6120863011435734
Energy: 0.6040395373031754
Energy: 0.5747300544904401
Energy: 0.5943213636568352
Energy: 0.5582308862621476
Energy: 0.5943213636582209
Energy: 0.5695478544324544
Energy: 0.6069243759121072
Energy: 0.5785522183462529
Energy: 0.6069243759128
Energy: 0.5601601286088231
Energy: 0.6035219229061051
Energy: 0.5585678825338567
Energy: 0.6035219229054123

minimum gb energy = 0.5457269177601395 eV
minimum distance =  2.52270323355821 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: 0.6085075767591659
Energy: 0.6264344649129884
Energy: 0.6762106721908903
Energy: 0.6264344649129884
Energy: 0.5801585712300306
Energy: 0.6275943445986858
Energy: 0.5876164675571612
Energy: 0.6275943445986858
Energy: 0.578881622614012
Energy: 0.6525324688460238
Energy: 0.5883724723011079
Energy: 0.6525324688452184
Energy: 0.5878703191651918
Energy: 0.6439561968995167
Energy: 0.5791075014085993
Energy: 0.6439561968995167
Energy: 0.5799434124698035
Energy: 0.6281574102834206
Energy: 0.5820380496830715
Energy: 0.6281574102834206
Energy: 0.6379867483257265
Energy: 0.6534106663895044
Energy: 0.5930140934882895
Energy: 0.6534106663895044
Energy: 0.5787486052694377
Energy: 0.6914225030666062
Energy: 0.5936418740528985
Energy: 0.6914225017415048
Energy: 0.6809593625536893
Energy: 0.6281440148474227
Energy: 0.5708950035485669
Energy: 0.6281440148474227
Energy: 0.5936214331704044
Energy: 0.609336276395285
Energy: 0.5786954347238824
Energy: 0.609336276395285
Energy: 0.5979138922692306
Energy: 0.653371888000462
Energy: 0.5761349551003705
Energy: 0.6533718880012674
Energy: 0.579161364046978
Energy: 0.625666637037486
Energy: 0.5856504705667483
Energy: 0.625666637037486
Energy: 0.5709744093939472
Energy: 0.6265299546850787
Energy: 0.5856360304200795
Energy: 0.6265299546850787
Energy: 0.588367473881657
Energy: 0.6452558512243715
Energy: 0.5758315511738132
Energy: 0.6452558512243715
Energy: 0.5938556492386486
Energy: 0.6405297235836083
Energy: 0.5803625119779571
Energy: 0.6405297235844135
Energy: 0.6290329319222917
Energy: 0.6287130327400947
Energy: 0.5699518564732282
Energy: 0.6287130327400947
Energy: 0.5786287417003112
Energy: 0.5893017176464865
Energy: 0.5808669429536921
Energy: 0.5893017176464865
Energy: 0.5696252051995105
Energy: 0.6525780624774874
Energy: 0.5670829929673953
Energy: 0.6525780624774874
Energy: 0.5789445694926282
Energy: 0.6152779815435626
Energy: 0.5804565384475394
Energy: 0.6152779815435626
Energy: 0.589689987237142
Energy: 0.6450764806931975
Energy: 0.5807998196731732
Energy: 0.6450764806931975
Energy: 0.592990453464222
Energy: 0.6535305651333282
Energy: 0.5862240945409826
Energy: 0.6535305651333282
Energy: 0.5912239812225509
Energy: 0.6272827877225002
Energy: 0.5857279157917967
Energy: 0.6272827877225002
Energy: 0.6095552227237265
Energy: 0.6276195991065054
Energy: 0.6359065055171705
Energy: 0.6276195991065054
Energy: 0.5787663040309442
Energy: 0.6151217584523485
Energy: 0.5862730595599143
Energy: 0.6151217584531539
Energy: 0.5789207756605983
Energy: 0.6518107561055834
Energy: 0.5970962959536431
Energy: 0.6518107561055834
Energy: 0.585968151139215
Energy: 0.6244302253966317
Energy: 0.5788375850121773
Energy: 0.6244302253966317

minimum gb energy = 0.5670829929673953 eV
minimum distance =  2.52974267684073 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: 0.6369382926412435
Energy: 0.6950342879227629
Energy: 0.7427399313970147
Energy: 0.6950342879218022
Energy: 0.6237982598052929
Energy: 0.6613814535454632
Energy: 0.6035958029420507
Energy: 0.6613814535464239
Energy: 0.5910013846490902
Energy: 0.6835513542239932
Energy: 0.6031070681128001
Energy: 0.6835513542230324
Energy: 0.5963137430762375
Energy: 0.6998301322221537
Energy: 0.5960051617331078
Energy: 0.6998301322221537
Energy: 0.633707475021512
Energy: 0.6457596188225868
Energy: 0.5974017874196099
Energy: 0.6457596188225868
Energy: 0.5973715646249891
Energy: 0.6859686839257512
Energy: 0.6100330947088529
Energy: 0.6859686839257512
Energy: 0.5964858132774643
Energy: 0.5949657732099155
Energy: 0.595559587606137
Energy: 0.5949657732099155
Energy: 0.6264021363879594
Energy: 0.6860040997372912
Energy: 0.609893287825838
Energy: 0.6860040997372912
Energy: 0.5963358694093677
Energy: 0.6469677907790198
Energy: 0.6116912182609243
Energy: 0.6469677907790198
Energy: 0.5963655634214816
Energy: 0.6954009254126856
Energy: 0.5973795358482066
Energy: 0.6954009254126856
Energy: 0.5963059202166036
Energy: 0.6813826563028647
Energy: 0.6088866581092982
Energy: 0.6813826563028647
Energy: 0.5964727014803937
Energy: 0.6579598138129934
Energy: 0.6097075534827194
Energy: 0.6579598138129934
Energy: 0.5988391105744915
Energy: 0.6842226405356232
Energy: 0.6181822800397428
Energy: 0.6842226405356232
Energy: 0.6238958128407011
Energy: 0.6707488260714958
Energy: 0.5970780981568666
Energy: 0.6707488260714958
Energy: 0.5991175661723728
Energy: 0.6857551931818632
Energy: 0.635143528394359
Energy: 0.6857551931818632
Energy: 0.5963281482865276
Energy: 0.695353877287822
Energy: 0.5961129346242984
Energy: 0.695353877287822
Energy: 0.6286194455623537
Energy: 0.6721810302976173
Energy: 0.6031117627195367
Energy: 0.6721810302976173
Energy: 0.6092148203595974
Energy: 0.6958664899367357
Energy: 0.5982163331747387
Energy: 0.6958664899367357
Energy: 0.6100354535787197
Energy: 0.6450884100582851
Energy: 0.6040432145809651
Energy: 0.6450884100582851
Energy: 0.6586982631967874
Energy: 0.6839282702176991
Energy: 0.609839333963686
Energy: 0.6839282702176991
Energy: 0.5962959148723455
Energy: 0.6632066025843287
Energy: 0.6100621493260161
Energy: 0.6632066025833679

minimum gb energy = 0.5910013846490902 eV
minimum distance =  2.57154314578614 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.6034990852392688
Energy: 0.7081744246453666
Energy: 0.679801032461152
Energy: 0.7081744246453666
Energy: 0.5929380719343307
Energy: 0.6015946302024521
Energy: 0.588016941713275
Energy: 0.6015946305741948
Energy: 0.5880638518763092
Energy: 0.6727864849052856
Energy: 0.5951240404752313
Energy: 0.6727864849052856
Energy: 0.6031846769698715
Energy: 0.6585486503029804
Energy: 0.6778922152388163
Energy: 0.6585486503029804
Energy: 0.6761828367663537
Energy: 0.5928175294714387
Energy: 0.6126959147259096
Energy: 0.5928175294714387
Energy: 0.5903448207844822
Energy: 0.7331019626516431
Energy: 0.5886165695881103
Energy: 0.7331019626516431
Energy: 0.6129183315924998
Energy: 0.6571165837573448
Energy: 0.5876571643313507
Energy: 0.6571165837573448
Energy: 0.6726235660163067
Energy: 0.7087514197664225
Energy: 0.6033114501335172
Energy: 0.7087514197664225
Energy: 0.5952115349933305
Energy: 0.6597681401900277
Energy: 0.593128687891292
Energy: 0.6597681401900277
Energy: 0.6949458495425419
Energy: 0.6733223231930877
Energy: 0.59023270814627
Energy: 0.6733223231930877
Energy: 0.6292290089568259
Energy: 0.7081436333657488
Energy: 0.7567907377877517
Energy: 0.708143633366937
Energy: 0.5881715471714342
Energy: 0.6073204299777586
Energy: 0.6890880307449703
Energy: 0.6073204299765703
Energy: 0.6794532362890954
Energy: 0.6730328015623229
Energy: 0.5876004492529943
Energy: 0.6730328015623229
Energy: 0.5878165555695486
Energy: 0.6630551683275362
Energy: 0.6035170071571803
Energy: 0.6630551683275362
Energy: 0.5878670606362959
Energy: 0.7077598065876909
Energy: 0.6719733264447738
Energy: 0.7077598065888789
Energy: 0.5952773285158326
Energy: 0.6730844006226124
Energy: 0.5903555444792
Energy: 0.6730844006214242
Energy: 0.5951135671229743
Energy: 0.6258129998516856
Energy: 0.687370856031526
Energy: 0.6258129998516856

minimum gb energy = 0.5876004492529943 eV
minimum distance =  2.61425333171584 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: 0.6590953986074645
Energy: 0.6609086082306492
Energy: 0.7643146112684285
Energy: 0.6609086082306492
Energy: 0.6847512724332905
Energy: 0.6289715482939134
Energy: 0.6007447269547941
Energy: 0.6289715482945866
Energy: 0.6902130602003196
Energy: 0.6580041897526321
Energy: 0.6043684889190675
Energy: 0.6580041897526321
Energy: 0.599814638314655
Energy: 0.6053169796806176
Energy: 0.6497100509054305
Energy: 0.6053169796812905
Energy: 0.7020337462213632
Energy: 0.674749481279517
Energy: 0.6176365889882889
Energy: 0.6747494812788439
Energy: 0.6045575688654922
Energy: 0.6132401779427112
Energy: 0.6856161124834402
Energy: 0.6132401779427112
Energy: 0.6014424741701688
Energy: 0.6545851104370354
Energy: 0.6045925788954019
Energy: 0.6545851104377083
Energy: 0.6843404500658055
Energy: 0.6047248095728915
Energy: 0.6045481447570199
Energy: 0.6047248095735644
Energy: 0.6047730469039058
Energy: 0.6768959765497014
Energy: 0.6970608634097168
Energy: 0.6768959765497014
Energy: 0.7454932372464423
Energy: 0.6324877621620981
Energy: 0.6026672090699272
Energy: 0.6324877621620981
Energy: 0.6005877284651148
Energy: 0.6053899176380426
Energy: 0.6916403940949394
Energy: 0.6053899176387154
Energy: 0.6052587687061225
Energy: 0.6523483516146247
Energy: 0.6061091429915277
Energy: 0.6523483516146247
Energy: 0.6855552748472702
Energy: 0.6051053443638069
Energy: 0.604575307684647
Energy: 0.605105344363134
Energy: 0.6025828792894572
Energy: 0.609957393634853
Energy: 0.6847458565496484
Energy: 0.6099579254721176
Energy: 0.6523051081394504
Energy: 0.6544692296736231
Energy: 0.6053471358036662
Energy: 0.6544692296736231
Energy: 0.6848130675889403
Energy: 0.6047531133205643
Energy: 0.6997086686567996
Energy: 0.6047531133212372
Energy: 0.6045883151072259
Energy: 0.6429696154974724
Energy: 0.698160240926755
Energy: 0.6429696154974724
Energy: 0.6837277930083032
Energy: 0.6587708950630452
Energy: 0.6045017353496784
Energy: 0.6587708950630452
Energy: 0.600986339492493
Energy: 0.6582440102269924
Energy: 0.6457248929366038
Energy: 0.6582440102276653
Energy: 0.6005949092516392
Energy: 0.605271684036467
Energy: 0.6000509652552996
Energy: 0.6052716840357942
Energy: 0.648911205451285
Energy: 0.6589435777806983
Energy: 0.6905555638299186
Energy: 0.6589435777813712
Energy: 0.6016883897202658
Energy: 0.6886852699530689
Energy: 0.7449849475311879
Energy: 0.6886852699530689
Energy: 0.6997904482855224
Energy: 0.6600605023235897
Energy: 0.5988575254609985
Energy: 0.6600605023235897
Energy: 0.6037783156733384
Energy: 0.6562038726411838
Energy: 0.6833770535576676
Energy: 0.6562038726411838
Energy: 0.60394683245346
Energy: 0.6581556008588731
Energy: 0.6816743929296186
Energy: 0.6581556008588731
Energy: 0.7027410405781529
Energy: 0.6046533187870984
Energy: 0.5994763112718097
Energy: 0.6046533187877714
Energy: 0.607264064088593
Energy: 0.6890859139692
Energy: 0.7680332041067683
Energy: 0.6890859139692
Energy: 0.6861114784193553
Energy: 0.6130353978637614
Energy: 0.691020339282838
Energy: 0.6130353978630886
Energy: 0.7286535972375441
Energy: 0.6062421122550496
Energy: 0.601275364138804
Energy: 0.606242109178414
Energy: 0.6053155304144093
Energy: 0.6779537760819782
Energy: 0.6851869775123981
Energy: 0.6779537760819782

minimum gb energy = 0.5988575254609985 eV
minimum distance =  2.4947362694523 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: 0.552125660691462
Energy: 0.5523090011394578
Energy: 0.7153843422918794
Energy: 0.5523090011394578
Energy: 0.6722898778382483
Energy: 0.6007759267304261
Energy: 0.6461614581451588
Energy: 0.6007759267304261
Energy: 0.5528683953510234
Energy: 0.5526617170943751
Energy: 0.5738435192345253
Energy: 0.5526617170958891
Energy: 0.5527729408319452
Energy: 0.5526784040467982
Energy: 0.5737690613749072
Energy: 0.5526784040467982
Energy: 0.6723427167157243
Energy: 0.6007683328373004
Energy: 0.6576042755203099
Energy: 0.6007683328388496
Energy: 0.552125660691462
Energy: 0.5523090011394578
Energy: 0.7742351888692797
Energy: 0.5523090011394578
Energy: 0.6722898778382483
Energy: 0.600775926728877
Energy: 0.666407032002552
Energy: 0.600775926728877
Energy: 0.5528683953494741
Energy: 0.5526617170943751
Energy: 0.640875883708142
Energy: 0.5526617170943751
Energy: 0.5527729408334944
Energy: 0.5526784040467982
Energy: 0.6476841997528567
Energy: 0.552678404045249
Energy: 0.6723427167157243
Energy: 0.6007683328373004
Energy: 0.6772683541518423
Energy: 0.6007683328388496
Energy: 0.552125660691462
Energy: 0.5523090011394578
Energy: 0.8058073796486886
Energy: 0.5523090011394578
Energy: 0.6722898778382483
Energy: 0.600775926728877
Energy: 0.666407032002552
Energy: 0.6007759267304261
Energy: 0.5528683953510234
Energy: 0.5526617170943751
Energy: 0.6667202557972958
Energy: 0.5526617170958891

minimum gb energy = 0.552125660691462 eV
minimum distance =  2.60658453972688 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: 0.6202417873299638
Energy: 0.628818681219767
Energy: 0.8091534026930728
Energy: 0.6288186812191937
Energy: 0.7512340227818958
Energy: 0.6502521311468574
Energy: 0.634198207412009
Energy: 0.6502521311462841
Energy: 0.6277789097479093
Energy: 0.614556983354665
Energy: 0.6377483428837474
Energy: 0.614556983354665
Energy: 0.702929832928507
Energy: 0.7304232167849734
Energy: 0.6351027131978618
Energy: 0.7304232167843999
Energy: 0.6889043595453617
Energy: 0.6413993334326373
Energy: 0.6331335639422562
Energy: 0.641399333432064
Energy: 0.6143624594445448
Energy: 0.614022770181993
Energy: 0.7251943654361575
Energy: 0.6140227701825663
Energy: 0.8219131017827319
Energy: 0.6383390919295029
Energy: 0.6347605002626049
Energy: 0.6383390919295029
Energy: 0.6296438165909753
Energy: 0.6858509172464898
Energy: 0.6878840655140234
Energy: 0.6858509172464898
Energy: 0.6295498433654804
Energy: 0.7326040541778563
Energy: 0.6217645867659854
Energy: 0.7326040541778563
Energy: 0.6274715414861648
Energy: 0.6428115017946467
Energy: 0.6282979288262834
Energy: 0.6428115017946467
Energy: 0.6334667626889934
Energy: 0.7239786581953254
Energy: 0.7899785449823478
Energy: 0.7239786581953254
Energy: 0.6889399095276375
Energy: 0.7596769258433201
Energy: 0.6351007959565446
Energy: 0.7596769258427467
Energy: 0.630645823842933
Energy: 0.6794332019155864
Energy: 0.7290281305739026
Energy: 0.6794332019155864
Energy: 0.7244631743888924
Energy: 0.7238336840950025
Energy: 0.6246989436626308
Energy: 0.723833684094429
Energy: 0.6356256193992155
Energy: 0.6886518526643137
Energy: 0.6519597404470202
Energy: 0.6886518526643137
Energy: 0.6354825080957949
Energy: 0.7322218349546696
Energy: 0.7133299013750115
Energy: 0.7322218349540962
Energy: 0.6487106664054229
Energy: 0.6886318534503428
Energy: 0.6315276523735688
Energy: 0.6886318534503428
Energy: 0.6344216903846667
Energy: 0.6385331152332556
Energy: 0.7203324287601677
Energy: 0.6385331152332556
Energy: 0.6992286889164053
Energy: 0.679728988815974
Energy: 0.6158510746747851
Energy: 0.6797289888165474
Energy: 0.635997683732826
Energy: 0.6497834338559408
Energy: 0.6956474207092157
Energy: 0.6497834338559408
Energy: 0.6860903220582583
Energy: 0.7258416575444041
Energy: 0.7108088932891414
Energy: 0.7258416575444041
Energy: 0.6529739148598993
Energy: 0.6823846414778928
Energy: 0.6298263388240513
Energy: 0.6823846414778928
Energy: 0.6219766465886657
Energy: 0.679120596729868
Energy: 0.6317353951650417
Energy: 0.6791205967304413
Energy: 0.781597080628323
Energy: 0.6837254071481592
Energy: 0.6300535102431338
Energy: 0.6837254071487326
Energy: 0.6349748443590172
Energy: 0.7602215990668294
Energy: 0.7809354010162227
Energy: 0.7602215990668294
Energy: 0.680057944649815
Energy: 0.6146129120364353
Energy: 0.6294493278003861
Energy: 0.6146129120364353
Energy: 0.6459685227905636
Energy: 0.653170191880662
Energy: 0.708314460049237
Energy: 0.6531701918800886
Energy: 0.6296389224677155
Energy: 0.7221305600828153
Energy: 0.722440245103692
Energy: 0.7221305600822419
Energy: 0.6768996669582671
Energy: 0.6142347759298609
Energy: 0.6285346045699561
Energy: 0.6142347759292874
Energy: 0.6340255231970982
Energy: 0.7903526341021553
Energy: 0.7811333776934589
Energy: 0.7903526341021553
Energy: 0.7798624309907971
Energy: 0.7275324403846128
Energy: 0.6290911219015626
Energy: 0.7275324403840395
Energy: 0.6250056629044424
Energy: 0.6430313385655982
Energy: 0.6294918662549188
Energy: 0.6430313385661716
Energy: 0.627035012767608
Energy: 0.6818267618863713
Energy: 0.6280923907034557
Energy: 0.6818267618857978
Energy: 0.6850034902233024
Energy: 0.7232054137862616
Energy: 0.7135810288519177
Energy: 0.7232054137851148
Energy: 0.6449925523793405
Energy: 0.6921298477910957
Energy: 0.8209063253868087
Energy: 0.6921298477916692

minimum gb energy = 0.614022770181993 eV
minimum distance =  2.55539492234792 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: 0.6638565953421184
Energy: 0.6259893642113652
Energy: 0.7879951270165884
Energy: 0.6259893642104555
Energy: 0.6365333198625918
Energy: 0.6565484251181097
Energy: 0.6291164807799069
Energy: 0.6565484251181097
Energy: 0.6341402443113292
Energy: 0.6298488344361356
Energy: 0.6199235725270309
Energy: 0.6298488344361356
Energy: 0.639827441399966
Energy: 0.6282364503629148
Energy: 0.6445175378352002
Energy: 0.628236450362005
Energy: 0.65526957482869
Energy: 0.6589335733433195
Energy: 0.6199580417789967
Energy: 0.6589335733433195
Energy: 0.6323883183056065
Energy: 0.6209567021104384
Energy: 0.7848839055375398
Energy: 0.6209567021104384
Energy: 0.825368870446116
Energy: 0.7055079633342507
Energy: 0.6393637776716896
Energy: 0.7055079633342507
Energy: 0.6327056012933082
Energy: 0.6147369685596057
Energy: 0.6942682595437103
Energy: 0.6147369685596057
Energy: 0.8404196499549431
Energy: 0.6164073247513716
Energy: 0.6168881213104379
Energy: 0.6164073247513716
Energy: 0.617164801945149
Energy: 0.659979200439272
Energy: 0.6169354763645097
Energy: 0.6599792004383623
Energy: 0.6289951931130838
Energy: 0.6169452953938086
Energy: 0.7692171864436379
Energy: 0.6169452953938086
Energy: 0.6602271960772771
Energy: 0.6271654665170004
Energy: 0.6398961581471097
Energy: 0.6271654665160907
Energy: 0.6316910416838881
Energy: 0.6496103002676518
Energy: 0.7286847970532384
Energy: 0.649610300266742
Energy: 0.7815290481322228
Energy: 0.6863827376096494
Energy: 0.6401172718594149
Energy: 0.6863827376096494
Energy: 0.634146560853702
Energy: 0.6653810391586749
Energy: 0.7347943205246033
Energy: 0.6653810391586749
Energy: 0.7701835577168129
Energy: 0.6159266092579382
Energy: 0.6339473413373742
Energy: 0.6159266092588479
Energy: 0.6673387851004486
Energy: 0.6801716497066436
Energy: 0.6342033784879393
Energy: 0.6801716497057338
Energy: 0.666464359718521
Energy: 0.679411719956119
Energy: 0.6408554966617108
Energy: 0.679411719956119
Energy: 0.713028379010865
Energy: 0.6144740882011355
Energy: 0.632539429820808
Energy: 0.6144740882011355
Energy: 0.6360988236779388
Energy: 0.6652367018875898
Energy: 0.7999213331418937
Energy: 0.6652367018875898
Energy: 0.7703630782127917
Energy: 0.6209303004260452
Energy: 0.6382322944355602
Energy: 0.6209303004260452
Energy: 0.6444784015361897
Energy: 0.6557015143076497
Energy: 0.7117947146809942
Energy: 0.6557015143076497

minimum gb energy = 0.6144740882011355 eV
minimum distance =  2.54728255307446 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: 0.6312466000189734
Energy: 0.6310024528550868
Energy: 0.8181589799825665
Energy: 0.6310024528550868
Energy: 0.7479959367070954
Energy: 0.6546386457948524
Energy: 0.6187335224201951
Energy: 0.654638645791636
Energy: 0.6245738328783549
Energy: 0.6315671673015114
Energy: 0.6420384105469579
Energy: 0.6315671673015114
Energy: 0.6567918900643679
Energy: 0.660294513710122
Energy: 0.6285217248085861
Energy: 0.6602945137114086
Energy: 0.6248216379335608
Energy: 0.6494239380654219
Energy: 0.6317218384581946
Energy: 0.6494239380667085
Energy: 0.6251266099196452
Energy: 0.6321068185594713
Energy: 0.7892266027009531
Energy: 0.6321068185594713
Energy: 0.7316070026101358
Energy: 0.6923499141824337
Energy: 0.6504576397447266
Energy: 0.6923499141837204
Energy: 0.6250086993094864
Energy: 0.6313067873035139
Energy: 0.8271903285622219
Energy: 0.6313067873048004
Energy: 0.7058364059811787
Energy: 0.6558915969484957
Energy: 0.6269067108874586
Energy: 0.6558915969459228
Energy: 0.6248386509510663
Energy: 0.66561150640663
Energy: 0.7028541586079907
Energy: 0.6656115064040571
Energy: 0.656097958992713
Energy: 0.7082657925992726
Energy: 0.6507197067428542
Energy: 0.7082657926005591
Energy: 0.6310923108831694
Energy: 0.6493497194597088
Energy: 0.655683660493347
Energy: 0.649349719460352
Energy: 0.633629141610597
Energy: 0.6321306004831256
Energy: 0.6545118544578232
Energy: 0.632130600483769
Energy: 0.6317023933956514
Energy: 0.6283065776986253
Energy: 0.6443529072889363
Energy: 0.6283065776973388
Energy: 0.6162993147223528
Energy: 0.6599334374298593
Energy: 0.7555606332595912
Energy: 0.6599334374324326
Energy: 0.8261097440003485
Energy: 0.6279515335166796
Energy: 0.6317424532592485
Energy: 0.6279515335173228
Energy: 0.6255705983159249
Energy: 0.6482017088384716
Energy: 0.6993866626731495
Energy: 0.6482017088365419
Energy: 0.6251788723703057
Energy: 0.6256124265020439
Energy: 0.6439153440832076
Energy: 0.6256124265007573
Energy: 0.6257135261033335
Energy: 0.707976998978189
Energy: 0.6510757201631591
Energy: 0.7079769989769024
Energy: 0.6171748240262714
Energy: 0.6528494286526422
Energy: 0.630519211642822
Energy: 0.6528494286519989
Energy: 0.6400472528863848
Energy: 0.7084721123397147
Energy: 0.6269942899111894
Energy: 0.7084721123416445
Energy: 0.6245443145038587
Energy: 0.6319199174948126
Energy: 0.6439537595191641
Energy: 0.6319199174941693
Energy: 0.7932455651439255
Energy: 0.6562640127726326
Energy: 0.6509187290072426
Energy: 0.6562640127739191
Energy: 0.6314485652195578
Energy: 0.631123772398611
Energy: 0.8160024273841339
Energy: 0.631123772398611
Energy: 0.6313997632032632
Energy: 0.6524698345193631
Energy: 0.6501899764113684
Energy: 0.6524698345193631
Energy: 0.6416640687082812
Energy: 0.6609704889972338
Energy: 0.6492282890529281
Energy: 0.6609704889985203
Energy: 0.6250268934953674
Energy: 0.6626402425600958
Energy: 0.6905651464200357
Energy: 0.6626402425613822
Energy: 0.6713083112222735
Energy: 0.6485444735624395
Energy: 0.6282317071020458
Energy: 0.648544473561153
Energy: 0.6286549224599595
Energy: 0.6309978143611868
Energy: 0.7425436504448644
Energy: 0.6309978143605436
Energy: 0.6832854668630258
Energy: 0.6449089287412869
Energy: 0.639092372472093
Energy: 0.6449089287412869
Energy: 0.6286588346197192
Energy: 0.631054167824197
Energy: 0.757551011741598
Energy: 0.6310541678235536

minimum gb energy = 0.6162993147223528 eV
minimum distance =  2.5396278382707 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.5940937161200879
Energy: 0.5810854525700501
Energy: 0.8570065236148383
Energy: 0.5810854525702492
Energy: 0.658627731073033
Energy: 0.57187267429634
Energy: 0.572897852358976
Energy: 0.5718726742961161
Energy: 0.565727000358556
Energy: 0.6092291778663652
Energy: 0.6583692831425959
Energy: 0.6092291778665893
Energy: 0.5937566881226854
Energy: 0.5942470230242077
Energy: 0.669487360681067
Energy: 0.5942470230239838
Energy: 0.5943331263696203
Energy: 0.5923985894091686
Energy: 0.6141611965689816
Energy: 0.5923985894087452
Energy: 0.5811143928957301
Energy: 0.6092574743143029
Energy: 0.5811291324371253
Energy: 0.6092574743147262
Energy: 0.5810953318151958
Energy: 0.5925381843034692
Energy: 0.5942604579939883
Energy: 0.5925381843038925
Energy: 0.6695085606666934
Energy: 0.5944467229542171
Energy: 0.5937454073584318
Energy: 0.5944467229542171
Energy: 0.6582332681594992
Energy: 0.609220238368489
Energy: 0.658574243383829
Energy: 0.6092202383687132

minimum gb energy = 0.565727000358556 eV
minimum distance =  2.60104203890669 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: 0.5940143501473988
Energy: 0.5916909123780932
Energy: 0.7097232889606403
Energy: 0.591690912378701
Energy: 0.6220281257129862
Energy: 0.5867663145551688
Energy: 0.5913715674473324
Energy: 0.5867663145557765
Energy: 0.5821366124220514
Energy: 0.5877649228598756
Energy: 0.6987482614487173
Energy: 0.5877649228598756
Energy: 0.594759556269126
Energy: 0.61433982766741
Energy: 0.585026216415861
Energy: 0.61433982766741
Energy: 0.5861778993366005
Energy: 0.6172928090975226
Energy: 0.6401523985414244
Energy: 0.6172928090975226
Energy: 0.617726048836119
Energy: 0.5922731478637113
Energy: 0.5811106276399544
Energy: 0.5922731478637113
Energy: 0.5827392330476993
Energy: 0.6156269914691379
Energy: 0.5888681310664675
Energy: 0.6156269914691379
Energy: 0.5803815185806117
Energy: 0.5926321006663411
Energy: 0.5833122887582173
Energy: 0.5926321006669488
Energy: 0.5863578733290836
Energy: 0.6160562176080243
Energy: 0.5907894761043623
Energy: 0.6160562176080243
Energy: 0.5828560045738532
Energy: 0.6161325014816152
Energy: 0.6030282157410076
Energy: 0.6161325014810076
Energy: 0.5816892110044715
Energy: 0.6148361186490149
Energy: 0.5881652522819795
Energy: 0.6148361186490149
Energy: 0.5880271128574432
Energy: 0.6180883006073531
Energy: 0.5932999965811849
Energy: 0.6180883006073531
Energy: 0.618699988071402
Energy: 0.5918524473528004
Energy: 0.593836601393953
Energy: 0.5918524473521928
Energy: 0.5920315013211329
Energy: 0.593024820799621
Energy: 0.6043743330848851
Energy: 0.593024820799621
Energy: 0.7253363811651408
Energy: 0.5814318750931705
Energy: 0.5880097059065493
Energy: 0.581431875095601
Energy: 0.5833566056229218
Energy: 0.5880911530924091
Energy: 0.7025155399122668
Energy: 0.5880911530924091
Energy: 0.6797177931788355
Energy: 0.588509692461422
Energy: 0.592251635594176
Energy: 0.5885096924608143
Energy: 0.5860234044940409
Energy: 0.59183099600796
Energy: 0.7549939497432349
Energy: 0.59183099600796
Energy: 0.5988249288678202
Energy: 0.61735448890161
Energy: 0.5835050356748984
Energy: 0.6173544889010024
Energy: 0.583123591754709
Energy: 0.6450170189466683
Energy: 0.584533770310828
Energy: 0.645017018947276
Energy: 0.5931112745639299
Energy: 0.612918864341429
Energy: 0.5870185586424687
Energy: 0.6129188643408213
Energy: 0.594570445928105
Energy: 0.6159216889199883
Energy: 0.5815147367894231
Energy: 0.6159216889193808
Energy: 0.591188138516328
Energy: 0.5926225339719263
Energy: 0.5968220775376059
Energy: 0.5926225339719263
Energy: 0.591791707691222
Energy: 0.6175219494887468
Energy: 0.591050436848463
Energy: 0.6175219494881391
Energy: 0.596985422798752
Energy: 0.5924794681435759
Energy: 0.5890708948843756
Energy: 0.5924794681435759
Energy: 0.5916310866686408
Energy: 0.5930799898999047
Energy: 0.5860806113700491
Energy: 0.5930799898992971
Energy: 0.58331626906715
Energy: 0.5788756582977834
Energy: 0.6132853939482396
Energy: 0.5788756582989988
Energy: 0.7093219388686224
Energy: 0.6155271917343695
Energy: 0.5833602291496826
Energy: 0.6155271917343695
Energy: 0.5922531066354932
Energy: 0.5862160478731947
Energy: 0.6439660492470021
Energy: 0.5862160478731947
Energy: 0.7619447962365513
Energy: 0.591836988704059
Energy: 0.5862449831084183
Energy: 0.591836988704059
Energy: 0.5811367582632757
Energy: 0.5845845131269775
Energy: 0.7408553848668535
Energy: 0.5845845131275851
Energy: 0.6793756808405043
Energy: 0.6161114815663731
Energy: 0.581987512679415
Energy: 0.6161114815657655
Energy: 0.5851394560560191
Energy: 0.6143652742804322
Energy: 0.5973117419358456
Energy: 0.6143652742804322

minimum gb energy = 0.5788756582977834 eV
minimum distance =  2.52666731773568 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: 0.6330046410427689
Energy: 0.5706894200236943
Energy: 0.6943404534508082
Energy: 0.5706894200236943
Energy: 0.6050549185438105
Energy: 0.5536947687190492
Energy: 0.5669635347743426
Energy: 0.5536947687190492
Energy: 0.558219783991423
Energy: 0.5663701872331321
Energy: 0.6399820273542148
Energy: 0.5663701872314517
Energy: 0.5677147777779282
Energy: 0.5973121431679631
Energy: 0.5665959784808764
Energy: 0.5973121431679631
Energy: 0.5574718849492074
Energy: 0.569021228420638
Energy: 0.6390436912379504
Energy: 0.5690212284214781
Energy: 0.5539674811399808
Energy: 0.5970157027282252
Energy: 0.5664660730877055
Energy: 0.5970157027282252
Energy: 0.557836975820396
Energy: 0.6155056308126273
Energy: 0.564252520268879
Energy: 0.6155056308126273
Energy: 0.5572635975889393
Energy: 0.5660784033046653
Energy: 0.5877367633467403
Energy: 0.5660784033055055
Energy: 0.5658789425651047
Energy: 0.5711369412224131
Energy: 0.5892404343194113
Energy: 0.5711369412224131
Energy: 0.5659883485997828
Energy: 0.6643132731740877
Energy: 0.585815546798185
Energy: 0.6643132731740877
Energy: 0.5575088487120444
Energy: 0.5663026925049511
Energy: 0.578689484683518
Energy: 0.5663026925049511
Energy: 0.5569476909438053
Energy: 0.6085800924239602
Energy: 0.5640907042530819
Energy: 0.6085800924239602
Energy: 0.5541771536145998
Energy: 0.5964538543072898
Energy: 0.567109608155897
Energy: 0.5964538543072898
Energy: 0.553947839295558
Energy: 0.5707191119536521
Energy: 0.6439955926842414
Energy: 0.5707191119536521
Energy: 0.6962082733647325
Energy: 0.5966729324075135
Energy: 0.5672022505665684
Energy: 0.5966729324075135
Energy: 0.5582186125673624
Energy: 0.5662401859599654
Energy: 0.5793875418879441
Energy: 0.5662401859608056
Energy: 0.6182858424340855
Energy: 0.5542250927641673
Energy: 0.5660105891246051
Energy: 0.5542250927641673
Energy: 0.6330046410427689
Energy: 0.5706894200236943
Energy: 0.6958135346031794
Energy: 0.5706894200236943
Energy: 0.6050549185438105
Energy: 0.5536947687190492
Energy: 0.5669635347735024
Energy: 0.5536947687190492
Energy: 0.558219783991423
Energy: 0.5663701872322919
Energy: 0.6399820273542148
Energy: 0.5663701872314517
Energy: 0.5677147858795607
Energy: 0.5973121431688033
Energy: 0.5665959784800362
Energy: 0.5973121431688033
Energy: 0.5574718849492074
Energy: 0.5690212284214781
Energy: 0.6390436912379504
Energy: 0.5690212284214781
Energy: 0.5539674811391407
Energy: 0.597015702727385
Energy: 0.5664660730877055
Energy: 0.597015702727385
Energy: 0.557836975820396
Energy: 0.6155056308126273
Energy: 0.5711200964415443
Energy: 0.6155056308126273

minimum gb energy = 0.5536947687190492 eV
minimum distance =  2.53669583222117 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: 0.5628573202125154
Energy: 0.5630073597434562
Energy: 0.6956184024717984
Energy: 0.5630073597429369
Energy: 0.592312520302551
Energy: 0.5611948049335436
Energy: 0.5560035889624272
Energy: 0.5611948049340629
Energy: 0.5544674453702265
Energy: 0.5568921426206497
Energy: 0.5994487229503423
Energy: 0.5568921426211692
Energy: 0.5879272583019891
Energy: 0.5504246808444537
Energy: 0.5532333098407484
Energy: 0.5504246808444537
Energy: 0.5506021563546516
Energy: 0.5915830682924533
Energy: 0.6925083468582771
Energy: 0.5915830682914148
Energy: 0.5671867036116737
Energy: 0.6521170023554265
Energy: 0.5598408435351753
Energy: 0.6521170023549072
Energy: 0.5674638979674118
Energy: 0.5825214487597213
Energy: 0.5594795786088277
Energy: 0.5825214487592021
Energy: 0.5494680472808848
Energy: 0.6538057642721458
Energy: 0.5536662555842893
Energy: 0.6538057642716264
Energy: 0.5643014938930544
Energy: 0.6576513328008856
Energy: 0.5617373300622079
Energy: 0.6576513328008856
Energy: 0.5565914676754987
Energy: 0.5821087010030251
Energy: 0.5550302491895908
Energy: 0.5821087010040636
Energy: 0.5573927677302316
Energy: 0.647732313893804
Energy: 0.5566005101860002
Energy: 0.6477323138943233
Energy: 0.550604812940897
Energy: 0.5814392196218651
Energy: 0.5474462621075761
Energy: 0.5814392196208263
Energy: 0.550627227555202
Energy: 0.6531531255008594
Energy: 0.5559484705712168
Energy: 0.6531531255008594
Energy: 0.5616893300678709
Energy: 0.5903154667221924
Energy: 0.5630550862452999
Energy: 0.5903154667211538
Energy: 0.5565214709802389
Energy: 0.6479501790475365
Energy: 0.5685038512100673
Energy: 0.6479501790470172
Energy: 0.557661442719742
Energy: 0.5573274710828678
Energy: 0.6389509870029546
Energy: 0.5573274710823485
Energy: 0.5751543794000074
Energy: 0.6474082708802336
Energy: 0.5561056497010932
Energy: 0.6474082708807528
Energy: 0.5502666059496207
Energy: 0.563286208093787
Energy: 0.7608647583807572
Energy: 0.5632862080948257
Energy: 0.60600213584871
Energy: 0.5838354640045703
Energy: 0.5559136554089315
Energy: 0.5838354640050897
Energy: 0.5568933797957863
Energy: 0.556695358890241
Energy: 0.7111031019951268
Energy: 0.556695358890241
Energy: 0.5692233859919236
Energy: 0.556303214323515
Energy: 0.5655737049676404
Energy: 0.556303214323515
Energy: 0.5662312064139406
Energy: 0.5644585816513145
Energy: 0.5702437957894091
Energy: 0.5644585816513145
Energy: 0.5752516542768827
Energy: 0.556034444055422
Energy: 0.5580610438521071
Energy: 0.556034444055422
Energy: 0.556145387080219
Energy: 0.5833363375397713
Energy: 0.6439972064206267
Energy: 0.5833363375397713
Energy: 0.6841167753715008
Energy: 0.5632040757572413
Energy: 0.5515581232330327
Energy: 0.5632040757577604
Energy: 0.5572479470094782
Energy: 0.5910036887492397
Energy: 0.5558806289761239
Energy: 0.5910036887492397
Energy: 0.6208133876554013
Energy: 0.579377900043165
Energy: 0.5587562213901577
Energy: 0.5793779000416072
Energy: 0.5711430184014836
Energy: 0.6484748972279983
Energy: 0.555522846342932
Energy: 0.6484748972274791
Energy: 0.5631176736188606
Energy: 0.5897674351228728
Energy: 0.5638517954770479
Energy: 0.5897674351223535
Energy: 0.5574381272379939
Energy: 0.6534112577515082
Energy: 0.5655313841451377
Energy: 0.6534112577525469
Energy: 0.5550244705599536
Energy: 0.5892010975717553
Energy: 0.5583937625570524
Energy: 0.5892010975717553
Energy: 0.5595837256286134
Energy: 0.6470572662595858
Energy: 0.5558158989947835
Energy: 0.6470572662601051
Energy: 0.5529292958890879
Energy: 0.5823549228583174
Energy: 0.6274082160148666
Energy: 0.5823549228588367
Energy: 0.5768281917031683
Energy: 0.6568499851829387
Energy: 0.5619558439676252
Energy: 0.656849985183458
Energy: 0.5531369399740432
Energy: 0.563691441081581
Energy: 0.5787738474619714
Energy: 0.5636914410821002
Energy: 0.5605080040290243
Energy: 0.5835433420067951
Energy: 0.5681849148969278
Energy: 0.5835433420073144
Energy: 0.5579539619742422
Energy: 0.6518590760803411
Energy: 0.5687706209233152
Energy: 0.6518590760808605
Energy: 0.5763836125685442
Energy: 0.592378585272684
Energy: 0.5578395869670176
Energy: 0.592378585272684

minimum gb energy = 0.5474462621075761 eV
minimum distance =  2.53520313967978 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: 0.4926231435586428
Energy: 0.49267421109099896
Energy: 0.7984449701150746
Energy: 0.49267421109099896
Energy: 0.4927314654057165
Energy: 0.5089124550360863
Energy: 0.5033418521847033
Energy: 0.5089124550360863
Energy: 0.5014146340883376
Energy: 0.5730135818001084
Energy: 0.6390049776842308
Energy: 0.5730135818001084
Energy: 0.6316294143664066
Energy: 0.5088726754085694
Energy: 0.5033796956927346
Energy: 0.5088726754085694
Energy: 0.5015050222724733
Energy: 0.4942591454327209
Energy: 0.7414657496340386
Energy: 0.4942591454327209
Energy: 0.5015165658951306
Energy: 0.49285894814909126
Energy: 0.49498023887259046
Energy: 0.49285894814909126
Energy: 0.5015793146523908
Energy: 0.5731603778350189
Energy: 0.49281711195730654
Energy: 0.5731603778350189
Energy: 0.5058126502661141
Energy: 0.6665775321405764
Energy: 0.5032091940946055
Energy: 0.6665775321405764
Energy: 0.5014736227327539
Energy: 0.5322743005649834
Energy: 0.6301403514140766
Energy: 0.5322743005649834
Energy: 0.5092941235716236
Energy: 0.6206213232588002
Energy: 0.5014119998460581
Energy: 0.6206213232588002
Energy: 0.4925892842622021
Energy: 0.5089339389166889
Energy: 0.5013536637286163
Energy: 0.5089339389166889
Energy: 0.49265595096560916
Energy: 0.5713000057721282
Energy: 0.5032710604649097
Energy: 0.5713000057721282
Energy: 0.5014001974484202
Energy: 0.5304206361945183
Energy: 0.5043966941039169
Energy: 0.5304206361945183
Energy: 0.5014247642141885
Energy: 0.5300895442990852
Energy: 0.5013019191927144
Energy: 0.5300895442990852
Energy: 0.49550026991889323
Energy: 0.5304651868653085
Energy: 0.5013950522363312
Energy: 0.5304651868653085

minimum gb energy = 0.4925892842622021 eV
minimum distance =  2.55220284000655 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: 0.5017731281166664
Energy: 0.4923843275525285
Energy: 0.6425343059824137
Energy: 0.49238432755138944
Energy: 0.5262270148536975
Energy: 0.5032722521780636
Energy: 0.49133725254997324
Energy: 0.5032722521786331
Energy: 0.49264960290617715
Energy: 0.4924943767144849
Energy: 0.5657403496655476
Energy: 0.4924943767133459
Energy: 0.4909844321572216
Energy: 0.503332305309181
Energy: 0.48836079765591833
Energy: 0.503332305309181
Energy: 0.4962399024582041
Energy: 0.5186053116409226
Energy: 0.5220578073824541
Energy: 0.5186053116409226
Energy: 0.4860206495759392
Energy: 0.5055748303760075
Energy: 0.49161906299032
Energy: 0.505574830378855
Energy: 0.4963100153207051
Energy: 0.6210496691274638
Energy: 0.6328327589365979
Energy: 0.6210496691268944
Energy: 0.48593054696749827
Energy: 0.5037119364242024
Energy: 0.4916383636295815
Energy: 0.5037119364247719
Energy: 0.4962664990489942
Energy: 0.5210838514820713
Energy: 0.5451420999504605
Energy: 0.5210838514826408
Energy: 0.575538330086308
Energy: 0.5276110655856247
Energy: 0.4883143644925106
Energy: 0.5276110655856247
Energy: 0.4964124144744277
Energy: 0.5281200433550217
Energy: 0.4892201478464029
Energy: 0.5281200433550217
Energy: 0.595909259125583
Energy: 0.5274881589054201
Energy: 0.49271775777888344
Energy: 0.5274881589048765
Energy: 0.5085975590171494
Energy: 0.4966018456312948
Energy: 0.4861603089229485
Energy: 0.4966018456324338
Energy: 0.6089155718645917
Energy: 0.5277593932177859
Energy: 0.4928843519368477
Energy: 0.5277593932177859
Energy: 0.49833131194378605
Energy: 0.49186126427156
Energy: 0.48605073893097084
Energy: 0.49186126427099053
Energy: 0.48425974569848657
Energy: 0.5277581117069434
Energy: 0.48687341499024045
Energy: 0.5277581117075129
Energy: 0.4926966057322399
Energy: 0.5143634559364313
Energy: 0.4869284335206474
Energy: 0.5143634559358617
Energy: 0.491377347738027
Energy: 0.519774449308017
Energy: 0.4900223489966117
Energy: 0.5197744493085864
Energy: 0.4925202385197208
Energy: 0.5220279204508202
Energy: 0.4901191199403388
Energy: 0.5220279204508202
Energy: 0.4923033554077508
Energy: 0.5224399515215339
Energy: 0.49005191037525786
Energy: 0.522439951520395
Energy: 0.4910236773741587
Energy: 0.5197681297598998
Energy: 0.4899553909958149
Energy: 0.5197681297587607
Energy: 0.49272991928028137
Energy: 0.5144017460854142
Energy: 0.4871329290881383
Energy: 0.5144017460848448
Energy: 0.48424240387055417
Energy: 0.5276033431225926
Energy: 0.4868360417500573
Energy: 0.5276033431231619
Energy: 0.4963682350077136
Energy: 0.49178538347316386
Energy: 0.4875555401956966
Energy: 0.4917853834754419
Energy: 0.6085958965855536
Energy: 0.5277695208857873
Energy: 0.492898024525523
Energy: 0.5277695208846483
Energy: 0.5082639391649898
Energy: 0.4965181068353299
Energy: 0.4877562261009329
Energy: 0.49651810683646896
Energy: 0.5958581778096538
Energy: 0.5278053048288054
Energy: 0.492671639002264
Energy: 0.5278053048288054
Energy: 0.49686302440255264
Energy: 0.528001610072016
Energy: 0.4853869636683813
Energy: 0.528001610072016
Energy: 0.5757377201056879
Energy: 0.5275607593036267
Energy: 0.48830762573071224
Energy: 0.5275607593041962
Energy: 0.4985734446724904
Energy: 0.521124757257733
Energy: 0.5446886274940256
Energy: 0.5211247572548855
Energy: 0.4862635046168588
Energy: 0.5034182277174437
Energy: 0.4916284494623606
Energy: 0.5034182277163046
Energy: 0.4961271191368027
Energy: 0.6199844118196609
Energy: 0.5872352466835448
Energy: 0.6199844118185218
Energy: 0.4861866314509419
Energy: 0.505895024389635
Energy: 0.4917508278103953
Energy: 0.5058950243890656
Energy: 0.4990216616071945
Energy: 0.5186115532859847
Energy: 0.6342367339794419
Energy: 0.5186115532876931
Energy: 0.4907308583517418
Energy: 0.5032308515774505
Energy: 0.48836801363802684
Energy: 0.5032308515785896

minimum gb energy = 0.48424240387055417 eV
minimum distance =  2.568202559816 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: 0.5324774278469175
Energy: 0.542826389115649
Energy: 0.45527694726790163
Energy: 0.5428263891146914
Energy: 0.5247245667461569
Energy: 0.5862878812541484
Energy: 0.4514470956560886
Energy: 0.5862878812541484
Energy: 0.4606469043092157
Energy: 0.6005242921427093
Energy: 0.6027045152483224
Energy: 0.6005242921427093
Energy: 0.49560209859627824
Energy: 0.46230011158283085
Energy: 0.4534054408666235
Energy: 0.46230011158283085
Energy: 0.45274508151162374
Energy: 0.5865295459769114
Energy: 0.48337048138158745
Energy: 0.5865295459778911
Energy: 0.4553766243827256
Energy: 0.5879045346781044
Energy: 0.5100690105862946
Energy: 0.5879045346781044
Energy: 0.4592721007345137
Energy: 0.7157140852908984
Energy: 0.5837478088286979
Energy: 0.7157140852908984
Energy: 0.4411305200358782
Energy: 0.46191643356312284
Energy: 0.4634986824940263
Energy: 0.46191643356312284
Energy: 0.4518500162391569
Energy: 0.5867705476653906
Energy: 0.5886002264810967
Energy: 0.5867705476663704
Energy: 0.6027150644192731
Energy: 0.5871211843505167
Energy: 0.5100477312381836
Energy: 0.5871211843514965
Energy: 0.4524378607416646
Energy: 0.687206101857135
Energy: 0.4954073461631849
Energy: 0.687206101857135
Energy: 0.6074862501497602
Energy: 0.46170631520033517
Energy: 0.4532991107226982
Energy: 0.46170631520033517
Energy: 0.5081732262139639
Energy: 0.5867247026443076
Energy: 0.4495578622026628
Energy: 0.5867247026452875
Energy: 0.598334606291453
Energy: 0.7134882821612841
Energy: 0.4456879046755496
Energy: 0.7134882821612841
Energy: 0.5325406796859812
Energy: 0.4842546053768285
Energy: 0.44591745179667197
Energy: 0.4842546053768285
Energy: 0.5271797171357001
Energy: 0.5874504551019208
Energy: 0.45133640572217154
Energy: 0.5874504551019208
Energy: 0.5081719915857683
Energy: 0.5879699639490427
Energy: 0.44289741531509724
Energy: 0.5879699639490427
Energy: 0.4954547581586251
Energy: 0.6869015708401713
Energy: 0.4524186735492451
Energy: 0.6869015708391915
Energy: 0.4524773301133952
Energy: 0.4618246586923691
Energy: 0.45186119307960015
Energy: 0.4618246586923691
Energy: 0.45027570594150657
Energy: 0.5873668572880164
Energy: 0.5037268122559906
Energy: 0.5873668572880164

minimum gb energy = 0.4411305200358782 eV
minimum distance =  2.54519486945653 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: 0.4845958863860062
Energy: 0.6285391388775149
Energy: 0.4113419702403456
Energy: 0.62853913887828
Energy: 0.5447984127025083
Energy: 0.6178931872056599
Energy: 0.41110432918059137
Energy: 0.6178931872048947
Energy: 0.4595759570221034
Energy: 0.4688330777451896
Energy: 0.5861329445352699
Energy: 0.46883307774595473
Energy: 0.4543973679549267
Energy: 0.5803355430903953
Energy: 0.4132635295099033
Energy: 0.5803355430903953
Energy: 0.41784026119892076
Energy: 0.6166211254139706
Energy: 0.428924859482851
Energy: 0.6166211254132056
Energy: 0.4370667653866535
Energy: 0.4156124559069367
Energy: 0.41797250558490506
Energy: 0.4156124559061716
Energy: 0.412403854887253
Energy: 0.40955879363818365
Energy: 0.45506583477965273
Energy: 0.40955879363818365
Energy: 0.4074062670500022
Energy: 0.5326721858780733
Energy: 0.4605965324059392
Energy: 0.5326721858780733
Energy: 0.4116786227965923
Energy: 0.6178106675799914
Energy: 0.5835344760795328
Energy: 0.6178106675799914
Energy: 0.3988932345971793
Energy: 0.4083924478706294
Energy: 0.4320127349680499
Energy: 0.40839244787215967
Energy: 0.4121806884717108
Energy: 0.40927206583049397
Energy: 0.5523953554432347
Energy: 0.40927206583049397
Energy: 0.5114412994500532
Energy: 0.6518546126496645
Energy: 0.46058355069662693
Energy: 0.6518546126504295
Energy: 0.4140607942077817
Energy: 0.5803174040496528
Energy: 0.5139586620625284
Energy: 0.5803174040496528
Energy: 0.5257838996237721
Energy: 0.6294605226378684
Energy: 0.41952295117771715
Energy: 0.6294605226386335
Energy: 0.4173676016107181
Energy: 0.4085271500735567
Energy: 0.43666479572439754
Energy: 0.4085271500720266
Energy: 0.544665113594118
Energy: 0.634656859459733
Energy: 0.4111189276165982
Energy: 0.6346568594604983
Energy: 0.46342903373433963
Energy: 0.5325404720056922
Energy: 0.40658887564134255
Energy: 0.5325404720056922
Energy: 0.526187718484823
Energy: 0.6164330704992751
Energy: 0.41244400648585416
Energy: 0.6164330705000401
Energy: 0.48828343014062214
Energy: 0.5322787719904712
Energy: 0.39908126812831085
Energy: 0.5322787719904712
Energy: 0.6081606252133002
Energy: 0.6345807365317485
Energy: 0.41134043473028914
Energy: 0.6345807365317485
Energy: 0.46334110842785253
Energy: 0.6501444858989152
Energy: 0.40008973599285036
Energy: 0.6501444858981502
Energy: 0.45093033893733897
Energy: 0.5286551095615507
Energy: 0.4168338002677085
Energy: 0.5286551095615507
Energy: 0.41734043795271003
Energy: 0.6282469626972063
Energy: 0.5255498086760337
Energy: 0.6282469626979713
Energy: 0.43851626820255585
Energy: 0.6343141980865555
Energy: 0.4173552374787766
Energy: 0.6343141980865555
Energy: 0.411251727569812
Energy: 0.6502463460062003
Energy: 0.5408935100873862
Energy: 0.6502463460062003
Energy: 0.40327585045175385
Energy: 0.5330370660551671
Energy: 0.46010047680752936
Energy: 0.5330370660551671

minimum gb energy = 0.3988932345971793 eV
minimum distance =  2.49280416454638 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: 0.5318804797752976
Energy: 0.5508166187837448
Energy: 0.49537045732798896
Energy: 0.5508166187831174
Energy: 0.5047797696760159
Energy: 0.3765161460981705
Energy: 0.3721699953961949
Energy: 0.3765161460975433
Energy: 0.38215141496556365
Energy: 0.37372807592700347
Energy: 0.4705658026728482
Energy: 0.37372807592763074
Energy: 0.44436271412860195
Energy: 0.37743519908639794
Energy: 0.37223851202885255
Energy: 0.37743519908765244
Energy: 0.3692731845171409
Energy: 0.5581913287620773
Energy: 0.38614087058560986
Energy: 0.5581913287614501
Energy: 0.3834114093355123
Energy: 0.37663547818598153
Energy: 0.3723231096274444
Energy: 0.37663547818535426
Energy: 0.37160407331262857
Energy: 0.37590727308898264
Energy: 0.3837992608429527
Energy: 0.37590727308898264
Energy: 0.36534378582646915
Energy: 0.4680639614750944
Energy: 0.3698466162139488
Energy: 0.46806396147446705
Energy: 0.37390156702692917
Energy: 0.5762351003161702
Energy: 0.4434431024163538
Energy: 0.576235100315543
Energy: 0.369210941927185
Energy: 0.3719746609254284
Energy: 0.38266549589017956
Energy: 0.37197466092480114
Energy: 0.37162048076759907
Energy: 0.37892117341907
Energy: 0.5050174869411458
Energy: 0.37892117341907
Energy: 0.3648343647732935
Energy: 0.5494257907265663
Energy: 0.5325343552581502
Energy: 0.5494257907265663
Energy: 0.3739228764570537
Energy: 0.5778010532714541
Energy: 0.5053353977560741
Energy: 0.5778010532720815
Energy: 0.46452806613939024
Energy: 0.4979903574874248
Energy: 0.38269762796589724
Energy: 0.4979903574867976
Energy: 0.3715996251914485
Energy: 0.37923570909851734
Energy: 0.489543857577939
Energy: 0.37923570910039917
Energy: 0.4663107787336796
Energy: 0.5782119221564749
Energy: 0.36985794062048194
Energy: 0.5782119221564749
Energy: 0.37384461253445905
Energy: 0.5767497061780489
Energy: 0.45961696336316826
Energy: 0.5767497061774216
Energy: 0.4614576206713421
Energy: 0.49630259705465113
Energy: 0.3721948686673767
Energy: 0.496302597052142
Energy: 0.37160470674643836
Energy: 0.4680464742598806
Energy: 0.36534962943099025
Energy: 0.4680464742598806
Energy: 0.4503502034841736
Energy: 0.57824281452539
Energy: 0.37613648978313946
Energy: 0.57824281452539
Energy: 0.38442796274197766
Energy: 0.5775161780750749
Energy: 0.36668544617136367
Energy: 0.5775161780750749
Energy: 0.5880455141720787
Energy: 0.6070365983890929
Energy: 0.372187111938419
Energy: 0.6070365983890929
Energy: 0.5338662610519814
Energy: 0.5490616836581639
Energy: 0.36516683374479586
Energy: 0.5490616836594183
Energy: 0.5023200265337189
Energy: 0.5778232683334978
Energy: 0.3756179171778555
Energy: 0.577823268334125
Energy: 0.38445432702269156
Energy: 0.5765144079187913
Energy: 0.3671989182893436
Energy: 0.5765144079187913
Energy: 0.4883416036299001
Energy: 0.6054655410247365
Energy: 0.37223180608477346
Energy: 0.6054655410241091
Energy: 0.3716164407395382
Energy: 0.5756623242733521
Energy: 0.4675543174099
Energy: 0.5756623242733521
Energy: 0.3733445035028856
Energy: 0.5763724575092506
Energy: 0.37395221144047325
Energy: 0.5763724575092506
Energy: 0.37394588741055673
Energy: 0.5993870150341261
Energy: 0.46493987944445503
Energy: 0.5993870150341261
Energy: 0.3696700225647824
Energy: 0.5948349232288205
Energy: 0.3743278029748747
Energy: 0.5948349232288205
Energy: 0.3718360359092127
Energy: 0.5758358753985818
Energy: 0.45211261750844073
Energy: 0.5758358753985818
Energy: 0.369376536319
Energy: 0.5765763485341205
Energy: 0.3871764288399628
Energy: 0.5765763485341205

minimum gb energy = 0.3648343647732935 eV
minimum distance =  2.48884572350176 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: 0.4849053828323771
Energy: 0.5429681589904679
Energy: 0.5071426444347149
Energy: 0.5429681589899364
Energy: 0.5400282008798032
Energy: 0.5208624019686913
Energy: 0.34990570700360446
Energy: 0.5208624019681599
Energy: 0.36040612232253993
Energy: 0.49980721573567494
Energy: 0.6031406462764373
Energy: 0.49980721573673764
Energy: 0.45839045919706606
Energy: 0.5331143236359874
Energy: 0.3499159456036151
Energy: 0.5331143236354562
Energy: 0.3481128488411992
Energy: 0.5494430049164575
Energy: 0.3587631893707687
Energy: 0.549443004915926
Energy: 0.40746432292374146
Energy: 0.519273491466066
Energy: 0.3499307232188907
Energy: 0.5192734914655347
Energy: 0.3494983343555043
Energy: 0.5002897081542818
Energy: 0.35637337982284817
Energy: 0.5002897081542818
Energy: 0.35650152508178207
Energy: 0.5000664408094136
Energy: 0.3499769935128712
Energy: 0.5000664408083509
Energy: 0.35087923023094725
Energy: 0.5473773447777219
Energy: 0.43271141851816236
Energy: 0.5473773447787846
Energy: 0.34251999739101224
Energy: 0.5187637716058583
Energy: 0.34848829313320734
Energy: 0.5187637716063896
Energy: 0.34949803763041337
Energy: 0.5195648275876098
Energy: 0.4602126428789931
Energy: 0.5195648275881412
Energy: 0.3462772307672212
Energy: 0.3508629998038917
Energy: 0.36090867903327967
Energy: 0.35086299980442304
Energy: 0.35101124988157434
Energy: 0.5468785038377062
Energy: 0.5388883928640593
Energy: 0.5468785038382377
Energy: 0.3414088392155361
Energy: 0.5539939945600334
Energy: 0.48529524356696185
Energy: 0.5539939945605649
Energy: 0.3496166565976537
Energy: 0.5221503723542607
Energy: 0.5411197958398859
Energy: 0.5221503723537294
Energy: 0.4260680757003951
Energy: 0.5005344881998808
Energy: 0.360877675833869
Energy: 0.5005344881993494
Energy: 0.3510094854589534
Energy: 0.546996942000829
Energy: 0.4601711999465697
Energy: 0.5469969420018918
Energy: 0.4263442019668016
Energy: 0.5599632194027405
Energy: 0.34839415416528674
Energy: 0.5599632194032719
Energy: 0.3494932701443527
Energy: 0.5223247381493838
Energy: 0.40966025739613815
Energy: 0.5223247381493838
Energy: 0.4209057938261193
Energy: 0.522007702563402
Energy: 0.3499685246219083
Energy: 0.522007702563402
Energy: 0.35093798652569924
Energy: 0.5337149854555607
Energy: 0.3573270183861901
Energy: 0.5337149854555607
Energy: 0.4329819688497214
Energy: 0.5588345471876618
Energy: 0.35281047011282896
Energy: 0.5588345471876618
Energy: 0.3495313467341147
Energy: 0.5216812253129985
Energy: 0.33826950502462794
Energy: 0.5216812253140614
Energy: 0.508822298825207
Energy: 0.5221128946774279
Energy: 0.34980705254621175
Energy: 0.5221128946774279
Energy: 0.3620036284787837
Energy: 0.5335731303557179
Energy: 0.3405149434488158
Energy: 0.5335731303562491
Energy: 0.5385241517782097
Energy: 0.5585580574975958
Energy: 0.35263150429670576
Energy: 0.558558057496533
Energy: 0.4860276019590637
Energy: 0.5402579608867756
Energy: 0.3386827736856168
Energy: 0.5402579608862442
Energy: 0.6151641293329566
Energy: 0.522498257747191
Energy: 0.3498881726754537
Energy: 0.5224982577461283
Energy: 0.3619434132322886
Energy: 0.5590430031732777
Energy: 0.34411469333419886
Energy: 0.5590430031732777
Energy: 0.4461321014145208
Energy: 0.5481086037011459
Energy: 0.3526102473663534
Energy: 0.5481086037006146
Energy: 0.349499905440132
Energy: 0.547010137345656
Energy: 0.42755803947043136
Energy: 0.5470101373451245
Energy: 0.4413282057920626
Energy: 0.5218994479124988
Energy: 0.34990685031633195
Energy: 0.5218994479130301
Energy: 0.3509469436504573
Energy: 0.5591539432085526
Energy: 0.42864950082840997
Energy: 0.559153943209084
Energy: 0.3515532944671406
Energy: 0.5331406230633072
Energy: 0.35269155428403054
Energy: 0.5331406230633072
Energy: 0.34328903275747513
Energy: 0.5470097491990114
Energy: 0.4287695107177739
Energy: 0.5470097491995427
Energy: 0.34999962632515996
Energy: 0.5217349109039467
Energy: 0.3513241833884618
Energy: 0.5217349109044782
Energy: 0.35104770130964463
Energy: 0.559731050829323
Energy: 0.516781149230345
Energy: 0.5597310508287915

minimum gb energy = 0.33826950502462794 eV
minimum distance =  2.56814362995664 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: 0.49559104660456493
Energy: 0.5158694543743045
Energy: 0.31002459516656883
Energy: 0.5158694543756871
Energy: 0.5949847860533223
Energy: 0.48238240122799264
Energy: 0.31935244999778023
Energy: 0.48238240122799264
Energy: 0.4765232323238027
Energy: 0.47310106924551454
Energy: 0.37990182241301623
Energy: 0.47310106924551454
Energy: 0.5255278782986967
Energy: 0.47921486440899796
Energy: 0.31934929871925877
Energy: 0.4792148644094588
Energy: 0.3638430024535763
Energy: 0.4580954274122954
Energy: 0.33451089322359495
Energy: 0.45809542741275633
Energy: 0.46017852000321036
Energy: 0.47349308604700024
Energy: 0.31920482669778877
Energy: 0.47349308604700024
Energy: 0.34750477238496225
Energy: 0.46476899550310347
Energy: 0.35923072821012586
Energy: 0.46476899550264267
Energy: 0.4160916302922753
Energy: 0.4790749265082489
Energy: 0.3233297295078349
Energy: 0.47907492650686634
Energy: 0.3225221023427352
Energy: 0.44869799441150104
Energy: 0.40286484653734755
Energy: 0.44869799441196195
Energy: 0.35913221123067285
Energy: 0.46090502541806594
Energy: 0.3479467121908758
Energy: 0.46090502541714423
Energy: 0.32000827224800654
Energy: 0.47999020323594194
Energy: 0.46033080006853316
Energy: 0.4799902032354811
Energy: 0.32856047074816236
Energy: 0.49377102759222263
Energy: 0.3641722784335203
Energy: 0.49377102759314434
Energy: 0.3190944568275803
Energy: 0.4483951041494065
Energy: 0.5640111947220088
Energy: 0.4483951041507891
Energy: 0.30825097583600214
Energy: 0.47315754435264185
Energy: 0.4768078618921562
Energy: 0.47315754435264185
Energy: 0.3204295191651091
Energy: 0.47916558761679723
Energy: 0.5957450649481509
Energy: 0.47916558761725814
Energy: 0.30683174050287976
Energy: 0.5044477735470629
Energy: 0.45649168968607695
Energy: 0.5044477735461411
Energy: 0.31895980173760513
Energy: 0.4486751185191236
Energy: 0.5650744408714964
Energy: 0.44867511851866276
Energy: 0.36877352493997
Energy: 0.4731915693927294
Energy: 0.4767115441794095
Energy: 0.4731915693918077
Energy: 0.3203984866086897
Energy: 0.4789629185978327
Energy: 0.5254815316684753
Energy: 0.47896291859737183
Energy: 0.37888133752494274
Energy: 0.5138580135093171
Energy: 0.36414204358409397
Energy: 0.5138580135088563
Energy: 0.3194694961751138
Energy: 0.42310059062820027
Energy: 0.4608178298421368
Energy: 0.42310059062773936
Energy: 0.39951991355834177
Energy: 0.4796259010337712
Energy: 0.3478471363975572
Energy: 0.47962590103331026
Energy: 0.3232953331126082
Energy: 0.47886857114923714
Energy: 0.4164617742017364
Energy: 0.478868571149698
Energy: 0.40230175358081044
Energy: 0.5117350289987528
Energy: 0.32333033462552235
Energy: 0.511735028997831
Energy: 0.34886088177738334
Energy: 0.426741693270014
Energy: 0.3596466003582083
Energy: 0.4267416932695531
Energy: 0.48881126636706757
Energy: 0.4796052019449554
Energy: 0.31961160974668335
Energy: 0.4796052019449554
Energy: 0.3651831371878372
Energy: 0.489814009721585
Energy: 0.32822505930803475
Energy: 0.48981400972204586
Energy: 0.4952062644668814
Energy: 0.5121839081677001
Energy: 0.3194260510220405
Energy: 0.512183908168161
Energy: 0.4776498426442824
Energy: 0.47634765604610074
Energy: 0.3071409310083537
Energy: 0.476347656045179
Energy: 0.643398402543633
Energy: 0.4791115068914687
Energy: 0.3200522602689313
Energy: 0.47911150689239046
Energy: 0.4968098978731795
Energy: 0.5117397498189991
Energy: 0.30577844696225237
Energy: 0.5117397498185592
Energy: 0.5869760438760614
Energy: 0.5150597240211002
Energy: 0.31936673948334937
Energy: 0.5150597240206394
Energy: 0.47777115411668214
Energy: 0.4763474789234363
Energy: 0.3059546924648859
Energy: 0.47634747892389717
Energy: 0.5774845633121158
Energy: 0.478949626224491
Energy: 0.3199573028689379
Energy: 0.478949626224491
Energy: 0.3652750277196488
Energy: 0.5099788768870491
Energy: 0.37847137599558867
Energy: 0.50997887688751
Energy: 0.4374164549150108
Energy: 0.5051849770666451
Energy: 0.320625118312517
Energy: 0.505184977067106
Energy: 0.34894126650923035
Energy: 0.4794041431676929
Energy: 0.39951952426515674
Energy: 0.4794041431676929
Energy: 0.4311035415146087
Energy: 0.4787489492063328
Energy: 0.32267731232908914
Energy: 0.4787489492063328
Energy: 0.3245408177182959
Energy: 0.510011428153517
Energy: 0.40217529448367906
Energy: 0.510011428153517
Energy: 0.3306719344264854
Energy: 0.49834365988741386
Energy: 0.3428701668793931
Energy: 0.49834365988833557
Energy: 0.31909841272159434
Energy: 0.47921361429614157
Energy: 0.5023575523669226
Energy: 0.47921361429660236
Energy: 0.3273373325192393
Energy: 0.48989493396032735
Energy: 0.3598550162028091
Energy: 0.48989493396032735
Energy: 0.3203113339988904
Energy: 0.5098210514493206
Energy: 0.4952381673145673
Energy: 0.5098210514488597

minimum gb energy = 0.30577844696225237 eV
minimum distance =  2.55143562132422 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.011733831076649855
Energy: 0.013135645252101742
Energy: 0.39294401178428967
Energy: 0.013135645252101742
Energy: 0.39261192993843425
Energy: 0.17518083690816094
Energy: 0.1756623902352287
Energy: 0.17518083690884984
Energy: 0.011733831076649855
Energy: 0.013135645252101742
Energy: 0.3929440863942988
Energy: 0.013135645252101742
Energy: 0.39261192993843425
Energy: 0.17518083690816094
Energy: 0.17566136296105156
Energy: 0.17518083690849554
Energy: 0.011733831076649855
Energy: 0.013135645252101742
Energy: 0.3929439896824207
Energy: 0.013135645251767136
Energy: 0.39261192993843425
Energy: 0.17518083690780664
Energy: 0.1756607555144451
Energy: 0.17518083690849554

minimum gb energy = 0.011733831076649855 eV
minimum distance =  2.83530845004235 Angstroms
sigma value = 1