Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_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=4.070949114859104
cohesive_energy=3.369388139873114
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: 0.010290549376315914
Energy: 0.011180292365698636
Energy: 0.7709950662278013
Energy: 0.011180292365698636
Energy: 0.011180292365698636
Energy: 0.5168090280751073
Energy: 0.011180292365698636
Energy: 0.5168090280751073
Energy: 0.7709950662282958
Energy: 0.011180292365698636
Energy: 0.010290549376315914
Energy: 0.011180292365698636
Energy: 0.011180292365698636
Energy: 0.5168090280751073
Energy: 0.011180292365204049
Energy: 0.5168090280751073

minimum gb energy = 0.010290549376315914 eV
minimum distance =  2.70475672767585 Angstroms
sigma value = 1


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

Energy: 0.6451884639682156
Energy: 0.5843060496659278
Energy: 0.6232859624738215
Energy: 0.5843060496665277
Energy: 0.6115765863543119
Energy: 0.5987917631851369
Energy: 0.6395258743179487
Energy: 0.5987917631875365
Energy: 0.5802547433781867
Energy: 0.5549774214392301
Energy: 0.6167367014921075
Energy: 0.5549774214392301
Energy: 0.5883051874080476
Energy: 0.613701112541492
Energy: 0.593383878736226
Energy: 0.6137011118651868
Energy: 0.588224673324909
Energy: 0.5883137519964682
Energy: 0.588412485654909
Energy: 0.5883137519868709
Energy: 0.5895740620784432
Energy: 0.6299286962180768
Energy: 0.5824712584969632
Energy: 0.6299286962192763
Energy: 0.6329764797360992
Energy: 0.5624840563807555
Energy: 0.5907215528410354
Energy: 0.5624840563807555
Energy: 0.5682419239830668
Energy: 0.5878707559299112
Energy: 0.5771962041659733
Energy: 0.5878707559299112
Energy: 0.5931518293893449
Energy: 0.7466727172258539
Energy: 0.6434160836669356
Energy: 0.7466727172258539
Energy: 0.580332336099796
Energy: 0.553852610945742
Energy: 0.5541980718079963
Energy: 0.5538526109451423
Energy: 0.6536024330100766
Energy: 0.5931034068779549
Energy: 0.5930340357963831
Energy: 0.5931034068281693
Energy: 0.6043511447179726
Energy: 0.5884818082242579
Energy: 0.6035203752569672
Energy: 0.5884818082230582
Energy: 0.638653983032174
Energy: 0.5592292185344395
Energy: 0.6603914077183716
Energy: 0.5592292187820591
Energy: 0.6060420015872015
Energy: 0.5745301253975125
Energy: 0.5827502649780817
Energy: 0.5745301253987121
Energy: 0.5929830095340017
Energy: 0.5908908656734823
Energy: 0.620419101420216
Energy: 0.5908908656729097
Energy: 0.5877737395520192
Energy: 0.5932821723256255
Energy: 0.6150842784915261
Energy: 0.5932821723280249
Energy: 0.6171545622160965
Energy: 0.5543675182722332
Energy: 0.5603425070169672
Energy: 0.5543675182716332
Energy: 0.6397165563051658
Energy: 0.5802509642518987
Energy: 0.6561352125899522
Energy: 0.5802509642566973
Energy: 0.6015077931199545
Energy: 0.5872147208374607
Energy: 0.600743823117664
Energy: 0.5872147208380606
Energy: 0.6915601031463272
Energy: 0.7360955192281478
Energy: 0.5947759371071738
Energy: 0.7360955192281478
Energy: 0.5773691592748453
Energy: 0.5544340705383489
Energy: 0.5655155762711982
Energy: 0.5544340705383489
Energy: 0.5930191570883275
Energy: 0.6783424255174215
Energy: 0.6409800799088954
Energy: 0.6783424255174215
Energy: 0.6704087148290482
Energy: 0.5892185405374737
Energy: 0.5661701865128381
Energy: 0.5892185405386734
Energy: 0.6315169901159632
Energy: 0.5603044753030813
Energy: 0.5894752839675187
Energy: 0.5603044753024815
Energy: 0.5903894034300459
Energy: 0.6348530042096404
Energy: 0.6887766543991927
Energy: 0.6348530042102402
Energy: 0.5716504735584503
Energy: 0.5883903266228937
Energy: 0.5846991462050867
Energy: 0.5883903266234934
Energy: 0.596209325812853
Energy: 0.63875875055275
Energy: 0.5956451721140273
Energy: 0.638758748921956
Energy: 0.5736127492809122
Energy: 0.5524037913290037
Energy: 0.6137276478320907
Energy: 0.5524037913290037
Energy: 0.6092962916417246
Energy: 0.6046845312509325
Energy: 0.5822946778535515
Energy: 0.6046845312479332
Energy: 0.6500727335124121
Energy: 0.5850278410726355
Energy: 0.6163694951737181
Energy: 0.5850278410732354
Energy: 0.6122395451118161
Energy: 0.5830956624768009
Energy: 0.638631776724343
Energy: 0.5830956625235602
Energy: 0.5920453885454662
Energy: 0.5575066659446123
Energy: 0.6060822277780501
Energy: 0.5575066659452121
Energy: 0.5878925963079072
Energy: 0.61205723813862
Energy: 0.5954739918251354
Energy: 0.6120572319031984

minimum gb energy = 0.5524037913290037 eV
minimum distance =  2.60590913312649 Angstroms
sigma value = 1


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

Energy: 0.6648198359582054
Energy: 0.63613280460761
Energy: 0.636818583426708
Energy: 0.6361328046089779
Energy: 0.6137379114553688
Energy: 0.6220852100145607
Energy: 0.6510529500618746
Energy: 0.6220852104062847
Energy: 0.5962960168240566
Energy: 0.6360175073520808
Energy: 0.6319271960113076
Energy: 0.6360175073472933
Energy: 0.6205822075538378
Energy: 0.6331895156380121
Energy: 0.5987845235376275
Energy: 0.6331895156400639
Energy: 0.6226612570171537
Energy: 0.59903746884155
Energy: 0.6465366688716637
Energy: 0.5990374688422339
Energy: 0.6488522015072027
Energy: 0.599154927885802
Energy: 0.6363341850808258
Energy: 0.599154927886486
Energy: 0.6496753121935132
Energy: 0.6796428383588816
Energy: 0.6018777372654867
Energy: 0.6796428383602493
Energy: 0.5716042534749688
Energy: 0.6369842040351934
Energy: 0.6014888175117042
Energy: 0.6369842040358773
Energy: 0.5965483767911773
Energy: 0.7109541270105377
Energy: 0.7232592688696456
Energy: 0.7109541269995953
Energy: 0.6050726878196038
Energy: 0.6372891178453399
Energy: 0.601989824615756
Energy: 0.637289117843972
Energy: 0.6684480874037799
Energy: 0.6051237841211144
Energy: 0.6332558627077534
Energy: 0.6051237842400524
Energy: 0.5799713690526357
Energy: 0.6154484788321942
Energy: 0.6296945081547672
Energy: 0.6154484788315103
Energy: 0.6609354008409293
Energy: 0.5942939054325687
Energy: 0.6255934199480686
Energy: 0.594293905533756
Energy: 0.6873234917790575
Energy: 0.6004988222352822
Energy: 0.5984533685055571
Energy: 0.6004988222352822
Energy: 0.5800683127797454
Energy: 0.617124757489205
Energy: 0.6125064000532249
Energy: 0.6171247574885211
Energy: 0.6680852516952963
Energy: 0.6083822968367832
Energy: 0.650161657870761
Energy: 0.6083822968395188
Energy: 0.6044958434767765
Energy: 0.638532588908136
Energy: 0.5841032103141696
Energy: 0.638532588908136
Energy: 0.5970679967050964
Energy: 0.7096149896779544
Energy: 0.7235540539685393
Energy: 0.7096149896717993
Energy: 0.5716717412702218
Energy: 0.6364798659826147
Energy: 0.5821937906395785
Energy: 0.6364798659832986
Energy: 0.6714933324167762
Energy: 0.6622947183292804
Energy: 0.5996008653614633
Energy: 0.6622947172970454
Energy: 0.6388770606216996
Energy: 0.6018476154544501
Energy: 0.5933136572138823
Energy: 0.6018476154537662
Energy: 0.6212287851223667
Energy: 0.600699097579787
Energy: 0.6247665870551559
Energy: 0.6006990975811547
Energy: 0.6108330943391845
Energy: 0.6318217259199936
Energy: 0.5889899371218461
Energy: 0.631821725932988
Energy: 0.5951376217055018
Energy: 0.6365555107390296
Energy: 0.6077698301719957
Energy: 0.6365555107390296
Energy: 0.6129367921094959
Energy: 0.6244448940714306
Energy: 0.6148964930174989
Energy: 0.6244448941616754
Energy: 0.6648198359568375
Energy: 0.636132804608294
Energy: 0.6447062246414144
Energy: 0.636132804608294
Energy: 0.6137379114553688
Energy: 0.6220852118254253
Energy: 0.6510529500618746
Energy: 0.6220852126498766
Energy: 0.5962960168315796
Energy: 0.6360175073568682
Energy: 0.6259294926888244
Energy: 0.6360175073520808
Energy: 0.6205822075552057
Energy: 0.6331895156906419
Energy: 0.6089633293434475
Energy: 0.6331895156913259

minimum gb energy = 0.5716042534749688 eV
minimum distance =  2.5396535339736 Angstroms
sigma value = 25


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

Energy: 0.6855491526322193
Energy: 0.6342976849908815
Energy: 0.6627948769478944
Energy: 0.6342976849908815
Energy: 0.6504421454574536
Energy: 0.6390389619656887
Energy: 0.6866166944219764
Energy: 0.6390389621278019
Energy: 0.6233767315084193
Energy: 0.6947990646697964
Energy: 0.6400660194960228
Energy: 0.6947990646697964
Energy: 0.6012538357009762
Energy: 0.6631512178986373
Energy: 0.6134124528046677
Energy: 0.6631845452398835
Energy: 0.6143065921473333
Energy: 0.6375831600766467
Energy: 0.6869428734044561
Energy: 0.6375831608506598
Energy: 0.6938955994610952
Energy: 0.7018920540442976
Energy: 0.7049796736283649
Energy: 0.7018920540442976
Energy: 0.7596529052290439
Energy: 0.7006225811560415
Energy: 0.6672691253721554
Energy: 0.7006225811560415
Energy: 0.6944609498953164
Energy: 0.6398013138742658
Energy: 0.6174873797004068
Energy: 0.6398013138750608
Energy: 0.6639573335551792
Energy: 0.6245193467351648
Energy: 0.715845332582789
Energy: 0.6245193495562645
Energy: 0.6334314488884089
Energy: 0.6953533784352144
Energy: 0.6083749735389216
Energy: 0.6953533784352144
Energy: 0.6324154652102795
Energy: 0.6377605782394558
Energy: 0.6200366174845187
Energy: 0.6377605782394558
Energy: 0.6481158065936602
Energy: 0.6400380838458434
Energy: 0.6168093207940143
Energy: 0.6400380838474334
Energy: 0.6400713155035306
Energy: 0.6763235534814993
Energy: 0.6030030533655136
Energy: 0.6763235534822943
Energy: 0.6646322459428202
Energy: 0.6619098269961667
Energy: 0.6710082953844803
Energy: 0.6619098269953716
Energy: 0.6010980213219703
Energy: 0.6368985860197103
Energy: 0.6101899787215446
Energy: 0.6368985860197103
Energy: 0.7163152554058874
Energy: 0.6267500457666313
Energy: 0.6195485982814702
Energy: 0.6267500457642462
Energy: 0.5974231395935773
Energy: 0.6950829637303331
Energy: 0.5919166963255064
Energy: 0.6950829637303331
Energy: 0.613259250218802
Energy: 0.640590539964197
Energy: 0.620688940116141
Energy: 0.6405905398100341
Energy: 0.6077670731105353
Energy: 0.6798109657906888
Energy: 0.6147434970935934
Energy: 0.6798109657930738
Energy: 0.6724819325635389
Energy: 0.694255094648099
Energy: 0.6396043403041702
Energy: 0.6942550944828054
Energy: 0.6399389894067298
Energy: 0.6396919603284315
Energy: 0.6860258233406815
Energy: 0.6396919603292265
Energy: 0.6900519671982781
Energy: 0.6356621458566173
Energy: 0.6506274347958528
Energy: 0.6356621458566173
Energy: 0.6465867479959662
Energy: 0.6486828173332889
Energy: 0.6881202650939087
Energy: 0.648682817332494
Energy: 0.6245802931114011
Energy: 0.6964793682013443
Energy: 0.6333427476206486
Energy: 0.6964793682013443
Energy: 0.7336798049834
Energy: 0.6696353197584866
Energy: 0.6135070656655359
Energy: 0.6696353195073845

minimum gb energy = 0.5919166963255064 eV
minimum distance =  2.53531670169871 Angstroms
sigma value = 9


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

Energy: 0.6574249563601249
Energy: 0.7049404188135748
Energy: 0.7323032813156984
Energy: 0.7049404188135748
Energy: 0.6700178688165382
Energy: 0.6621225089280138
Energy: 0.6039262771431575
Energy: 0.6621225089270654
Energy: 0.6131833334103637
Energy: 0.7051812368531547
Energy: 0.6439298720167669
Energy: 0.7051812368531547
Energy: 0.767280042985778
Energy: 0.7359478913076479
Energy: 0.6485767680971896
Energy: 0.735949517217779
Energy: 0.7007903991657557
Energy: 0.6517108682315501
Energy: 0.7225342393427363
Energy: 0.6517108682315501
Energy: 0.613394842817833
Energy: 0.7048894408616815
Energy: 0.7510005486166539
Energy: 0.7048894408616815
Energy: 0.7292536305405701
Energy: 0.7606381456767752
Energy: 0.6393605108203722
Energy: 0.7606381456767752
Energy: 0.6732313279749581
Energy: 0.7096925157649647
Energy: 0.6410662849825647
Energy: 0.709692515765913
Energy: 0.7219273947834329
Energy: 0.6580394166338055
Energy: 0.6670614023969175
Energy: 0.6580394166394744
Energy: 0.6718040687603389
Energy: 0.704818642736334
Energy: 0.6866339483400127
Energy: 0.7048186427372825
Energy: 0.6127653670461862
Energy: 0.6706865825057844
Energy: 0.6209693633012685
Energy: 0.670686582506733
Energy: 0.7224701016388891
Energy: 0.6916348396069131
Energy: 0.6482495912316184
Energy: 0.6916348396069131
Energy: 0.6111558273241732
Energy: 0.7062599906286485
Energy: 0.6651884280678552
Energy: 0.7062599906286485
Energy: 0.7237866984983903
Energy: 0.6373845272355999
Energy: 0.7320168276419468
Energy: 0.6373845272355999
Energy: 0.6098777100452353
Energy: 0.7003234250320606
Energy: 0.6658572933384188
Energy: 0.7003234250301639
Energy: 0.7224510905721325
Energy: 0.6915416557646032
Energy: 0.6367919737658846
Energy: 0.6915416557646032
Energy: 0.6142656789249467
Energy: 0.671035047848892
Energy: 0.614532470184289
Energy: 0.6710350478498405
Energy: 0.6714493690454296
Energy: 0.706121125057369
Energy: 0.6864689191488421
Energy: 0.706121125057369
Energy: 0.632135253335402
Energy: 0.6614609384203178
Energy: 0.6743297628495307
Energy: 0.6614609384203178
Energy: 0.6728641775472292
Energy: 0.7031691286561885
Energy: 0.6360977347758541
Energy: 0.7031691286561885
Energy: 0.6315971475046375
Energy: 0.760651887782849
Energy: 0.6399103067137265
Energy: 0.760651887782849

minimum gb energy = 0.6039262771431575 eV
minimum distance =  2.57477752593059 Angstroms
sigma value = 25


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

Energy: 0.6640610699119751
Energy: 0.7015630121258768
Energy: 0.7196446409977711
Energy: 0.7015630121258768
Energy: 0.6315226218801561
Energy: 0.728039897525979
Energy: 0.6173271480344276
Energy: 0.728039897525979
Energy: 0.7865105783403239
Energy: 0.7642758706463498
Energy: 0.6121433531226169
Energy: 0.7642758706463498
Energy: 0.8309854697536623
Energy: 0.6818313427263964
Energy: 0.6845523863193058
Energy: 0.6818313427263964
Energy: 0.6902416359881348
Energy: 0.6654042265788189
Energy: 0.6618146635426623
Energy: 0.6654042265694359
Energy: 0.6113691590772741
Energy: 0.7577304916405269
Energy: 0.7849221192921034
Energy: 0.757730491639354
Energy: 0.6741986803198423
Energy: 0.6693185039388883
Energy: 0.7013098050009404
Energy: 0.6693185039377153
Energy: 0.6974619608201164
Energy: 0.7064197982016107
Energy: 0.6585098962129595
Energy: 0.7064197982016107
Energy: 0.6129635976046097
Energy: 0.6930770463815846
Energy: 0.6256896642980583
Energy: 0.6930770463804118
Energy: 0.737397288153984
Energy: 0.7151738169687488
Energy: 0.6879493022113342
Energy: 0.7151738169687488
Energy: 0.6234577862585693
Energy: 0.7067600659643893
Energy: 0.7521776854311102
Energy: 0.7067600659643893
Energy: 0.6285308166529852
Energy: 0.6771697424726836
Energy: 0.7265455243018902
Energy: 0.6771697424726836
Energy: 0.6862792606296408
Energy: 0.7690719616640509
Energy: 0.6278677424245543
Energy: 0.7690719616640509
Energy: 0.6212060091453193
Energy: 0.6715204123158042
Energy: 0.7537164782660686
Energy: 0.6715204123158042
Energy: 0.6443040005882121
Energy: 0.7026085906945978
Energy: 0.6834693192124112
Energy: 0.7026085906945978
Energy: 0.6293908652610818
Energy: 0.7167037917222818
Energy: 0.611649993110281
Energy: 0.7167037917234281
Energy: 0.6138605710949877
Energy: 0.6724565748741755
Energy: 0.7250159727946536
Energy: 0.6724565748741755

minimum gb energy = 0.6113691590772741 eV
minimum distance =  2.60435013467452 Angstroms
sigma value = 17


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

Energy: 0.6889105486729327
Energy: 0.7230985362000274
Energy: 0.781412536593416
Energy: 0.7230985362060057
Energy: 0.7028178423209986
Energy: 0.6751908981204192
Energy: 0.6248916506337
Energy: 0.6751908981204192
Energy: 0.7925738680075688
Energy: 0.7076955235563536
Energy: 0.6253353309723628
Energy: 0.7076955235563536
Energy: 0.6671154117950372
Energy: 0.7398773816423673
Energy: 0.6633327357986832
Energy: 0.7398773816423673
Energy: 0.7462132960543374
Energy: 0.7093424381066137
Energy: 0.6481220673152486
Energy: 0.7093424381066137
Energy: 0.6423202245357704
Energy: 0.7416262161548872
Energy: 0.7857297063415696
Energy: 0.741626216154223
Energy: 0.6197557000651533
Energy: 0.6917657863102153
Energy: 0.6344726012610256
Energy: 0.6917657863095511
Energy: 0.7458109784646996
Energy: 0.752072522831439
Energy: 0.6653495908884625
Energy: 0.752072522831439
Energy: 0.6500114477226913
Energy: 0.7147860994186336
Energy: 0.7216116887662463
Energy: 0.7147860994186336
Energy: 0.7644936586125449
Energy: 0.7495372714633028
Energy: 0.634567619133756
Energy: 0.7495372714633028
Energy: 0.6261927500136656
Energy: 0.75364718334669
Energy: 0.8067734405415231
Energy: 0.75364718334669
Energy: 0.6580163435055466
Energy: 0.6728169809151112
Energy: 0.645534783922574
Energy: 0.6728169809151112
Energy: 0.7972719135716684
Energy: 0.7384028047521715
Energy: 0.6992979140713811
Energy: 0.7384028047515071
Energy: 0.6279154989615015
Energy: 0.7628246825853525
Energy: 0.7025594236015514
Energy: 0.7628246825853525
Energy: 0.6858782578706274
Energy: 0.7043328091072946
Energy: 0.6865185512565259
Energy: 0.7043328091079589
Energy: 0.7061497616002234
Energy: 0.7539801556800715
Energy: 0.6914567513550355
Energy: 0.7539801556807358
Energy: 0.6426416509443051
Energy: 0.6974334930253175
Energy: 0.767316869448223
Energy: 0.6974334930246533
Energy: 0.7675364409487906
Energy: 0.6955044216712941
Energy: 0.6447566615029806
Energy: 0.6955044216706299
Energy: 0.6623857670058332
Energy: 0.7076369502975065
Energy: 0.7050887165666314
Energy: 0.7076369502975065
Energy: 0.6419637300034093
Energy: 0.7602454245929167
Energy: 0.6646883530137251
Energy: 0.7602454245929167
Energy: 0.6557914815626581
Energy: 0.7227626983187299
Energy: 0.6958007374440959
Energy: 0.7227626983180656
Energy: 0.6459796127278052
Energy: 0.7140971406083445
Energy: 0.7704848204900507
Energy: 0.7140971425006695
Energy: 0.7017318347956836
Energy: 0.7419635996862566
Energy: 0.6233525050443003
Energy: 0.7419635996855921
Energy: 0.6735892592008886
Energy: 0.6737643440925616
Energy: 0.6923721197566848
Energy: 0.6737643440899045
Energy: 0.6736102236357442
Energy: 0.7257894506467647
Energy: 0.7926679747300304
Energy: 0.7257894506461003
Energy: 0.7111491778504592
Energy: 0.7441411911870417
Energy: 0.6236981358945409
Energy: 0.7441411911863774
Energy: 0.6545010450837164
Energy: 0.723782840051218
Energy: 0.7995719392425359
Energy: 0.72378284003129
Energy: 0.6857790017558669
Energy: 0.7095763214814175
Energy: 0.695200976105441
Energy: 0.7095763214150206
Energy: 0.7684315679837947
Energy: 0.7460940870986498
Energy: 0.659112466450717
Energy: 0.7460940870979855
Energy: 0.665283554418397
Energy: 0.7070694471528225
Energy: 0.7227550005296065
Energy: 0.7070694471528225

minimum gb energy = 0.6197557000651533 eV
minimum distance =  2.49278439613551 Angstroms
sigma value = 53


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

Energy: 0.6715639988462241
Energy: 0.7048683644715092
Energy: 0.7845427853070321
Energy: 0.7048683644715092
Energy: 0.713498909021515
Energy: 0.6486787121405311
Energy: 0.6826279811155493
Energy: 0.6486787121405311
Energy: 0.5838262281536432
Energy: 0.5668967741688041
Energy: 0.6553293699181078
Energy: 0.5668967741688041
Energy: 0.568150423122982
Energy: 0.5667006066627481
Energy: 0.6553155193365283
Energy: 0.5667006066627481
Energy: 0.7961249282469931
Energy: 0.6611876769034251
Energy: 0.7132950154043262
Energy: 0.6611876769064835
Energy: 0.5691926651235762
Energy: 0.5666113529336978
Energy: 0.7861017539398338
Energy: 0.5666113529336978
Energy: 0.6595937475063435
Energy: 0.6486787121420604
Energy: 0.6826279811155493
Energy: 0.6486787121420604
Energy: 0.5838262281536432
Energy: 0.5668967741688041
Energy: 0.6527285960146116
Energy: 0.5668967741688041
Energy: 0.568150423122982
Energy: 0.5667006066642775
Energy: 0.6555038025106094
Energy: 0.5667006066627481
Energy: 0.7961249282469931
Energy: 0.6158981541883658
Energy: 0.6041519049195744
Energy: 0.6158981541883658
Energy: 0.6715639988477533
Energy: 0.7048683644715092
Energy: 0.7861017539688898
Energy: 0.7048683644715092
Energy: 0.7134989090169273
Energy: 0.6486787121405311
Energy: 0.6826279811155493
Energy: 0.6486787121420604
Energy: 0.5838262281521139
Energy: 0.5668967741688041
Energy: 0.654032894166307
Energy: 0.5668967741688041

minimum gb energy = 0.5666113529336978 eV
minimum distance =  2.58767448356765 Angstroms
sigma value = 9


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

Energy: 0.6642976124537927
Energy: 0.7263295843682286
Energy: 0.7806348526692032
Energy: 0.7263295843687946
Energy: 0.7670212310252453
Energy: 0.6790753897801591
Energy: 0.6572834160307557
Energy: 0.6790753897795931
Energy: 0.7196046349424362
Energy: 0.6827882647275682
Energy: 0.6625029610842218
Energy: 0.6827882647292662
Energy: 0.7298535403873821
Energy: 0.7351031116638751
Energy: 0.6632769890793679
Energy: 0.7351031116644411
Energy: 0.7676894236275151
Energy: 0.6811201603435217
Energy: 0.6580689290966221
Energy: 0.6811201604821417
Energy: 0.6370690630715629
Energy: 0.6569975542929092
Energy: 0.8172286114179413
Energy: 0.656997554163345
Energy: 0.8278335080446001
Energy: 0.670185536833852
Energy: 0.6548069885903139
Energy: 0.6701855368349839
Energy: 0.7262103139664133
Energy: 0.7289436459178361
Energy: 0.7286947747074524
Energy: 0.7289436459178361
Energy: 0.7201024432936176
Energy: 0.7539641581340917
Energy: 0.6431139328779618
Energy: 0.7539641581312615
Energy: 0.649773902324593
Energy: 0.6737604635981698
Energy: 0.6511233456909933
Energy: 0.6737604635993018
Energy: 0.6585780872863811
Energy: 0.7324432123977267
Energy: 0.8245144419022998
Energy: 0.7324432123977267
Energy: 0.7493770080822082
Energy: 0.7947058125105944
Energy: 0.6549967020840525
Energy: 0.7947058125105944
Energy: 0.6444308411254911
Energy: 0.7017970093274697
Energy: 0.7659220885948166
Energy: 0.7017970115299551
Energy: 0.7341748437573787
Energy: 0.747016454382292
Energy: 0.6672479433480044
Energy: 0.7470164543828581
Energy: 0.6652523536025668
Energy: 0.7145432905879806
Energy: 0.741286804731184
Energy: 0.7145432905885467
Energy: 0.6459608976881093
Energy: 0.7514293140897892
Energy: 0.7287194838811911
Energy: 0.7514293140897892
Energy: 0.7076909047268606
Energy: 0.7124857302737253
Energy: 0.6608801480714898
Energy: 0.7124857302714613
Energy: 0.6629004078932549
Energy: 0.6784295077111674
Energy: 0.7703280396169147
Energy: 0.6784295077106014
Energy: 0.7114149074832273
Energy: 0.703672458616735
Energy: 0.6385338520016585
Energy: 0.7036724585041512
Energy: 0.6499412436217364
Energy: 0.6969577369102048
Energy: 0.724123106497476
Energy: 0.6969577369169969
Energy: 0.7233956707636318
Energy: 0.7371334328122516
Energy: 0.7143680476904248
Energy: 0.7371334328122516
Energy: 0.7185718129395537
Energy: 0.7074518709984916
Energy: 0.6571745388265215
Energy: 0.7074518709990575
Energy: 0.64400321411765
Energy: 0.7310556587214857
Energy: 0.6437204466777126
Energy: 0.7310556587220517
Energy: 0.8026154696485609
Energy: 0.7298801757339372
Energy: 0.6555509191840586
Energy: 0.7298801757339372
Energy: 0.6519356581720688
Energy: 0.8021484832969377
Energy: 0.8081999003948432
Energy: 0.8021484832969377
Energy: 0.6958305265410933
Energy: 0.6415943091422532
Energy: 0.6523186855750068
Energy: 0.6415931716869668
Energy: 0.7322088306827389
Energy: 0.7109686911707228
Energy: 0.7418434311281374
Energy: 0.7109686911690248
Energy: 0.6743882422861998
Energy: 0.7404504083766422
Energy: 0.7421923254719652
Energy: 0.7404504083772083
Energy: 0.6975170220409161
Energy: 0.6495522605870986
Energy: 0.6456614013009644
Energy: 0.6495522620778567
Energy: 0.6535509187823083
Energy: 0.7975262605755927
Energy: 0.7998240823352488
Energy: 0.7975262605761587
Energy: 0.7680554868455566
Energy: 0.7404463047111213
Energy: 0.6547991242222958
Energy: 0.7404463047111213
Energy: 0.6429214865345433
Energy: 0.6700306997070328
Energy: 0.6423034341034466
Energy: 0.6700306996855245
Energy: 0.6570524193692424
Energy: 0.7276454962247703
Energy: 0.6424497747434239
Energy: 0.7276454962253364
Energy: 0.723349757920487
Energy: 0.7338493507898625
Energy: 0.7334350350091541
Energy: 0.7338493507904286
Energy: 0.6618648030940695
Energy: 0.7809735657207063
Energy: 0.8347547891641557
Energy: 0.7809735657201402

minimum gb energy = 0.6370690630715629 eV
minimum distance =  2.50650360794008 Angstroms
sigma value = 73


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

Energy: 0.6336492787979124
Energy: 0.6451143318622994
Energy: 0.806242068844375
Energy: 0.6451143319008937
Energy: 0.7105415675831795
Energy: 0.7710372911428782
Energy: 0.6665348059246052
Energy: 0.7710373000687847
Energy: 0.7957515329027062
Energy: 0.6794727669111807
Energy: 0.6723549215030667
Energy: 0.6794727669093847
Energy: 0.6570421798704437
Energy: 0.7165962491128284
Energy: 0.6685293400403304
Energy: 0.7165962491137263
Energy: 0.6565388747517422
Energy: 0.6739936020271812
Energy: 0.6784033265012126
Energy: 0.6739936020271812
Energy: 0.6737682325237849
Energy: 0.7310709084872745
Energy: 0.8219389438898584
Energy: 0.7310709084872745
Energy: 0.8422884886995985
Energy: 0.7995744184231541
Energy: 0.6723534501443407
Energy: 0.7995744184222562
Energy: 0.6559378622968567
Energy: 0.6731107799030934
Energy: 0.8201486768124372
Energy: 0.6731107798878273
Energy: 0.8508077652862193
Energy: 0.648965998626471
Energy: 0.6410312321664242
Energy: 0.6489659986282671
Energy: 0.6662425249919416
Energy: 0.6629014267399407
Energy: 0.667758119803691
Energy: 0.6629014267390426
Energy: 0.6628236778389487
Energy: 0.727584179753381
Energy: 0.7979889169715575
Energy: 0.7275841797623611
Energy: 0.780859273646806
Energy: 0.6992729375613119
Energy: 0.6573447084783078
Energy: 0.6992729375613119
Energy: 0.6689814929577987
Energy: 0.6804367825417669
Energy: 0.8344653323906814
Energy: 0.6804367825417669
Energy: 0.7822541674287626
Energy: 0.6763985610451274
Energy: 0.6820834600585832
Energy: 0.6763985610451274
Energy: 0.6567961988892645
Energy: 0.7821648176856408
Energy: 0.7768760452266655
Energy: 0.782164817684743
Energy: 0.7976352729234584
Energy: 0.7299935182367847
Energy: 0.6558853046997263
Energy: 0.7299935182367847
Energy: 0.6465606640929029
Energy: 0.7312162480940758
Energy: 0.672038820825664
Energy: 0.7312162480940758
Energy: 0.6483589082584518
Energy: 0.6714948822773734
Energy: 0.6746066954839088
Energy: 0.6714948822495349
Energy: 0.7435991024070099
Energy: 0.7228547540754418
Energy: 0.6609260219047562
Energy: 0.7228547543088237
Energy: 0.6673806876560001
Energy: 0.7075108722982002
Energy: 0.8400348105902682
Energy: 0.7075108722856279
Energy: 0.7900607770943658
Energy: 0.7542038793209942
Energy: 0.6756524484167562
Energy: 0.7542038793209942
Energy: 0.6679760565365715
Energy: 0.6809213538582093
Energy: 0.8221039725916407
Energy: 0.6809213538582093

minimum gb energy = 0.6336492787979124 eV
minimum distance =  2.53983698191947 Angstroms
sigma value = 7


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

Energy: 0.6531476361089892
Energy: 0.6565100449599041
Energy: 0.8030904484309764
Energy: 0.6565100413179314
Energy: 0.8083099792459105
Energy: 0.7730077088453609
Energy: 0.6752318963695852
Energy: 0.7730077088453609
Energy: 0.7019089969166121
Energy: 0.7249928776104038
Energy: 0.6895344145838206
Energy: 0.7249928777582993
Energy: 0.7092195707585746
Energy: 0.7065911952607611
Energy: 0.666802357506081
Energy: 0.7065911952613961
Energy: 0.6637730864687278
Energy: 0.6820374008000469
Energy: 0.6679185958521999
Energy: 0.682037400801952
Energy: 0.6485457349964302
Energy: 0.7361336257057984
Energy: 0.8055004752290462
Energy: 0.7361336257045284
Energy: 0.8095344268964171
Energy: 0.7358815146579443
Energy: 0.6851438172602938
Energy: 0.7358815146490544
Energy: 0.647118641886808
Energy: 0.8027382543657621
Energy: 0.848777606654325
Energy: 0.8027382543657621
Energy: 0.8490075042889272
Energy: 0.6920968925769201
Energy: 0.6591490125463504
Energy: 0.692096892149137
Energy: 0.6768889328277521
Energy: 0.703891633618987
Energy: 0.7811683770771876
Energy: 0.7038916336006013
Energy: 0.6828698173657234
Energy: 0.737860671630009
Energy: 0.705025773804837
Energy: 0.737860671628739
Energy: 0.6664137775103248
Energy: 0.6760272741142662
Energy: 0.6870852182023118
Energy: 0.6760272741111201
Energy: 0.6616996415242091
Energy: 0.6922662711437686
Energy: 0.7060487282418426
Energy: 0.6922662710491835
Energy: 0.6876709571213524
Energy: 0.6411934804861505
Energy: 0.7127143752205398
Energy: 0.6411934979305295
Energy: 0.6673592976622134
Energy: 0.8010797077282383
Energy: 0.7970003507760125
Energy: 0.8010797077276033
Energy: 0.8118854458013837
Energy: 0.6693271706795624
Energy: 0.6707367466138829
Energy: 0.6693271706808323
Energy: 0.6579471860791247
Energy: 0.7336607092044567
Energy: 0.8218198383700337
Energy: 0.7336607092057266
Energy: 0.6588038544498495
Energy: 0.7214036629043332
Energy: 0.6946319947306311
Energy: 0.7214036629036982
Energy: 0.6499173227838938
Energy: 0.7610957727278345
Energy: 0.7980141317874783
Energy: 0.7610957727303744
Energy: 0.6635311167550516
Energy: 0.679078829249618
Energy: 0.6794184758490369
Energy: 0.6790788292439031
Energy: 0.8122644185470644
Energy: 0.7417667413395368
Energy: 0.660536024039426
Energy: 0.7417667413452518
Energy: 0.6704381195442612
Energy: 0.7498447712560431
Energy: 0.767499088811128
Energy: 0.7498448835465596
Energy: 0.8436054759361375
Energy: 0.7652054011568825
Energy: 0.6808495899320676
Energy: 0.7652054011530726
Energy: 0.6587638105379076
Energy: 0.7182041490838317
Energy: 0.8347190260996014
Energy: 0.7182041490692269
Energy: 0.7242864994789913
Energy: 0.6807988042511554
Energy: 0.6605291783862045
Energy: 0.6807988042536952
Energy: 0.7066780367304641
Energy: 0.7294329533084518
Energy: 0.6822163631105752
Energy: 0.7294329533090869
Energy: 0.6777967642275465
Energy: 0.6925795600695223
Energy: 0.6504482562151819
Energy: 0.6925795600701571
Energy: 0.7055190434739431
Energy: 0.6746977297300427
Energy: 0.6666236206075604
Energy: 0.6746981592865319
Energy: 0.6538477894163551
Energy: 0.744051740203173
Energy: 0.7333658980779473
Energy: 0.744051740203173
Energy: 0.75444651173484
Energy: 0.726524012848927
Energy: 0.674579693899739
Energy: 0.726524012848927
Energy: 0.6538506608999313
Energy: 0.744053962020154
Energy: 0.7580986147820364
Energy: 0.744053962021424

minimum gb energy = 0.6411934804861505 eV
minimum distance =  2.51920261819719 Angstroms
sigma value = 29


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

Energy: 0.7964320250525178
Energy: 0.6881809288344743
Energy: 0.7493661195472258
Energy: 0.6881809288344743
Energy: 0.7364875379254132
Energy: 0.7546172360183411
Energy: 0.7094309952619062
Energy: 0.7546172360187589
Energy: 0.6191891647590595
Energy: 0.641523641977865
Energy: 0.7480158004487023
Energy: 0.641523641975899
Energy: 0.6425339754397352
Energy: 0.6249932561778366
Energy: 0.7102476392343594
Energy: 0.624993256177419
Energy: 0.7059639357226432
Energy: 0.590395420400474
Energy: 0.6213633901857795
Energy: 0.5903954191466442
Energy: 0.6624898913413806
Energy: 0.6369858130289104
Energy: 0.6633751960136087
Energy: 0.6369858130293283
Energy: 0.5752827855946252
Energy: 0.5905348648381729
Energy: 0.7053845590636733
Energy: 0.5905348648370915
Energy: 0.6963655824718817
Energy: 0.6252371145167016
Energy: 0.6693260300123243
Energy: 0.6252371145223296
Energy: 0.740459051740921
Energy: 0.6561269486690475
Energy: 0.65581589819478
Energy: 0.656126948669244

minimum gb energy = 0.5752827855946252 eV
minimum distance =  2.61401764871736 Angstroms
sigma value = 5


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

Energy: 0.624908239378975
Energy: 0.6176489581933368
Energy: 0.8408253394910977
Energy: 0.6176489581933368
Energy: 0.7703440792523344
Energy: 0.6961833184546284
Energy: 0.6470627460186714
Energy: 0.6961833189114786
Energy: 0.6091047981148582
Energy: 0.6046403257683567
Energy: 0.7814302914407244
Energy: 0.6046403257689564
Energy: 0.730682008554011
Energy: 0.698762751870216
Energy: 0.6147059381919076
Energy: 0.6987627518696162
Energy: 0.6485161839998668
Energy: 0.6440231648953944
Energy: 0.7887336903635733
Energy: 0.6440231648240422
Energy: 0.7066210546802824
Energy: 0.6189727906407878
Energy: 0.6029138897555996
Energy: 0.6189727906407878
Energy: 0.6206858057983008
Energy: 0.698465154635827
Energy: 0.6687381856194661
Energy: 0.6984651542712957
Energy: 0.6173660316906694
Energy: 0.619459937832927
Energy: 0.6559408186603632
Energy: 0.619459937832927
Energy: 0.61144092348744
Energy: 0.6424752063148341
Energy: 0.6661419968126998
Energy: 0.6424752063154341
Energy: 0.6186441717421968
Energy: 0.6456011320613281
Energy: 0.6314087827059155
Energy: 0.6456011320409338
Energy: 0.6914148818378941
Energy: 0.7038823108709882
Energy: 0.6114953200491156
Energy: 0.703882310871588
Energy: 0.6228624419348844
Energy: 0.6954689526516601
Energy: 0.6184091384989665
Energy: 0.6954689526390909
Energy: 0.8368141774885397
Energy: 0.6187916239058571
Energy: 0.620446505721406
Energy: 0.6187916239058571
Energy: 0.631120517041843
Energy: 0.6690638785283156
Energy: 0.8011128346012376
Energy: 0.6690638785301151
Energy: 0.7889006782092588
Energy: 0.7542690781429878
Energy: 0.6132053799720945
Energy: 0.7542690781435877
Energy: 0.6061222573806928
Energy: 0.6049114390111668
Energy: 0.7498736403400551
Energy: 0.6049114390111668
Energy: 0.7899675317347582
Energy: 0.6850039916888089
Energy: 0.6603606553003964
Energy: 0.6850039916870094
Energy: 0.6250743451922302
Energy: 0.618205109204479
Energy: 0.7645210960168505
Energy: 0.6182051092026795
Energy: 0.7348906423032291
Energy: 0.7034766304272314
Energy: 0.6098344255315623
Energy: 0.7034766304458261
Energy: 0.6476493700625738
Energy: 0.7625590651962476
Energy: 0.6385453426308763
Energy: 0.7625590651956479
Energy: 0.6654400106445457
Energy: 0.6880109890726728
Energy: 0.6114212418650894
Energy: 0.6880109890732727
Energy: 0.6730109724737635
Energy: 0.6425444285118561
Energy: 0.6158103837657112
Energy: 0.6425444285112561
Energy: 0.6531681770255602
Energy: 0.7171462208747793
Energy: 0.6492489900866214
Energy: 0.7171462208741793
Energy: 0.6176793362700733
Energy: 0.7254100490117933
Energy: 0.6227505970266347
Energy: 0.7254100490117933
Energy: 0.6177359049093382
Energy: 0.6304749567919277
Energy: 0.6614085546053537
Energy: 0.6304689053646716
Energy: 0.6953737625936015
Energy: 0.7049109437139459
Energy: 0.650756770992482
Energy: 0.7049109437139459
Energy: 0.6452452873855758
Energy: 0.6898377962101606
Energy: 0.7795883424724263
Energy: 0.6898377962107604
Energy: 0.7058609962199475
Energy: 0.7530608068553715
Energy: 0.605732602216805
Energy: 0.7530608068559712
Energy: 0.6178848049185386
Energy: 0.7920376276405142
Energy: 0.7953149383906061
Energy: 0.7920376276405142
Energy: 0.8580016353776486
Energy: 0.6698832387778525
Energy: 0.6214319563223435
Energy: 0.6698832387778525
Energy: 0.6066473158229612
Energy: 0.6383871924443637
Energy: 0.856705791348551
Energy: 0.638387192446763
Energy: 0.7864803154605823
Energy: 0.7156606875499855
Energy: 0.625991484712015
Energy: 0.7156606875487856
Energy: 0.6091727495256455
Energy: 0.6872776639182134
Energy: 0.7915670385708438
Energy: 0.6872776639254113

minimum gb energy = 0.6029138897555996 eV
minimum distance =  2.51399764758907 Angstroms
sigma value = 1


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

Energy: 0.5911179572447408
Energy: 0.5899839708830078
Energy: 0.8279766492448528
Energy: 0.5899839708838371
Energy: 0.7861876936108531
Energy: 0.7763547765600728
Energy: 0.6008547362612962
Energy: 0.776354776560902
Energy: 0.5720153620263734
Energy: 0.6646074947583912
Energy: 0.7474161837162483
Energy: 0.6646074947592204
Energy: 0.7338691207357101
Energy: 0.6281656139924519
Energy: 0.5874297596320527
Energy: 0.6281656140007456
Energy: 0.6015421703380768
Energy: 0.6915914584530597
Energy: 0.760464254904926
Energy: 0.6915914584555478
Energy: 0.6313171414848346
Energy: 0.6894551624614316
Energy: 0.5904091071075704
Energy: 0.6894551624606022
Energy: 0.6276557977443226
Energy: 0.6379146338899381
Energy: 0.6921659327894835
Energy: 0.6379146338907674
Energy: 0.638363404294801
Energy: 0.5907494489496453
Energy: 0.6347230830449756
Energy: 0.5907494489496453
Energy: 0.5897198521601535
Energy: 0.6018040900859979
Energy: 0.6254067913052765
Energy: 0.6018041188503699
Energy: 0.589836769968258
Energy: 0.6013229490465365
Energy: 0.6137690225835707
Energy: 0.6013221195468818
Energy: 0.6350216546776456
Energy: 0.7172577372404867
Energy: 0.6409036946926472
Energy: 0.7172577372404867
Energy: 0.6289814718098602
Energy: 0.6381403320802982
Energy: 0.6613103346816138
Energy: 0.6381403320811274
Energy: 0.6292973851659132
Energy: 0.6763031941563229
Energy: 0.5892675185348194
Energy: 0.676303194648737
Energy: 0.6286773793453595
Energy: 0.6919269318927136
Energy: 0.7334310347067469
Energy: 0.6919269319341628
Energy: 0.732804521835632
Energy: 0.6219908136251716
Energy: 0.589159356775636
Energy: 0.6219908136251716
Energy: 0.5766191606865726
Energy: 0.6645547602327881
Energy: 0.7720730888905463
Energy: 0.6645547602336175
Energy: 0.785859850312611
Energy: 0.7544616745755667
Energy: 0.6013692627453293
Energy: 0.7544616745755667
Energy: 0.5911179572447408
Energy: 0.5899839708830078
Energy: 0.7698105375722681
Energy: 0.5899839708838371
Energy: 0.7861876936116825
Energy: 0.776354776560902
Energy: 0.6008547362612962
Energy: 0.7763547765600728
Energy: 0.5720153620272028
Energy: 0.6646074947592204
Energy: 0.7573583244888183
Energy: 0.6646074947592204
Energy: 0.7338691207348809
Energy: 0.6281656139932813
Energy: 0.5874297596270764
Energy: 0.6281656139916226
Energy: 0.6015421705735209
Energy: 0.6915914584306858
Energy: 0.7604642549057552
Energy: 0.6915914584298565
Energy: 0.6313170732355692
Energy: 0.6894551624614316
Energy: 0.5904091071075704
Energy: 0.6894551624606022
Energy: 0.6276557977443226
Energy: 0.6379146338907674
Energy: 0.6921659327845073
Energy: 0.6379146338899381

minimum gb energy = 0.5720153620263734 eV
minimum distance =  2.53932890480606 Angstroms
sigma value = 17


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

Energy: 0.5941868169599409
Energy: 0.6165756989644705
Energy: 0.8245309944954639
Energy: 0.616575698913722
Energy: 0.7127600416440948
Energy: 0.6548213427246028
Energy: 0.5921910626620899
Energy: 0.6548213427179389
Energy: 0.5803360904444569
Energy: 0.6002365142032478
Energy: 0.7454812331585958
Energy: 0.6002365142104243
Energy: 0.8175338576728609
Energy: 0.6659356574622697
Energy: 0.5824627946662878
Energy: 0.6659356574638076
Energy: 0.5872026058572639
Energy: 0.6814955525927916
Energy: 0.7509627738492648
Energy: 0.6814956703020897
Energy: 0.6006289879190937
Energy: 0.7223512247789576
Energy: 0.5924536237870291
Energy: 0.7223512247789576
Energy: 0.6033046468158755
Energy: 0.669412066520441
Energy: 0.6503736203109086
Energy: 0.6694120665194158
Energy: 0.6580647167685236
Energy: 0.6754487889023802
Energy: 0.6136708298809097
Energy: 0.6754487889044307
Energy: 0.6066748501032624
Energy: 0.6875776239498202
Energy: 0.6430422955236066
Energy: 0.6875776239487951
Energy: 0.6062294025522323
Energy: 0.6896438296970646
Energy: 0.6226703051814092
Energy: 0.6896438296960393
Energy: 0.6093696448627703
Energy: 0.7111258647000706
Energy: 0.6159035520495442
Energy: 0.7111258647005831
Energy: 0.6182422916846655
Energy: 0.6167729193371495
Energy: 0.6003419731174119
Energy: 0.6167729193652965
Energy: 0.6077536642351684
Energy: 0.7237086237265595
Energy: 0.6167972317235615
Energy: 0.7237086237270721
Energy: 0.6214240827475377
Energy: 0.6905455466257893
Energy: 0.60109099520432
Energy: 0.6905455466273271
Energy: 0.6333549402787897
Energy: 0.7165467865272049
Energy: 0.6028454477646314
Energy: 0.7165467865266923
Energy: 0.6112762484706892
Energy: 0.6700266027197699
Energy: 0.7484519193862605
Energy: 0.6700266027172069
Energy: 0.6139515485208898
Energy: 0.6638010505876084
Energy: 0.6188085531943425
Energy: 0.6638010500275577
Energy: 0.5758850966518739
Energy: 0.6518142416101639
Energy: 0.7816365131045728
Energy: 0.6518142404793443
Energy: 0.7519721906082599
Energy: 0.6615818085242091
Energy: 0.5885711360002571
Energy: 0.6615818090253095
Energy: 0.5876985194766886
Energy: 0.5845973743914461
Energy: 0.7219418678321672
Energy: 0.5845973729998473
Energy: 0.7313013776781792
Energy: 0.6584353555049486
Energy: 0.6115228245887256
Energy: 0.6584353555064864
Energy: 0.608863635276527
Energy: 0.6811476864396221
Energy: 0.7345811199659907
Energy: 0.6811476864396221
Energy: 0.736870883199315
Energy: 0.6532982241557226
Energy: 0.5896658595008144
Energy: 0.6532982241398317
Energy: 0.593578300037039
Energy: 0.6667875252868394
Energy: 0.7142145062627041
Energy: 0.666787524092456
Energy: 0.6861554730178498
Energy: 0.6604356051067057
Energy: 0.5823897853078603
Energy: 0.6604356051630466
Energy: 0.6201981378668345
Energy: 0.6261717477858489
Energy: 0.6486311707322641
Energy: 0.6261717477955419
Energy: 0.7065994930777986
Energy: 0.6670755637602346
Energy: 0.6182515554398403
Energy: 0.6670755637592095
Energy: 0.6068814002879248
Energy: 0.6692283398345291
Energy: 0.5890243006581327
Energy: 0.6692283398294029
Energy: 0.6238793581200447
Energy: 0.6940760356824844
Energy: 0.6258471074433123
Energy: 0.6940760356804341
Energy: 0.6431294006032954
Energy: 0.720253106243689
Energy: 0.6802500769759297
Energy: 0.720253106243689
Energy: 0.6160582723648044
Energy: 0.6242852217301391
Energy: 0.5857174241261279
Energy: 0.6242852217311643
Energy: 0.6236311204103827
Energy: 0.7084036812618671
Energy: 0.5884992885652096
Energy: 0.7084036812623331
Energy: 0.6122672935400868
Energy: 0.6616010819551514
Energy: 0.7146065886552736
Energy: 0.6616010819541263
Energy: 0.6383357550253325
Energy: 0.6869249754933904
Energy: 0.6218800949290619
Energy: 0.6869249754944156
Energy: 0.5845502854975558
Energy: 0.6758985746620276
Energy: 0.6620526191992657
Energy: 0.6758985746625401
Energy: 0.5855497387735478
Energy: 0.6797255117521451
Energy: 0.6432108871659743
Energy: 0.6797255117521451
Energy: 0.5901880960957852
Energy: 0.7206902537377425
Energy: 0.7187490349639672
Energy: 0.7206902537382553
Energy: 0.7421930644443215
Energy: 0.6843228677130151
Energy: 0.621629964935544
Energy: 0.6843228677130151

minimum gb energy = 0.5758850966518739 eV
minimum distance =  2.52472455856922 Angstroms
sigma value = 89


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

Energy: 0.516627543518815
Energy: 0.5508366515746763
Energy: 0.6914739084855719
Energy: 0.5508366515746763
Energy: 0.6502291097010084
Energy: 0.5447676474823088
Energy: 0.6178878321368785
Energy: 0.5447675988458958
Energy: 0.5385192480355556
Energy: 0.6191004768848584
Energy: 0.7407840013432065
Energy: 0.6191004768835323
Energy: 0.7657818045807876
Energy: 0.5454022346765487
Energy: 0.621137216702676
Energy: 0.5454022332608243
Energy: 0.6207798297689112
Energy: 0.6467871430960048
Energy: 0.7203526910196526
Energy: 0.6467871430960048
Energy: 0.5632735791731766
Energy: 0.5241342639638626
Energy: 0.5227898649741489
Energy: 0.5241342639491088
Energy: 0.5348822630628922
Energy: 0.6187556369576018
Energy: 0.6348809085442593
Energy: 0.6187556369562605
Energy: 0.6493092907414166
Energy: 0.70945242203426
Energy: 0.5443346918117427
Energy: 0.7094524220356011
Energy: 0.6190486238412765
Energy: 0.560600692182899
Energy: 0.6545339925145104
Energy: 0.560600692182899
Energy: 0.7364093216775455
Energy: 0.6398595490547125
Energy: 0.6316598301914064
Energy: 0.6398595490506888
Energy: 0.5363265898044566
Energy: 0.5461516924576333
Energy: 0.5519263127215663
Energy: 0.546151692456292
Energy: 0.5183376045076825
Energy: 0.6188734686322193
Energy: 0.5395693528346316
Energy: 0.6188734686322193
Energy: 0.628167089924335
Energy: 0.6401330764394123
Energy: 0.5501190129031012
Energy: 0.6401330764394123
Energy: 0.6284558183281153
Energy: 0.5523459049533682
Energy: 0.6314054845704047
Energy: 0.5523459049533682
Energy: 0.517217930056918
Energy: 0.6462745357076687
Energy: 0.6197815988409027
Energy: 0.6462745357076687

minimum gb energy = 0.516627543518815 eV
minimum distance =  2.55005801316403 Angstroms
sigma value = 13


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

Energy: 0.5396245057176624
Energy: 0.6551627951771389
Energy: 0.6846659529430481
Energy: 0.6551627951765767
Energy: 0.6716468528536886
Energy: 0.6658930831441935
Energy: 0.5229396637292819
Energy: 0.665893083142507
Energy: 0.5190324917684714
Energy: 0.6778933784799958
Energy: 0.733687071254976
Energy: 0.6778933784828066
Energy: 0.7641694505034129
Energy: 0.668621161386755
Energy: 0.515637925825509
Energy: 0.6686211613890036
Energy: 0.5313749503478273
Energy: 0.7015600959542813
Energy: 0.6377857590934175
Energy: 0.7015600959554056
Energy: 0.6543546748109683
Energy: 0.6126479290947542
Energy: 0.5255968778383983
Energy: 0.6126479290829486
Energy: 0.5313968568840342
Energy: 0.6893371635364719
Energy: 0.6282548183733386
Energy: 0.6893371635386949
Energy: 0.7114024959287062
Energy: 0.6982276640450118
Energy: 0.5252873538568105
Energy: 0.698227664045574
Energy: 0.5314119106506582
Energy: 0.688935785182209
Energy: 0.6670666959322626
Energy: 0.6889357851838955
Energy: 0.6330500689490407
Energy: 0.6739022834148995
Energy: 0.5161003752485913
Energy: 0.6739022834143373
Energy: 0.5320106063953016
Energy: 0.6512683601107372
Energy: 0.5325739372229529
Energy: 0.6512683601101751
Energy: 0.6929368306618064
Energy: 0.6739611170894363
Energy: 0.5602284620637628
Energy: 0.6739611170860633
Energy: 0.5476580579898009
Energy: 0.6774294745650346
Energy: 0.5480454673300961
Energy: 0.6774294745639101
Energy: 0.6931338574937397
Energy: 0.6149283451214081
Energy: 0.5616806629722569
Energy: 0.6149283451208459
Energy: 0.5306967531496317
Energy: 0.6818009845926218
Energy: 0.5804855626236687
Energy: 0.6818009845909354
Energy: 0.5141105432145586
Energy: 0.6152085197632362
Energy: 0.534034794387683
Energy: 0.615208519762674
Energy: 0.5247464311969181
Energy: 0.6591804293707326
Energy: 0.5629022036684758
Energy: 0.659180429371295
Energy: 0.5307839116696143
Energy: 0.7144369280704569
Energy: 0.5454055847499968
Energy: 0.7144369280743921
Energy: 0.5241903120117781
Energy: 0.6900512145820231
Energy: 0.5210553970884432
Energy: 0.6900512145820231
Energy: 0.5252625760643966
Energy: 0.6895839089315196
Energy: 0.5229189049405086
Energy: 0.6895839089309573
Energy: 0.5326127373242414
Energy: 0.7140522885350097
Energy: 0.5210006956783151
Energy: 0.7140522885333231
Energy: 0.5325212501952181
Energy: 0.6544587068659478
Energy: 0.5343881183702822
Energy: 0.6544587068670722
Energy: 0.5130690415792464
Energy: 0.6149188861602087
Energy: 0.5693021611681403
Energy: 0.6149188861607708
Energy: 0.5320181711578862
Energy: 0.6840936889597867
Energy: 0.5572421650584386
Energy: 0.6840936889597867
Energy: 0.6910510151399791
Energy: 0.6161731261444833
Energy: 0.5588524689272367
Energy: 0.616173126153478
Energy: 0.5427133953875332
Energy: 0.6775812508002413
Energy: 0.5235874861145653
Energy: 0.6775812508024901
Energy: 0.6933376962218067
Energy: 0.6726545884509364
Energy: 0.5683982783422031
Energy: 0.6726545884380064
Energy: 0.5313516778381707
Energy: 0.6394818073191286
Energy: 0.5300940063814743
Energy: 0.6394818073185664
Energy: 0.6254915278986026
Energy: 0.6729430172546983
Energy: 0.521625968077878
Energy: 0.6729430172524495
Energy: 0.5301634695705406
Energy: 0.6887103117633835
Energy: 0.6826354213993633
Energy: 0.6887103117650699
Energy: 0.7104822021932216
Energy: 0.6981555557455164
Energy: 0.5240085311346018
Energy: 0.6981555557466406
Energy: 0.53144756246998
Energy: 0.6877185657643715
Energy: 0.6471575162485261
Energy: 0.6877185657801124
Energy: 0.6454036926058544
Energy: 0.6107989428130873
Energy: 0.5269636955375205
Energy: 0.6107989428198333
Energy: 0.531698814131255
Energy: 0.6124812315352587
Energy: 0.5951431046814469
Energy: 0.6124812280198877
Energy: 0.7649140159153186
Energy: 0.668545572367369
Energy: 0.5118591927515825
Energy: 0.6685455723684934

minimum gb energy = 0.5118591927515825 eV
minimum distance =  2.47018637309404 Angstroms
sigma value = 37


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

Energy: 0.5648006006123362
Energy: 0.573520844039848
Energy: 0.6782748403534251
Energy: 0.5735208440388808
Energy: 0.6523684801544752
Energy: 0.6034260071574977
Energy: 0.4769472318916178
Energy: 0.6034260072686588
Energy: 0.49721567839323716
Energy: 0.6181583196217924
Energy: 0.6378067835363151
Energy: 0.6181583196208251
Energy: 0.7083439393956416
Energy: 0.5632202735712938
Energy: 0.4855699726090382
Energy: 0.5632202735712938
Energy: 0.48358212244475796
Energy: 0.6026437932640253
Energy: 0.7089234872386472
Energy: 0.6026437932640253
Energy: 0.6562515672562529
Energy: 0.6591221891173571
Energy: 0.5320896400114231
Energy: 0.6591221891163899
Energy: 0.5031043402120094
Energy: 0.7274189950860209
Energy: 0.6552571730475368
Energy: 0.7274189950860209
Energy: 0.48732968829625267
Energy: 0.4973628113407912
Energy: 0.4973515545667257
Energy: 0.4973628113407912
Energy: 0.4804817951131754
Energy: 0.6029505965446293
Energy: 0.5931443950839128
Energy: 0.6029505977153716
Energy: 0.6323767079219568
Energy: 0.6123067415225154
Energy: 0.5332497567604897
Energy: 0.6123067415225154
Energy: 0.4983417787173748
Energy: 0.7094741327421908
Energy: 0.5292188597405574
Energy: 0.7094741327421908
Energy: 0.7410042604470491
Energy: 0.6161494098404576
Energy: 0.4888687872826507
Energy: 0.6161494098404576
Energy: 0.5395157373231984
Energy: 0.6580796216030568
Energy: 0.48197892272023485
Energy: 0.6580796216224006
Energy: 0.7330847617461722
Energy: 0.7187438657092687
Energy: 0.479799422749299
Energy: 0.7187438657092687
Energy: 0.5766133146688079
Energy: 0.5929057219117789
Energy: 0.47741489800405823
Energy: 0.5929057223226598
Energy: 0.5648940971535299
Energy: 0.6025603155638364
Energy: 0.47886466124127597
Energy: 0.6025603153076403
Energy: 0.5395831113170219
Energy: 0.7213797154843565
Energy: 0.5147225938761784
Energy: 0.7213797154843565
Energy: 0.5305888052068405
Energy: 0.7176546390151662
Energy: 0.5859242066355741
Energy: 0.7176546390161335
Energy: 0.4841552834346638
Energy: 0.617398086768963
Energy: 0.4870573676068745
Energy: 0.6173980867699302
Energy: 0.4831565719632394
Energy: 0.6613274166853376
Energy: 0.5300875132935676
Energy: 0.6613274166853376

minimum gb energy = 0.4769472318916178 eV
minimum distance =  2.4995276090303 Angstroms
sigma value = 25


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

Energy: 0.47518920835192824
Energy: 0.6158787453771772
Energy: 0.6674406996842126
Energy: 0.6158787453771772
Energy: 0.6259115860164901
Energy: 0.6310653020657425
Energy: 0.44756877448512317
Energy: 0.6310653020657425
Energy: 0.44080013669489343
Energy: 0.4455953433336015
Energy: 0.712216288604594
Energy: 0.44559534277797763
Energy: 0.5327401369161301
Energy: 0.626487818312437
Energy: 0.44782277489144406
Energy: 0.626487818312437
Energy: 0.44656060509271606
Energy: 0.6217103513321522
Energy: 0.4347751226233882
Energy: 0.6217103513321522
Energy: 0.6243045818990108
Energy: 0.6322853188683284
Energy: 0.44796297666289203
Energy: 0.6322853188683284
Energy: 0.45178749923291023
Energy: 0.5267664784551526
Energy: 0.5341764096911533
Energy: 0.5267665484840524
Energy: 0.7537376755127503
Energy: 0.566454451560318
Energy: 0.4417992759862218
Energy: 0.5664544515610734
Energy: 0.445959907386054
Energy: 0.6313811653504966
Energy: 0.6532047323271031
Energy: 0.6313811653497414
Energy: 0.4358077500776848
Energy: 0.6246232219042835
Energy: 0.4758719192918148
Energy: 0.6246232219042835
Energy: 0.4519723888796162
Energy: 0.5382529818995925
Energy: 0.6264827558848708
Energy: 0.5382529546373577
Energy: 0.7128233164430954
Energy: 0.6655110961773346
Energy: 0.44254339050674146
Energy: 0.6655110961765794
Energy: 0.44599326536467837
Energy: 0.6304601580578925
Energy: 0.5368347473266639
Energy: 0.6304601580571372
Energy: 0.7071138805329553
Energy: 0.6358827165676246
Energy: 0.44800255632377595
Energy: 0.6358827165683798
Energy: 0.4528837794176844
Energy: 0.5439193594673114
Energy: 0.43581643840988743
Energy: 0.5439193594680668
Energy: 0.6158869926537578
Energy: 0.6675170127382397
Energy: 0.44737097404414655
Energy: 0.6675170127374845
Energy: 0.44527139340730654
Energy: 0.5659236479009783
Energy: 0.7627372827720732
Energy: 0.5659236479017333
Energy: 0.5264881146180511
Energy: 0.6322736064502348
Energy: 0.4474482926476608
Energy: 0.63227360645099
Energy: 0.4741692835082622
Energy: 0.6297566906537894
Energy: 0.44791276999627777
Energy: 0.6297566906537894
Energy: 0.6006218628543738
Energy: 0.6529079985654731
Energy: 0.4468835123674766
Energy: 0.6529079985647178
Energy: 0.44550028844763273
Energy: 0.6615642151803365
Energy: 0.5976568445887062
Energy: 0.6615642151795812
Energy: 0.44349903055983064
Energy: 0.6377794764290405
Energy: 0.44678994436126496
Energy: 0.6377794764290405
Energy: 0.4473443468360057
Energy: 0.6414060040275474
Energy: 0.5566936414452218
Energy: 0.6414060040275474
Energy: 0.4283417461788204
Energy: 0.6498682556924508
Energy: 0.4472660365293855
Energy: 0.6498682556924508
Energy: 0.44667694040420025
Energy: 0.6725811857376772
Energy: 0.609735021615574
Energy: 0.6725811857369219
Energy: 0.43725778387752984
Energy: 0.5662901979875018
Energy: 0.44685627109413856
Energy: 0.5662901979875018

minimum gb energy = 0.4283417461788204 eV
minimum distance =  2.5477058008709 Angstroms
sigma value = 41


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

Energy: 0.5566913319599809
Energy: 0.5664814534125102
Energy: 0.5760188035082158
Energy: 0.5664814534125102
Energy: 0.6406256448438795
Energy: 0.5561189075945744
Energy: 0.4079482677976764
Energy: 0.5561189075939552
Energy: 0.42029504869249673
Energy: 0.5501474555861261
Energy: 0.6758023298954263
Energy: 0.5501474555855067
Energy: 0.565988761737924
Energy: 0.5552652383158314
Energy: 0.4062553425663016
Energy: 0.5552652383170696
Energy: 0.4019954287662841
Energy: 0.5743483739006533
Energy: 0.5089969940107599
Energy: 0.5743483739012725
Energy: 0.4920900537919097
Energy: 0.5632939919067607
Energy: 0.407022910750899
Energy: 0.563293991907999
Energy: 0.40541569856545145
Energy: 0.5550719321975199
Energy: 0.6400230373420964
Energy: 0.5550719321975199
Energy: 0.5944400826948367
Energy: 0.4938185981459583
Energy: 0.4027216459402407
Energy: 0.49381859814905427
Energy: 0.41098836461261834
Energy: 0.6025884851657055
Energy: 0.625600760330503
Energy: 0.6025884851669439
Energy: 0.7442221330648282
Energy: 0.561134120263814
Energy: 0.42104574575447934
Energy: 0.561134120263814
Energy: 0.4056456713619069
Energy: 0.564762993398932
Energy: 0.6869228737238966
Energy: 0.5647629933995512
Energy: 0.4122021655543219
Energy: 0.5769776156554666
Energy: 0.5559266302043125
Energy: 0.5769776156554666
Energy: 0.40968499328541336
Energy: 0.5875103862174252
Energy: 0.6601753865934502
Energy: 0.5875103862174252
Energy: 0.6730932810035017
Energy: 0.6246434092337767
Energy: 0.42114366977679163
Energy: 0.6246434092337767
Energy: 0.40530887253301895
Energy: 0.5645280655900169
Energy: 0.7325337780899013
Energy: 0.5645280655900169
Energy: 0.672178624872266
Energy: 0.5873942622498507
Energy: 0.40274478652943596
Energy: 0.5873942622504698
Energy: 0.40991122608558583
Energy: 0.5844564008700996
Energy: 0.4918488906646062
Energy: 0.5844564008707188
Energy: 0.5190961855504654
Energy: 0.6269061951122678
Energy: 0.4066270969961204
Energy: 0.6269061951122678
Energy: 0.40607688147868953
Energy: 0.5035142217831159
Energy: 0.5894543398600163
Energy: 0.5035142217824967
Energy: 0.4938582467958277
Energy: 0.5930738122708978
Energy: 0.4120853211850026
Energy: 0.5930738122708978
Energy: 0.4234783914878764
Energy: 0.5836244746519037
Energy: 0.6146657407274222
Energy: 0.5836244746519037
Energy: 0.6938456037331147
Energy: 0.6284137495501382
Energy: 0.4062294352496671
Energy: 0.6284137495495191
Energy: 0.5603880142594063
Energy: 0.5740769222272778
Energy: 0.4221541222277444
Energy: 0.5740769222278971
Energy: 0.5448143029875556
Energy: 0.5888413070968482
Energy: 0.4138377371656421
Energy: 0.5888413070968482
Energy: 0.42343688401518914
Energy: 0.6075557897199584
Energy: 0.4156700218221157
Energy: 0.6075557897187199
Energy: 0.6330332728364997
Energy: 0.6169256648899397
Energy: 0.40610723916008007
Energy: 0.6169256648917971
Energy: 0.4049853557235916
Energy: 0.5845988213493071
Energy: 0.6646687018879153
Energy: 0.5845988213505454
Energy: 0.4095644196301576
Energy: 0.5880465632377498
Energy: 0.4122090159802089
Energy: 0.5880465632371307
Energy: 0.40917275689120064
Energy: 0.6262385735673899
Energy: 0.5764259735955884
Energy: 0.6262385735673899
Energy: 0.43874308226214204
Energy: 0.6129646392703849
Energy: 0.40976188554656273
Energy: 0.6129646392710041
Energy: 0.4199317772670295
Energy: 0.5969583626809072
Energy: 0.4834563371908703
Energy: 0.5969583626809072
Energy: 0.4004909864735159
Energy: 0.5942296369174973
Energy: 0.4213190326562304
Energy: 0.5942296369249276

minimum gb energy = 0.4004909864735159 eV
minimum distance =  2.53212564902023 Angstroms
sigma value = 15


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

Energy: 0.5154735175836858
Energy: 0.5678174891033752
Energy: 0.5690423612992053
Energy: 0.5678174891028507
Energy: 0.7639062672767429
Energy: 0.5342797789014921
Energy: 0.387836721565336
Energy: 0.5342797789009676
Energy: 0.401487978360725
Energy: 0.5130320762317573
Energy: 0.6465950181795361
Energy: 0.5130320762317573
Energy: 0.7391145447839416
Energy: 0.5434707162756067
Energy: 0.38758757206221517
Energy: 0.5434707162761311
Energy: 0.3841270705352607
Energy: 0.6159613665128478
Energy: 0.554660550137024
Energy: 0.6159613665128478
Energy: 0.5178269909717266
Energy: 0.5312349467856828
Energy: 0.3880829610502035
Energy: 0.5312349467856828
Energy: 0.3868010217505632
Energy: 0.5217484041268645
Energy: 0.45521734141548564
Energy: 0.5217484041273891
Energy: 0.4577200799292997
Energy: 0.5263909633111257
Energy: 0.3880656566651412
Energy: 0.5263909633121747
Energy: 0.38937584525020247
Energy: 0.5773295755359255
Energy: 0.49417153601127
Energy: 0.5773295755364499
Energy: 0.5640314747048288
Energy: 0.5299730529978662
Energy: 0.38467005662926684
Energy: 0.5299730529978662
Energy: 0.38690907962337506
Energy: 0.5439376384610294
Energy: 0.728392215856445
Energy: 0.543937638461554
Energy: 0.6937181015708478
Energy: 0.5143547292624214
Energy: 0.40192718783328724
Energy: 0.5143547292629458
Energy: 0.38933547765888993
Energy: 0.5682194284804574
Energy: 0.6984745552281509
Energy: 0.5682194284809818
Energy: 0.396785168412393
Energy: 0.5620636686530786
Energy: 0.5167425064449894
Energy: 0.5620636686530786
Energy: 0.38726056386672214
Energy: 0.534231378199186
Energy: 0.6117319228056325
Energy: 0.534231378199186
Energy: 0.640120881503489
Energy: 0.5143803445566508
Energy: 0.40248428624134097
Energy: 0.5143803445566508
Energy: 0.38991242961704536
Energy: 0.5673368563453755
Energy: 0.7320694591446335
Energy: 0.5673368563453755
Energy: 0.637453733978269
Energy: 0.5689366958775617
Energy: 0.3851705077732518
Energy: 0.5689366958770372
Energy: 0.3865748645556256
Energy: 0.5324874059755776
Energy: 0.4880887067814367
Energy: 0.5324874059782002
Energy: 0.48956993090807954
Energy: 0.5390618373611599
Energy: 0.3885917836307723
Energy: 0.5390618373616844
Energy: 0.3886464142405644
Energy: 0.5502172670017424
Energy: 0.45722837015908174
Energy: 0.5502172670012179
Energy: 0.47141205952556686
Energy: 0.5690699216484861
Energy: 0.3933222845091311
Energy: 0.5690699216479616
Energy: 0.3870163032172071
Energy: 0.5345793383574987
Energy: 0.5550096784658329
Energy: 0.5345793383595967
Energy: 0.655543829510057
Energy: 0.5380377329529753
Energy: 0.38699021769386294
Energy: 0.5380377329529753
Energy: 0.4038837120708948
Energy: 0.5482445724285593
Energy: 0.5672992395556091
Energy: 0.5482445724290838
Energy: 0.6414396399589338
Energy: 0.5667872731126263
Energy: 0.39125203410025433
Energy: 0.5667872731126263
Energy: 0.517243824484649
Energy: 0.5612985678930362
Energy: 0.38174763385509486
Energy: 0.5612985678930362
Energy: 0.7252365567546171
Energy: 0.5367661739503883
Energy: 0.3872995702421299
Energy: 0.5367661739498637
Energy: 0.4038042800918491
Energy: 0.5824751095242864
Energy: 0.3898537318892633
Energy: 0.5824751095237618
Energy: 0.4930075781339442
Energy: 0.5606735409724091
Energy: 0.39108901553153014
Energy: 0.5606735409718845
Energy: 0.3865421418678534
Energy: 0.5680893411577105
Energy: 0.6399143747570285
Energy: 0.5680893411582352
Energy: 0.4923215099233352
Energy: 0.5344470507224072
Energy: 0.3873202522656251
Energy: 0.5344470507224072
Energy: 0.39005825772078606
Energy: 0.582814729691045
Energy: 0.45314048726422557
Energy: 0.5828147296915693
Energy: 0.3813845742799685
Energy: 0.5503872492578578
Energy: 0.39124550110234496
Energy: 0.5503872492578578
Energy: 0.3782828891314506
Energy: 0.5670533624484888
Energy: 0.47736129594042953
Energy: 0.5670533624490134
Energy: 0.41839325015895384
Energy: 0.5429375868191105
Energy: 0.3891617555475309
Energy: 0.5429375868201596
Energy: 0.3889477606074909
Energy: 0.582393641203547
Energy: 0.5536538058859916
Energy: 0.5823936412040716

minimum gb energy = 0.3782828891314506 eV
minimum distance =  2.47014027972686 Angstroms
sigma value = 85


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

Energy: 0.49660954206891583
Energy: 0.5368352494506778
Energy: 0.5662119357220391
Energy: 0.536835249450223
Energy: 0.7630406706156879
Energy: 0.5067648722256815
Energy: 0.35958705515060396
Energy: 0.5067648722256815
Energy: 0.4720348014631464
Energy: 0.48475250260666525
Energy: 0.6097673107196716
Energy: 0.4847525026062103
Energy: 0.725031214355847
Energy: 0.5044724268407988
Energy: 0.3599984104313263
Energy: 0.5044724268407988
Energy: 0.37959216816709807
Energy: 0.46482825819875384
Energy: 0.3452635597741715
Energy: 0.4648282581992087
Energy: 0.5279540362469528
Energy: 0.5114473150796893
Energy: 0.35991745958442617
Energy: 0.5114473150801443
Energy: 0.3572531998214717
Energy: 0.49725093348920396
Energy: 0.45104167783194316
Energy: 0.49725093348920396
Energy: 0.5068158083538435
Energy: 0.5031090238477708
Energy: 0.3600115465735017
Energy: 0.5031090238477708
Energy: 0.3592732299149246
Energy: 0.47416365609247896
Energy: 0.5069885111139106
Energy: 0.47416365609247896
Energy: 0.4524022407120171
Energy: 0.4972019408753623
Energy: 0.3578139650524007
Energy: 0.4972019408753623
Energy: 0.3610434825903344
Energy: 0.5112538123777651
Energy: 0.5626831852150884
Energy: 0.5112538123777651
Energy: 0.3388527621420184
Energy: 0.5034209718203332
Energy: 0.37982545991342725
Energy: 0.5034209718207882
Energy: 0.35924176495744664
Energy: 0.47309741027420105
Energy: 0.7178818520015481
Energy: 0.473097410274656
Energy: 0.6566428330347818
Energy: 0.48556496980853886
Energy: 0.47324328334800336
Energy: 0.4855649698089937
Energy: 0.36096633144998835
Energy: 0.5068896490427605
Energy: 0.7545943300194867
Energy: 0.5068896490423056
Energy: 0.34079312908313175
Energy: 0.5310124515061282
Energy: 0.4972184074564574
Energy: 0.5310124515056732
Energy: 0.3595865402814268
Energy: 0.4728350183972514
Energy: 0.7603933622635699
Energy: 0.4728350183967965
Energy: 0.3921467993578619
Energy: 0.48552359624061686
Energy: 0.4730349748463842
Energy: 0.48552359624061686
Energy: 0.3610747298413441
Energy: 0.5041091322377665
Energy: 0.7343043509081651
Energy: 0.5041091322377665
Energy: 0.5983862997106623
Energy: 0.5721641446924771
Energy: 0.37986754887970375
Energy: 0.5721641446920221
Energy: 0.35956127986511716
Energy: 0.47387171419664903
Energy: 0.6190122340306812
Energy: 0.47387171419664903
Energy: 0.4106558177375084
Energy: 0.5041936658986824
Energy: 0.3575923303395488
Energy: 0.5041936658982276
Energy: 0.3610633849379252
Energy: 0.5029582326060815
Energy: 0.46839335258612513
Energy: 0.5029582326060815
Energy: 0.41702726390257994
Energy: 0.5490742750340804
Energy: 0.3598105172143712
Energy: 0.5490742750340804
Energy: 0.3591016621034369
Energy: 0.432655394690503
Energy: 0.4544679966350882
Energy: 0.432655394690503
Energy: 0.6352684665892055
Energy: 0.5113155953389175
Energy: 0.35959390537275765
Energy: 0.5113155953389175
Energy: 0.3807971148946651
Energy: 0.5031814826902125
Energy: 0.34668831116851057
Energy: 0.5031814826902125
Energy: 0.5083194812185428
Energy: 0.5440206427187247
Energy: 0.3599189897116926
Energy: 0.5440206427191795
Energy: 0.4749162491995507
Energy: 0.4845468880428476
Energy: 0.6998853970564826
Energy: 0.4845468880428476
Energy: 0.6801445745504265
Energy: 0.5069071455180233
Energy: 0.3629628375726709
Energy: 0.5069071455184784
Energy: 0.49930378043367285
Energy: 0.5331263318695899
Energy: 0.33919481463210094
Energy: 0.5331263318695899
Energy: 0.7320095846475271
Energy: 0.5421804966296345
Energy: 0.35974078930585823
Energy: 0.5421804966291797
Energy: 0.4748446719922808
Energy: 0.48455169206899257
Energy: 0.3468671957150259
Energy: 0.4845516920685376
Energy: 0.7304251536753357
Energy: 0.5070575343267695
Energy: 0.3600018426284079
Energy: 0.5070575343267695
Energy: 0.38059080334621886
Energy: 0.5408729070606579
Energy: 0.6012352303922813
Energy: 0.5408729070606579
Energy: 0.49471682159576147
Energy: 0.5346611372468758
Energy: 0.3597058263754754
Energy: 0.5346611372464207
Energy: 0.3589650824351164
Energy: 0.5090254155867516
Energy: 0.4235246787521415
Energy: 0.5090254155867516
Energy: 0.4832346797352937
Energy: 0.5055278214122827
Energy: 0.3627102296795922
Energy: 0.5055278214122827
Energy: 0.3612368325726427
Energy: 0.5421546418663393
Energy: 0.4159124540483992
Energy: 0.5421546418663393
Energy: 0.5451617846402793
Energy: 0.5326530395370259
Energy: 0.3576656277581552
Energy: 0.5326530395370259
Energy: 0.3615092568626503
Energy: 0.5090554621770486
Energy: 0.49224208397128677
Energy: 0.5090554621770486
Energy: 0.3414868573030184
Energy: 0.5052918708294379
Energy: 0.3792634979329133
Energy: 0.5052918708294379
Energy: 0.36110146883749683
Energy: 0.5423709706313131
Energy: 0.5040684033084014
Energy: 0.5423709706317681

minimum gb energy = 0.3388527621420184 eV
minimum distance =  2.48884129995328 Angstroms
sigma value = 113


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

Energy: 0.011623129798239047
Energy: 0.013612020685833672
Energy: 0.8874731506668762
Energy: 0.013612020685833672
Energy: 0.4289263418899765
Energy: 0.9221441087526056
Energy: 0.21307659433952444
Energy: 0.9221441087522558
Energy: 0.011623129798569345
Energy: 0.013612020685503375
Energy: 0.4293925077153487
Energy: 0.013612020685833672
Energy: 0.4289263418899765
Energy: 0.9221441087526056
Energy: 0.21307659413339994
Energy: 0.9221441087526056
Energy: 0.011623129798239047
Energy: 0.013612020685503375
Energy: 0.4294065736109334
Energy: 0.013612020686183399
Energy: 0.42892634189030676
Energy: 0.9221441087526056
Energy: 0.21307659413545946
Energy: 0.9221441087526056

minimum gb energy = 0.011623129798239047 eV
minimum distance =  2.81684162671287 Angstroms
sigma value = 1