Model name: model_name=MEAM_LAMMPS_PascuetFernandez_2015_Al__MO_315820974149_001
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=4.049998879432679
cohesive_energy=3.36025423720221
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[3.48204252220488e-19, 3.913508689741079e-19, 4.1544760554946797e-19, 4.3201411194502795e-19, 4.44839535900198e-19, 4.555420758153179e-19, 4.64905196064414e-19, 4.733390538657899e-19, 4.81072760478108e-19, 4.8823128567882e-19, 4.94885125239822e-19, 5.010679248704279e-19, 5.06798910690246e-19, 5.120796848759099e-19, 5.1691024742742e-19, 5.212809852849719e-19, 5.25180683212128e-19, 5.28599728149084e-19, 5.31525302682768e-19, 5.33946191576742e-19, 5.358479752413e-19, 5.37219438440004e-19, 5.3805096811305e-19, 5.383297468473659e-19, 5.38022128933638e-19, 5.37020768537388e-19, 5.351942871746279e-19, 5.32384069358592e-19, 5.28396251716566e-19, 5.2299851863662e-19, 5.15905682677902e-19, 5.06762060627664e-19, 4.9513666697136e-19, 4.80483159476796e-19, 4.62119010897888e-19, 4.3918225020554395e-19, 4.1056417116903593e-19, 3.74838836584104e-19, 3.3013971067213794e-19, 2.74001043593412e-19, 2.0311594277534998e-19, 1.1298084991744139e-19, -2.6342667780901197e-21, -1.525244918565222e-19, -3.49389862929648e-19, -6.12090754723458e-19, -9.6954917918193e-19, -1.4673871159582137e-18, -2.17974528879066e-18, -3.23069305186296e-18, -4.83330227355414e-18, -7.35812436577572e-18, -1.1429431432199458e-17, -1.7908329326535e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.010325842352997076
Energy: 0.011212372775810789
Energy: 0.5097509472902165
Energy: 0.06594742830525514
Energy: 0.011212372775810789
Energy: 0.5285127078512951
Energy: 0.06594742830525514
Energy: 0.5285127078508232
Energy: 0.5097509472911883
Energy: 0.06594742830575485
Energy: 0.010325842352997076
Energy: 0.011212372775810789
Energy: 0.06594742830525514
Energy: 0.5285127078508232
Energy: 0.011212372775810789
Energy: 0.5285127078512951

minimum gb energy = 0.010325842352997076 eV
minimum distance =  2.70085309376682 Angstroms
sigma value = 1


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

Energy: 0.9313468429375957
Energy: 0.6200709171904472
Energy: 0.6370529977637573
Energy: 0.6683735723575618
Energy: 0.5819190251526257
Energy: 0.6096391204157501
Energy: 0.572531068828681
Energy: 0.6096391204157501
Energy: 0.6202777334405011
Energy: 0.6496611752251897
Energy: 1.0113076990102323
Energy: 0.6496611752251897
Energy: 0.6184601444038754
Energy: 0.5861829213054596
Energy: 0.5726936781252239
Energy: 0.5861829213054596
Energy: 0.6022141067208635
Energy: 0.618135395181164
Energy: 0.5730397738390341
Energy: 0.6181353951805579
Energy: 0.6184735842436044
Energy: 0.6110517668333064
Energy: 0.5731097602434313
Energy: 0.6110517668327003
Energy: 0.6087385781271322
Energy: 0.613801737480012
Energy: 0.6033021336282495
Energy: 0.613801737480012
Energy: 0.6085789456982228
Energy: 0.6037833668698961
Energy: 0.6554136773447318
Energy: 0.6037833668698961
Energy: 0.6200889991917983
Energy: 0.6139485356037189
Energy: 0.6213057913797383
Energy: 0.613948535604325
Energy: 0.6506235229448772
Energy: 0.6257004219874561
Energy: 0.621144693499076
Energy: 0.6257004219868502
Energy: 0.6202141077739939
Energy: 0.6123869213976929
Energy: 0.6392408999056568
Energy: 0.6123869213976929
Energy: 0.6055322316208548
Energy: 0.6123615198713682
Energy: 0.6530090524739779
Energy: 0.6123615198707623
Energy: 0.6087971093259422
Energy: 0.6136214214697603
Energy: 0.581927242383684
Energy: 0.6136214214703661
Energy: 0.6053024638808042
Energy: 0.613080647701238
Energy: 0.6164293540988097
Energy: 0.613080647700632
Energy: 0.5819795362079012
Energy: 0.5888022081940728
Energy: 0.5776175442998183
Energy: 0.5888022081940728
Energy: 0.6055656541876394
Energy: 0.5864945843875748
Energy: 0.5724560256018667
Energy: 0.5864945843875748
Energy: 0.6211579747116974
Energy: 0.6027092238460493
Energy: 0.5603913146722589
Energy: 0.6027092238460493
Energy: 0.5731242490454754
Energy: 0.572506127534532
Energy: 0.5823531273011474
Energy: 0.572506127535138
Energy: 0.5719386931603454
Energy: 0.6014250796963759
Energy: 0.6220613549086987
Energy: 0.6014250796963759
Energy: 0.6175046550669206
Energy: 0.5725879923047341
Energy: 0.5724937959357551
Energy: 0.572587992304128
Energy: 0.5745491415808391
Energy: 0.6176267170528822
Energy: 0.6064036800012074
Energy: 0.6176267170528822
Energy: 0.5738652509043748
Energy: 0.5885227750081226
Energy: 0.6185320975767533
Energy: 0.5885227750087286
Energy: 0.6032484393683264
Energy: 0.615525374255736
Energy: 0.6071205394598147
Energy: 0.615525374255736
Energy: 0.6514804502834489
Energy: 0.6121953418881589
Energy: 0.605274673643388
Energy: 0.6121953418875529
Energy: 0.6428453710926428
Energy: 0.6160843328188346
Energy: 0.6255650012321039
Energy: 0.6160843328182285
Energy: 0.6341751026213929
Energy: 0.6137765851382231
Energy: 0.651905593256288
Energy: 0.6137765851376169
Energy: 0.626439016993933
Energy: 0.6139980585399137
Energy: 0.6228236271760863
Energy: 0.6139980585393077
Energy: 0.6514035814106126
Energy: 0.6127258978497495
Energy: 0.6045781391812718
Energy: 0.6127258978497495
Energy: 0.5817184812728535
Energy: 0.6128796874556622
Energy: 0.6147998762121261
Energy: 0.6128796874562683
Energy: 0.581479274789064
Energy: 0.6133119304621685
Energy: 0.6085191678365556
Energy: 0.6133119304621685
Energy: 0.5772368440945674
Energy: 0.5889307018035549
Energy: 0.5826343681869642
Energy: 0.5889307018035549
Energy: 0.572512193046487
Energy: 0.5900927296227223
Energy: 0.6053934640138439
Energy: 0.5900927296233283
Energy: 0.5601406367649854
Energy: 0.6023167196168938
Energy: 0.6216120001351423
Energy: 0.6023167196168938

minimum gb energy = 0.5601406367649854 eV
minimum distance =  2.50103797501509 Angstroms
sigma value = 1


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

Energy: 1.051971832827034
Energy: 0.6513995144336092
Energy: 0.6692905881821206
Energy: 0.7068987446891826
Energy: 0.6072196658857356
Energy: 0.6346710798577908
Energy: 0.5973093495294975
Energy: 0.6346710798591729
Energy: 0.6510000227512001
Energy: 0.651860486382246
Energy: 0.5968594525475974
Energy: 0.6518604863836281
Energy: 0.6492700183624381
Energy: 0.6151030439000331
Energy: 0.5971053319600952
Energy: 0.6151030439007242
Energy: 0.5953672301442543
Energy: 0.6488064939786292
Energy: 0.5974888278883489
Energy: 0.6488064939786292
Energy: 0.6496738497521505
Energy: 0.6442636916306491
Energy: 0.5971728007880813
Energy: 0.6442636916313402
Energy: 0.6378724320903106
Energy: 0.6466541124062178
Energy: 0.630299972668533
Energy: 0.6466541124062178
Energy: 0.6315766382444601
Energy: 0.6353318843152345
Energy: 0.6881201980686652
Energy: 0.6353318843145436
Energy: 0.6396477100082932
Energy: 0.6483848176262285
Energy: 0.6496707485955483
Energy: 0.6483848176255376
Energy: 0.6866685857691247
Energy: 0.6629768162379264
Energy: 0.6329215470912584
Energy: 0.6629768162386174
Energy: 0.6068005970407138
Energy: 0.644383998475176
Energy: 0.6404166382146022
Energy: 0.6443839984765581
Energy: 0.6093795391793664
Energy: 0.6447178823082848
Energy: 0.6506498154342084
Energy: 0.6447178823096666
Energy: 0.6033749961589466
Energy: 0.6150527435898608
Energy: 0.6064066570998886
Energy: 0.6150527435919337
Energy: 0.5964495607671502
Energy: 0.6158464498008047
Energy: 0.6336270609038642
Energy: 0.6158464498008047
Energy: 0.5816347001559601
Energy: 0.5967453665523745
Energy: 0.6511857468148575
Energy: 0.5967453665537565
Energy: 0.6076509693730389
Energy: 0.6167711217525622
Energy: 0.5972685209346974
Energy: 0.6167711217552948
Energy: 0.6532212641849761
Energy: 0.6299983926359737
Energy: 0.594997365466351
Energy: 0.6299983926366646
Energy: 0.5962141796516884
Energy: 0.5963851040455099
Energy: 0.7111534345761895
Energy: 0.596385104044819
Energy: 0.5955337709402044
Energy: 0.6483013131195251
Energy: 0.5990896730457379
Energy: 0.6483013131209071
Energy: 0.6494268954566916
Energy: 0.6152242540200105
Energy: 0.5972490755377345
Energy: 0.6152242540179375
Energy: 0.6386038108474938
Energy: 0.6475137208667092
Energy: 0.6387568087027836
Energy: 0.6475137208680912
Energy: 0.6388838061192307
Energy: 0.644444406315426
Energy: 0.6861127457746183
Energy: 0.644444406315426
Energy: 0.6397596323803321
Energy: 0.6491266999395076
Energy: 0.6656649132233721
Energy: 0.6491266999395076
Energy: 0.686181911361911
Energy: 0.6468792751032928
Energy: 0.6321931180512562
Energy: 0.6468792751026017
Energy: 0.6076669523945386
Energy: 0.6446287870153954
Energy: 0.6794586829805841
Energy: 0.6446287870147043
Energy: 0.6079214104673185
Energy: 0.6452126173548197
Energy: 0.6386204890386425
Energy: 0.6452126173555107
Energy: 0.6033688115537073
Energy: 0.6154848034147579
Energy: 0.6067922206818468
Energy: 0.6154848034147579
Energy: 0.5966571341796597
Energy: 0.6154860728125773
Energy: 0.58147301611795
Energy: 0.6154860728132683
Energy: 0.5816536538704175
Energy: 0.5962182081154432
Energy: 0.6525116363594474
Energy: 0.5962182081161341

minimum gb energy = 0.58147301611795 eV
minimum distance =  2.49999504489833 Angstroms
sigma value = 25


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

Energy: 0.9943255243664033
Energy: 0.68490020988678
Energy: 0.7121939454085174
Energy: 0.7436619896076807
Energy: 0.634799496603284
Energy: 0.6595923383477768
Energy: 0.621011614699638
Energy: 0.6595923383477768
Energy: 0.6832388879255451
Energy: 0.6830626562653851
Energy: 0.6218811146332828
Energy: 0.6830626562653851
Energy: 0.6205453486067152
Energy: 0.6435590955142139
Energy: 0.6205472674819477
Energy: 0.6435590955142139
Energy: 0.6216967706611667
Energy: 0.6825466780036389
Energy: 0.6200772601379368
Energy: 0.6825466780036389
Energy: 0.6840194862020248
Energy: 0.6435651744091042
Energy: 0.622400046143119
Energy: 0.6435651744091042
Energy: 0.64469230708227
Energy: 0.6812601937954159
Energy: 0.643753763926004
Energy: 0.6812601937954159
Energy: 0.6454742701658572
Energy: 0.6726515186122547
Energy: 0.724309191676587
Energy: 0.6726515186114514
Energy: 0.6689471085643183
Energy: 0.6807130682273902
Energy: 0.6348089995962473
Energy: 0.6807130682273902
Energy: 0.68537242956851
Energy: 0.6814124896975158
Energy: 0.6209409766210366
Energy: 0.6814124896967126
Energy: 0.6030829873512029
Energy: 0.642816788536393
Energy: 0.6207614959966613
Energy: 0.642816788536393
Energy: 0.6027755490264823
Energy: 0.6429035485817255
Energy: 0.6209263818312888
Energy: 0.6429035485817255
Energy: 0.7115584208039125
Energy: 0.7205827183918058
Energy: 0.6025769844112842
Energy: 0.7205827183918058
Energy: 0.6209622043216053
Energy: 0.6205024956460421
Energy: 0.6348272402722207
Energy: 0.6205024956468453
Energy: 0.6195593951483332
Energy: 0.6617285322358877
Energy: 0.6840628043471007
Energy: 0.6617285322358877
Energy: 0.75356971286823
Energy: 0.6229521279490626
Energy: 0.6767796206519242
Energy: 0.6229521279490626
Energy: 0.6214691609294816
Energy: 0.6826840701743855
Energy: 0.6203701886978882
Energy: 0.6826840701751888
Energy: 0.6222051870057298
Energy: 0.6439470625387248
Energy: 0.6840210127455175
Energy: 0.6439470625387248
Energy: 0.6502156458128445
Energy: 0.6831585858169363
Energy: 0.6535190804072268
Energy: 0.6831585858169363
Energy: 0.7243472169070183
Energy: 0.6819505775990875
Energy: 0.6518759406732945
Energy: 0.6819505775998909
Energy: 0.6347688172683286
Energy: 0.6811497888438525
Energy: 0.7308208484216223
Energy: 0.6811497888438525
Energy: 0.6378275320924203
Energy: 0.682433654837744
Energy: 0.6839249276737688
Energy: 0.682433654837744
Energy: 0.6320232802029202
Energy: 0.6428821096023967
Energy: 0.6030718514908592
Energy: 0.6428821096023967
Energy: 0.6210213872944658
Energy: 0.6429452515139691
Energy: 0.6028668528954408
Energy: 0.6429452515139691
Energy: 0.6023246233089132
Energy: 0.6637683192647837
Energy: 0.6759783863275343
Energy: 0.6637683192647837

minimum gb energy = 0.6023246233089132 eV
minimum distance =  2.50598932945114 Angstroms
sigma value = 9


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

Energy: 0.9993462746068249
Energy: 0.6733853968918557
Energy: 0.7431698042938889
Energy: 0.7382397524053955
Energy: 0.723284582031656
Energy: 0.6932694456601947
Energy: 0.7351882693995779
Energy: 0.6932694456601947
Energy: 0.7527741078961109
Energy: 0.7297061775411561
Energy: 1.1666168878553045
Energy: 0.7297061775411561
Energy: 0.7370247787126603
Energy: 0.7202617948516736
Energy: 0.6638678182681548
Energy: 0.7202617948516736
Energy: 0.6365354138012569
Energy: 0.6858360270312313
Energy: 0.66030244832632
Energy: 0.6858360270312313
Energy: 0.6864927750492055
Energy: 0.679617701881166
Energy: 0.6625140545934937
Energy: 0.6796177018821242
Energy: 0.664784873574704
Energy: 0.7314157386504254
Energy: 0.6631964903892665
Energy: 0.7314157386504254
Energy: 0.7101245928541222
Energy: 0.7057580077497573
Energy: 0.7483486543043586
Energy: 0.7057580077507155
Energy: 0.6964089625876896
Energy: 0.7406415129720056
Energy: 0.6721365684768918
Energy: 0.7406415129720056
Energy: 0.6607782667475964
Energy: 0.7100699931190961
Energy: 0.6424990241292359
Energy: 0.7100699931190961
Energy: 0.6202554338867804
Energy: 0.7228303020199732
Energy: 0.6321109259102841
Energy: 0.7228303020209315
Energy: 0.660019451407522
Energy: 0.621091499001216
Energy: 0.6327548911378502
Energy: 0.621091499001216
Energy: 0.7744903129500487
Energy: 0.7955111669079239
Energy: 0.7734374947299516
Energy: 0.7955111669088821
Energy: 0.7844479299041252
Energy: 0.6840699416810564
Energy: 0.7721555590828146
Energy: 0.6840699416810564
Energy: 0.637262732079873
Energy: 0.7411601153138676
Energy: 0.6593723140141138
Energy: 0.7411601153138676
Energy: 0.7009261851195611
Energy: 0.6730317952980462
Energy: 0.6602442142437632
Energy: 0.6730317952990046
Energy: 0.6647457682855759
Energy: 0.725507609449591
Energy: 0.6682169477294462
Energy: 0.725507609449591
Energy: 0.664286766804846
Energy: 0.7286214730904256
Energy: 0.7352362077264921
Energy: 0.7286214730904256
Energy: 0.6727725240892383
Energy: 0.6868740842838387
Energy: 0.6727041931780123
Energy: 0.6868740842838387
Energy: 0.6543475045039079
Energy: 0.6899226662545178
Energy: 0.6752208856848234
Energy: 0.6899226662545178
Energy: 0.6743285776829879
Energy: 0.6596017590101951
Energy: 0.726266668616675
Energy: 0.6596017590101951

minimum gb energy = 0.6202554338867804 eV
minimum distance =  2.55653213447164 Angstroms
sigma value = 25


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

Energy: 0.7598195734547771
Energy: 0.6257255003520413
Energy: 0.7732177479480963
Energy: 0.7729251561397344
Energy: 0.7511569856737704
Energy: 0.6667980627877422
Energy: 0.6662906401233344
Energy: 0.6667980627877422
Energy: 0.7702947970016573
Energy: 0.7408119925837283
Energy: 0.9696647066595618
Energy: 0.7408119925837283
Energy: 0.713414467913494
Energy: 0.6906944192037323
Energy: 0.6420540780139097
Energy: 0.6906944192037323
Energy: 0.6591843956569251
Energy: 0.6897699964070951
Energy: 0.6601789865927278
Energy: 0.6897699964070951
Energy: 0.6235769218914757
Energy: 0.6896440193817235
Energy: 0.6336507647738917
Energy: 0.6896440193817235
Energy: 0.6861486473082814
Energy: 0.6925674158320873
Energy: 0.6641135859469851
Energy: 0.6925674158332724
Energy: 0.6867906853802476
Energy: 0.6920958042093251
Energy: 0.6615759516366808
Energy: 0.6920958042093251
Energy: 0.7165229378568523
Energy: 0.7140226867189079
Energy: 0.6224164029960306
Energy: 0.7140226867189079
Energy: 0.6603411825417423
Energy: 0.6270536908491955
Energy: 0.7166160241276693
Energy: 0.6270536908491955
Energy: 0.6222856719513377
Energy: 0.6914214471963298
Energy: 0.7426106826365954
Energy: 0.6914214471975149
Energy: 0.7525467662600284
Energy: 0.6256622593235776
Energy: 0.7508111905833809
Energy: 0.6256622593212074
Energy: 0.659881636147059
Energy: 0.6897014174095434
Energy: 0.6598300192002912
Energy: 0.6897014174095434
Energy: 0.6594282398614403
Energy: 0.6911489919162708
Energy: 0.6265523314675565
Energy: 0.6911489919162708
Energy: 0.6943616190185302
Energy: 0.6916679292794536
Energy: 0.6234105317131391
Energy: 0.6916679292806386
Energy: 0.6610250857200891
Energy: 0.6933703107862267
Energy: 0.6233802009687566
Energy: 0.6933703107874118
Energy: 0.6259978975212874
Energy: 0.6274250191589559
Energy: 0.6283533710753285
Energy: 0.6274250191589559

minimum gb energy = 0.6222856719513377 eV
minimum distance =  2.61355401419483 Angstroms
sigma value = 17


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

Energy: 1.1314524499539562
Energy: 0.7400862835547612
Energy: 0.848523871624804
Energy: 0.8193333184770243
Energy: 0.6428280236079659
Energy: 0.7474665444903851
Energy: 0.6850662116279013
Energy: 0.7474665444903851
Energy: 0.6917324575838656
Energy: 0.7247825273976769
Energy: 0.8151340102773463
Energy: 0.7247825273976769
Energy: 0.7060034043274213
Energy: 0.7752062966679664
Energy: 0.7007781412174398
Energy: 0.7752062966679664
Energy: 0.7161601483777139
Energy: 0.7614283406503697
Energy: 0.6898449673191941
Energy: 0.7614283406503697
Energy: 0.6995601814686444
Energy: 0.7490118593035173
Energy: 0.7176001165104752
Energy: 0.7490118593035173
Energy: 0.7341445887360489
Energy: 0.7263557098780394
Energy: 0.6911916979213493
Energy: 0.7263557098780394
Energy: 0.8137944935892898
Energy: 0.6904995997562432
Energy: 0.6683345200524559
Energy: 0.6904995997555721
Energy: 0.8220800337836479
Energy: 0.8207376952258774
Energy: 0.7534400228960245
Energy: 0.8207376952252063
Energy: 0.8160386789122197
Energy: 0.7955511895754608
Energy: 0.6845788593443268
Energy: 0.7955511895754608
Energy: 0.7183797680838524
Energy: 0.7381313643659082
Energy: 0.6718509062823182
Energy: 0.7381313643659082
Energy: 0.7318617972396717
Energy: 0.6899596204437518
Energy: 0.6692449945099274
Energy: 0.6899596204437518
Energy: 0.7346953136260745
Energy: 0.7187738378115569
Energy: 0.6827473196418234
Energy: 0.7187738378115569
Energy: 0.735687691430057
Energy: 0.7438914333074846
Energy: 0.6606561422889272
Energy: 0.7438914333074846
Energy: 0.7961895494915798
Energy: 0.746603878074031
Energy: 0.723293004504674
Energy: 0.746603878074031
Energy: 0.8029065811377618
Energy: 0.8143858182848712
Energy: 0.7399215329957689
Energy: 0.8143858182855424
Energy: 0.746024118150799
Energy: 0.7260939635675582
Energy: 0.6730971929359917
Energy: 0.7260939635675582
Energy: 0.7459700947395708
Energy: 0.7266176938738095
Energy: 0.6938552442482141
Energy: 0.7266176938738095
Energy: 0.7031076561474485
Energy: 0.7545534980911782
Energy: 0.7178689027402183
Energy: 0.7545534980911782
Energy: 0.7159152068270905
Energy: 0.7609736013516115
Energy: 0.7181415505649767
Energy: 0.7609736013516115
Energy: 0.6910787415581712
Energy: 0.7213391363212872
Energy: 0.7249678879900969
Energy: 0.7213391363212872
Energy: 0.6903519278470253
Energy: 0.7757232811256025
Energy: 0.7756387260388786
Energy: 0.7757232811256025
Energy: 0.7726781718742782
Energy: 0.7983520813271032
Energy: 0.7704675229271317
Energy: 0.7983520813271032
Energy: 0.7490174279434341
Energy: 0.8207953823062005
Energy: 0.8067504112682371
Energy: 0.8207953823062005
Energy: 0.6691338589496438
Energy: 0.7109026943915955
Energy: 0.7876735104841087
Energy: 0.7109026943915955
Energy: 0.6691337138749329
Energy: 0.7392433817191136
Energy: 0.7203984876080737
Energy: 0.7392433817197848
Energy: 0.6822211325354998
Energy: 0.7368978034098901
Energy: 0.7550062408841317
Energy: 0.7368978034098901
Energy: 0.6683644561896138
Energy: 0.739941610681358
Energy: 0.7354504861214622
Energy: 0.739941610682029
Energy: 0.6694239279197903
Energy: 0.7326602085700538
Energy: 0.7400984582333792
Energy: 0.7326602085700538
Energy: 0.7299375416943272
Energy: 0.7344525746131786
Energy: 0.8190124532353613
Energy: 0.7344525746138498

minimum gb energy = 0.6428280236079659 eV
minimum distance =  2.5285907022025 Angstroms
sigma value = 53


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

Energy: 1.0142728190700878
Energy: 0.7429428913894967
Energy: 0.7765652322631813
Energy: 0.8448958242710145
Energy: 0.8536881795890829
Energy: 0.6458590495604238
Energy: 0.7341501341274359
Energy: 0.6458590495588787
Energy: 0.7914627009857381
Energy: 0.8037507686300469
Energy: 0.8067722160587231
Energy: 0.8037507686300469
Energy: 0.7510618720949622
Energy: 0.6469357685519382
Energy: 0.7335255211132318
Energy: 0.6469357685519382
Energy: 0.744311624510903
Energy: 0.7443228089094275
Energy: 0.6079770709480959
Energy: 0.7443228089094275
Energy: 0.7528518685898286
Energy: 0.6946615574726642
Energy: 0.6263124288299124
Energy: 0.6946615574726642
Energy: 0.8531103759926754
Energy: 0.8029909726338541
Energy: 0.7489042746278904
Energy: 0.8029909726338541
Energy: 0.8527903222735898
Energy: 0.64736623034871
Energy: 0.7466907215580533
Energy: 0.64736623034871
Energy: 0.7931606590690611
Energy: 0.8078819780871885
Energy: 0.7415052963070565
Energy: 0.8078819780871885
Energy: 0.730749110072131
Energy: 0.647518093031775
Energy: 0.7352548655868346
Energy: 0.647518093031775
Energy: 0.744994835079091
Energy: 0.6957707640521472
Energy: 0.6263555251767484
Energy: 0.6957707640521472
Energy: 0.7514335536581161
Energy: 0.6940176782609022
Energy: 0.6051887317640529
Energy: 0.6940176782609022
Energy: 0.8527995149601586
Energy: 0.6475494094819922
Energy: 0.7456354209373826
Energy: 0.6475494094819922

minimum gb energy = 0.6051887317640529 eV
minimum distance =  2.58763160344629 Angstroms
sigma value = 9


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

Energy: 0.9884093373267014
Energy: 0.7461253579515565
Energy: 0.8573425138016498
Energy: 0.8442371037737485
Energy: 0.7427717098701964
Energy: 0.7517442371954598
Energy: 0.8647059359614823
Energy: 0.7517442371948878
Energy: 0.6804154684243949
Energy: 0.7917538023957431
Energy: 0.8454008467453583
Energy: 0.7917538023957431
Energy: 0.6782868661467216
Energy: 0.7193303055797589
Energy: 0.8626685874266269
Energy: 0.7193303055797589
Energy: 0.6743857647378774
Energy: 0.7918560794804371
Energy: 0.8779536435999981
Energy: 0.791856079481009
Energy: 0.698192160386587
Energy: 0.7913586148829305
Energy: 0.8784758869352495
Energy: 0.7913586148835025
Energy: 0.8870936886610745
Energy: 0.8042845556687164
Energy: 0.8707328619647671
Energy: 0.8042845556687164
Energy: 0.8751807405049155
Energy: 0.8205634308639584
Energy: 0.8053818950732938
Energy: 0.8205634308639584
Energy: 0.707306683673306
Energy: 0.772894664599234
Energy: 0.743082877462194
Energy: 0.7728946645998058
Energy: 0.6859422014274876
Energy: 0.7421755536697852
Energy: 0.8028609595155476
Energy: 0.7421755536697852
Energy: 0.6980189679272049
Energy: 0.7495319758196889
Energy: 0.8645555096424259
Energy: 0.7495319758196889
Energy: 0.7122438175634137
Energy: 0.7480943045044939
Energy: 0.872815082359384
Energy: 0.7480943045044939
Energy: 0.8748765385445405
Energy: 0.7848592519733221
Energy: 0.8113957878006989
Energy: 0.7848592519727502
Energy: 0.8666842357152054
Energy: 0.7723289987817372
Energy: 0.7030352803223825
Energy: 0.7723289987817372
Energy: 0.7999739222400587
Energy: 0.7469552803874231
Energy: 0.7139143412259072
Energy: 0.7469552803868512
Energy: 0.7995992933010311
Energy: 0.7803211974763136
Energy: 0.7285596109308701
Energy: 0.7803211974757416
Energy: 0.8079422062944112
Energy: 0.7512094171554646
Energy: 0.702681091073135
Energy: 0.7512094171554646
Energy: 0.8543287858133622
Energy: 0.8036935471983254
Energy: 0.9887653489642676
Energy: 0.8036935471983254
Energy: 0.853807459298179
Energy: 0.7368371244388624
Energy: 0.745476240304893
Energy: 0.7368371244388624
Energy: 0.9069824317493689
Energy: 0.7889901207317437
Energy: 0.6877333052541225
Energy: 0.7889901207311718
Energy: 0.8636387701897954
Energy: 0.7265038658386573
Energy: 0.671842403327055
Energy: 0.7265038658386573
Energy: 0.8774282874363777
Energy: 0.7235225579904411
Energy: 0.6730828720020764
Energy: 0.7235225579904411
Energy: 0.8803712269281003
Energy: 0.7915695524628142
Energy: 0.6966375069115697
Energy: 0.7915695524628142
Energy: 0.8716314722188847
Energy: 0.8083289470325306
Energy: 0.8691920765675872
Energy: 0.8083289470325306
Energy: 0.8064170196369563
Energy: 0.8439754600924043
Energy: 0.8682922292390428
Energy: 0.8439754600924043
Energy: 0.7425837728819937
Energy: 0.7761250196361572
Energy: 0.6970810908513723
Energy: 0.7761250196367292
Energy: 0.8036291535167135
Energy: 0.7455792430521745
Energy: 0.6860145763084469
Energy: 0.7455792430521745
Energy: 0.8739746118728943
Energy: 0.7487844102432593
Energy: 0.6974703498550995
Energy: 0.7487844102438311
Energy: 0.8656710681656207
Energy: 0.7483890501755915
Energy: 0.7311679057639484
Energy: 0.7483890501761634
Energy: 0.8092553261680595
Energy: 0.7834180951569615
Energy: 0.8745926272983496
Energy: 0.7834180951575334
Energy: 0.7243578548221962
Energy: 0.7686467884701385
Energy: 0.8256738283218279
Energy: 0.7686467884695666
Energy: 0.7110321630559688
Energy: 0.7529812743443001
Energy: 0.8011386522784789
Energy: 0.7529812743448719
Energy: 0.730141232677137
Energy: 0.7798019254320102
Energy: 0.7732182432543383
Energy: 0.7798019254320102
Energy: 0.6981418018310603
Energy: 0.7666261762139139
Energy: 0.7416276377265504
Energy: 0.7666261762139139
Energy: 0.8623889757019246
Energy: 0.8534646556852254
Energy: 0.807435861883674
Energy: 0.8534646556846536

minimum gb energy = 0.671842403327055 eV
minimum distance =  2.53531707684918 Angstroms
sigma value = 73


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

Energy: 1.0495135352436846
Energy: 0.8003211901117776
Energy: 0.764102555915117
Energy: 0.8250450835082263
Energy: 0.7869347785505841
Energy: 0.7986256088156771
Energy: 0.8256993622109802
Energy: 0.7986256088165844
Energy: 0.6867233592798219
Energy: 0.7920918077078399
Energy: 0.847653736479724
Energy: 0.7920918077078399
Energy: 0.6818801389746341
Energy: 0.7373725280667076
Energy: 0.8498773376414936
Energy: 0.7373725280667076
Energy: 0.6933256230709616
Energy: 0.7859656785287428
Energy: 0.8449187602702615
Energy: 0.7859656785287428
Energy: 0.701275947069719
Energy: 0.7694344400284386
Energy: 0.844941252459752
Energy: 0.7694344400284386
Energy: 0.8389304548324298
Energy: 0.8421546779654486
Energy: 0.8639584551667172
Energy: 0.8421546779654486
Energy: 0.8388384690126724
Energy: 0.8151037266639763
Energy: 0.7949610544403964
Energy: 0.8151037266639763
Energy: 0.6987238482498022
Energy: 0.7674677454611775
Energy: 0.8146456928936677
Energy: 0.7674677454620847
Energy: 0.7602669301618813
Energy: 0.7568140341166887
Energy: 0.8131686296582786
Energy: 0.7568140341157813
Energy: 0.7016913415647739
Energy: 0.7495149284178781
Energy: 0.8345270326307564
Energy: 0.7495149284178781
Energy: 0.6907917509806778
Energy: 0.7898784120035028
Energy: 0.8492355045071348
Energy: 0.7898784120035028
Energy: 0.7960260668018535
Energy: 0.7474124018692748
Energy: 0.6494940658536394
Energy: 0.7474124018701821
Energy: 0.7978348745394985
Energy: 0.7910408055941517
Energy: 0.7195388553317751
Energy: 0.7910408055941517
Energy: 0.7855395108512355
Energy: 0.7361587862603074
Energy: 0.704287605941599
Energy: 0.7361587862612147
Energy: 0.8437251150863316
Energy: 0.7944860377605072
Energy: 0.7126341028073726
Energy: 0.7944860377605072
Energy: 0.8455348007051823
Energy: 0.788845155368419
Energy: 0.7580977917693938
Energy: 0.788845155368419
Energy: 0.8191674409586102
Energy: 0.8064186496737672
Energy: 0.8461885741501673
Energy: 0.8064186496737672
Energy: 0.7614884013884449
Energy: 0.786649463670706
Energy: 0.8363724165343226
Energy: 0.786649463670706
Energy: 0.8328739809657986
Energy: 0.7626395604953083
Energy: 0.7522408715722685
Energy: 0.7626395604962156
Energy: 0.7552952198697486
Energy: 0.7714666887357612
Energy: 0.7509624788626849
Energy: 0.7714666887366685
Energy: 0.849520747732508
Energy: 0.8194340512544792
Energy: 0.7607922341068805
Energy: 0.8194340512544792

minimum gb energy = 0.6494940658536394 eV
minimum distance =  2.50386990980406 Angstroms
sigma value = 7


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

Energy: 1.2139053162584235
Energy: 0.7879290244350015
Energy: 0.8102415209655293
Energy: 0.8116675751398993
Energy: 0.7501725324362024
Energy: 0.7363837593175889
Energy: 0.7562087326364846
Energy: 0.7363837593169474
Energy: 0.6969769074223214
Energy: 0.77645168724641
Energy: 0.8088379526121189
Energy: 0.77645168724641
Energy: 0.697065553710843
Energy: 0.724711402186565
Energy: 0.7594456189565136
Energy: 0.7247114021859234
Energy: 0.6776226664366538
Energy: 0.7323146398661533
Energy: 0.8189890137662531
Energy: 0.7323146398667948
Energy: 0.6852953581922344
Energy: 0.7323386691744983
Energy: 0.8186349897153467
Energy: 0.7323386691725734
Energy: 0.8222209683664969
Energy: 0.7840028891875108
Energy: 0.7128910079932045
Energy: 0.7840028891894355
Energy: 0.8228325697820759
Energy: 0.7833016676033682
Energy: 0.6764917144141261
Energy: 0.7833016676033682
Energy: 0.8137293196034976
Energy: 0.7491953114210328
Energy: 0.7052174526897174
Energy: 0.7491953114203912
Energy: 0.9016783572103733
Energy: 0.778874410438023
Energy: 0.6979504750940118
Energy: 0.7788744104367398
Energy: 0.7873429878313684
Energy: 0.8138609125771918
Energy: 0.8044585485773261
Energy: 0.8138609125759088
Energy: 0.8083779707177547
Energy: 0.8090164715577057
Energy: 0.81652520683428
Energy: 0.809016471558989
Energy: 0.7497818823662302
Energy: 0.7707262818853445
Energy: 0.7028500744103788
Energy: 0.7707262818853445
Energy: 0.7791976451812179
Energy: 0.7718055035589604
Energy: 0.7055599698669813
Energy: 0.7718055035583189
Energy: 0.7484781317224589
Energy: 0.7684334734676864
Energy: 0.676477717767267
Energy: 0.7684334734664032
Energy: 0.8062563232666442
Energy: 0.8088660295005623
Energy: 0.8086939154188628
Energy: 0.8088660294999207
Energy: 0.820040408334912
Energy: 0.8260665576240718
Energy: 0.8227834102095335
Energy: 0.826066557625355
Energy: 0.698210885851002
Energy: 0.7769956469335881
Energy: 0.8164878177994647
Energy: 0.7769956469335881
Energy: 0.7056311551394991
Energy: 0.7379272295241821
Energy: 0.7656418616999743
Energy: 0.7379272295216158
Energy: 0.6759852476584206
Energy: 0.7839094417355822
Energy: 0.8066156808835817
Energy: 0.7839094417349407
Energy: 0.7142763355894134
Energy: 0.783997037391343
Energy: 0.8191442248367672
Energy: 0.783997037391343
Energy: 0.8221271722369935
Energy: 0.7463878364780493
Energy: 0.6853824833013468
Energy: 0.7463878364786909
Energy: 0.822255279632097
Energy: 0.7321983889608101
Energy: 0.6774360193379736
Energy: 0.7321983889601685
Energy: 0.8124024050757324
Energy: 0.725032952356863
Energy: 0.698821176741522
Energy: 0.7250329523555797
Energy: 0.8903266252323748
Energy: 0.77787626336393
Energy: 0.6968321002864755
Energy: 0.77787626336393
Energy: 0.8146886522476025
Energy: 0.7498005877554477
Energy: 0.7093968555844814
Energy: 0.7498005877541644
Energy: 0.8093343618757602
Energy: 0.8081470555203084
Energy: 1.0554406211120397
Energy: 0.8081470555196668
Energy: 0.7473297672033353
Energy: 0.7502029863836889
Energy: 0.7385861459119938
Energy: 0.7502029863830472
Energy: 0.8125604601411
Energy: 0.7594824145578289
Energy: 0.6851441980449429
Energy: 0.7594824145578289
Energy: 0.7453935610000976
Energy: 0.7585543951709603
Energy: 0.6816973060988225
Energy: 0.7585543951709603
Energy: 0.8195092550408417
Energy: 0.7469047898229719
Energy: 0.7486174997011177
Energy: 0.7469047898223303

minimum gb energy = 0.6759852476584206 eV
minimum distance =  2.50818388108001 Angstroms
sigma value = 29


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

Energy: 0.7044281295307406
Energy: 0.6977474537610395
Energy: 0.6760034653288908
Energy: 0.715063781168837
Energy: 0.6416959791554885
Energy: 0.698949089990023
Energy: 0.6518731323471081
Energy: 0.698949089990023
Energy: 0.6774371007382451
Energy: 0.6890928647138251
Energy: 0.6736708932222404
Energy: 0.6890928647138251
Energy: 0.6439479312539159
Energy: 0.7094051697065867
Energy: 0.6514727083429908
Energy: 0.7094051697067855
Energy: 0.6512252017038818
Energy: 0.6892795028099918
Energy: 0.6416736770206302
Energy: 0.6892795028097931
Energy: 0.6509365126479838
Energy: 0.7112297780425149
Energy: 0.6418274648646777
Energy: 0.7112297780427383
Energy: 0.6742290690708624
Energy: 0.6937356477199002
Energy: 0.6787018631010112
Energy: 0.6937356477183855
Energy: 0.6518670827461565
Energy: 0.699251759388102
Energy: 0.6421096665149107
Energy: 0.6992517593883006
Energy: 0.6413298118084922
Energy: 0.6997149275405035
Energy: 0.6759017123009203
Energy: 0.6997149275407022

minimum gb energy = 0.6413298118084922 eV
minimum distance =  2.57434525511648 Angstroms
sigma value = 5


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

Energy: 0.9295511009073524
Energy: 0.8002662437466177
Energy: 0.7403670985236559
Energy: 0.8102262967077192
Energy: 0.7542487168295577
Energy: 0.7823955638169086
Energy: 0.7611337874719483
Energy: 0.7823955638169086
Energy: 0.7545006047914681
Energy: 0.778814669674528
Energy: 0.7615826465631033
Energy: 0.778814669674528
Energy: 0.703154256368813
Energy: 0.7702664018922668
Energy: 0.7763837336905192
Energy: 0.7702664018922668
Energy: 0.7691313140354727
Energy: 0.7386070322138464
Energy: 0.7547533169536901
Energy: 0.7386070322138464
Energy: 0.6709314577151987
Energy: 0.6721586094262365
Energy: 0.7833725440036948
Energy: 0.6721586094262365
Energy: 0.6827806427350042
Energy: 0.7770956400678226
Energy: 0.7771475649162869
Energy: 0.7770956400684286
Energy: 0.6751509207998991
Energy: 0.7394567648692805
Energy: 0.9218986255579644
Energy: 0.7394567648692805
Energy: 0.7580178392367027
Energy: 0.7842961698460722
Energy: 0.8065386422740445
Energy: 0.7842961698460722
Energy: 0.8208046723378702
Energy: 0.6726027553968892
Energy: 0.6529849613785373
Energy: 0.6726027553968892
Energy: 0.7551150278564832
Energy: 0.7127328192973535
Energy: 0.6467463514267354
Energy: 0.7127328192973535
Energy: 0.8073020461440001
Energy: 0.7693993922445651
Energy: 0.6434706675582887
Energy: 0.7693993922445651
Energy: 0.8666488656858463
Energy: 0.7685165954880264
Energy: 0.7126328305123125
Energy: 0.7685165954874202
Energy: 0.7516311005554646
Energy: 0.7692941672801782
Energy: 0.758952899465399
Energy: 0.7692941672807844
Energy: 0.6743074911433025
Energy: 0.7705270366171221
Energy: 0.7553826644187718
Energy: 0.7705270366171221
Energy: 0.6692672040489162
Energy: 0.7102618886824408
Energy: 0.7763503420442681
Energy: 0.7102618886824408
Energy: 0.6735307273009489
Energy: 0.6737893286251918
Energy: 1.2080855277806062
Energy: 0.6737893286251918
Energy: 0.7560791764730279
Energy: 0.7544833434101668
Energy: 0.7567602551488464
Energy: 0.7544833434089547
Energy: 0.8207268263086623
Energy: 0.7990088020829856
Energy: 0.7538468475840024
Energy: 0.7990088020835918
Energy: 0.7564267104408784
Energy: 0.7895265427785909
Energy: 0.7159136165764342
Energy: 0.789526542777985
Energy: 0.7750068349207707
Energy: 0.7419345427598673
Energy: 0.7695977172211848
Energy: 0.7419345427598673
Energy: 0.7577381840471253
Energy: 0.6684462001256734
Energy: 0.6748510261363695
Energy: 0.6684462001256734
Energy: 0.7760416294323063
Energy: 0.6859479689472718
Energy: 0.6751017640164537
Energy: 0.6859479689472718
Energy: 0.7998687419711751
Energy: 0.7388867177622325
Energy: 0.6739582739010384
Energy: 0.7388867177622325
Energy: 0.8086635654112146
Energy: 0.7841236624405127
Energy: 0.7553260701888518
Energy: 0.7841236624405127
Energy: 0.6568909635458318
Energy: 0.8058991873874517
Energy: 0.820443006779988
Energy: 0.8058991873880578
Energy: 0.6467274350566735
Energy: 0.7126953668900641
Energy: 0.7579955749491626
Energy: 0.7126953668894581
Energy: 0.6481098667810667
Energy: 0.7689920590709962
Energy: 0.7613722733536773
Energy: 0.7689920590709962
Energy: 0.652378932828491
Energy: 0.7354954479851715
Energy: 0.9200695115227444
Energy: 0.7354954479851715
Energy: 0.7570523108057629
Energy: 0.770954615633694
Energy: 0.7520986276160424
Energy: 0.7709546156330882
Energy: 0.762643816008151
Energy: 0.7359960958060647
Energy: 0.6734692699182946
Energy: 0.7359960958054587
Energy: 0.7761352481707938
Energy: 0.7133100671690195
Energy: 0.6735377709862257
Energy: 0.7133100671684136
Energy: 1.1763435098145245
Energy: 0.6681442328996139
Energy: 0.6744679923114171
Energy: 0.6681442328996139

minimum gb energy = 0.6434706675582887 eV
minimum distance =  2.55212561598845 Angstroms
sigma value = 1


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

Energy: 1.0728928166261409
Energy: 0.6358205778557545
Energy: 0.7396246988365914
Energy: 0.7294036169929458
Energy: 0.7895143481807332
Energy: 0.7372314380173035
Energy: 0.7661265282634638
Energy: 0.7372314380173035
Energy: 0.7676110104546244
Energy: 0.789116061669617
Energy: 0.8297760142918993
Energy: 0.789116061670455
Energy: 0.7505945334533008
Energy: 0.7499794390379638
Energy: 0.8005742771076607
Energy: 0.7499794390371258
Energy: 0.7748903453636957
Energy: 0.7399319110447833
Energy: 0.750652423723214
Energy: 0.7399319110447833
Energy: 0.6593832349256495
Energy: 0.7131221766130077
Energy: 0.7888699354326235
Energy: 0.7131221766130077
Energy: 0.663624337528256
Energy: 0.7841753652264678
Energy: 0.813863712601973
Energy: 0.7841753652264678
Energy: 0.6699227475233751
Energy: 0.7038805406264176
Energy: 0.813533259552768
Energy: 0.7038805406264176
Energy: 0.7621258830540419
Energy: 0.7777601524602572
Energy: 0.8133980957976125
Energy: 0.7777601524610952
Energy: 0.9026281086341975
Energy: 0.675078997846121
Energy: 0.681677644337102
Energy: 0.675078997846121
Energy: 0.7667354614159448
Energy: 0.7929471805367103
Energy: 0.7081776384327175
Energy: 0.7929471805367103
Energy: 0.8172556350719482
Energy: 0.6637170861340738
Energy: 0.6734631613754609
Energy: 0.6637170861349119
Energy: 0.8163139976433976
Energy: 0.744907893603857
Energy: 0.6914052526717922
Energy: 0.744907893604695
Energy: 0.7735741016297686
Energy: 0.7455570182370186
Energy: 0.7773888308931183
Energy: 0.7455570182370186
Energy: 0.7385903479280753
Energy: 0.7453556095948186
Energy: 0.77730992591568
Energy: 0.7453556095948186
Energy: 0.7419546475151038
Energy: 0.7377629550490118
Energy: 0.8239462883284919
Energy: 0.7377629550490118
Energy: 0.7335341768370044
Energy: 0.6716675201355198
Energy: 1.266754071815701
Energy: 0.6716675201355198
Energy: 0.6775068218254915
Energy: 0.6876929557540608
Energy: 0.7898884429462484
Energy: 0.6876929557532229
Energy: 0.6588751681560118
Energy: 0.7275173666010651
Energy: 0.8134527115432394
Energy: 0.7275173666010651
Energy: 0.66427911522779
Energy: 0.7989384305072575
Energy: 1.0639881982340467
Energy: 0.7989384305064197
Energy: 0.7916126330968121
Energy: 0.7820541529284297
Energy: 0.8156158162258953
Energy: 0.7820541529284297
Energy: 0.8107514545217698
Energy: 0.6987878437291475
Energy: 0.6602657213744884
Energy: 0.6987878437299854
Energy: 0.8055432955508619
Energy: 0.6589434420840188
Energy: 0.6563802209438551
Energy: 0.6589434420831809
Energy: 0.8111971360044592
Energy: 0.6546420742961553
Energy: 0.6560742593002044
Energy: 0.6546420742961553

minimum gb energy = 0.6358205778557545 eV
minimum distance =  2.50662909350609 Angstroms
sigma value = 17


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

Energy: 1.0323202738001125
Energy: 0.6213233958798041
Energy: 0.7465868337669217
Energy: 0.7849842211460457
Energy: 0.8284728307690998
Energy: 0.717082911335707
Energy: 0.7284024360891423
Energy: 0.7170829113351892
Energy: 0.77010789360798
Energy: 0.8099167486933903
Energy: 0.7425911313695945
Energy: 0.8099167486939082
Energy: 0.8212631543171506
Energy: 0.7806308467382973
Energy: 0.7287078720383374
Energy: 0.7806308467382973
Energy: 0.829383295562927
Energy: 0.7829315594542106
Energy: 0.8088491652693215
Energy: 0.7829315594536925
Energy: 0.6291048273959162
Energy: 0.6848646905620824
Energy: 0.8216325288071678
Energy: 0.6848646905620824
Energy: 0.6275894432914995
Energy: 0.7020161041282634
Energy: 0.8283917685303933
Energy: 0.7020161041277456
Energy: 0.6307327087749958
Energy: 0.624136650825821
Energy: 1.0239651072221032
Energy: 0.624136650825303
Energy: 0.8150916495710142
Energy: 0.7715386373883185
Energy: 0.8389931431381794
Energy: 0.7715386373883185
Energy: 0.7516022704786444
Energy: 0.816027643928386
Energy: 0.7438097504131795
Energy: 0.816027643927868
Energy: 0.8089147479802326
Energy: 0.7556422016925343
Energy: 0.6603329595793288
Energy: 0.7556422016930521
Energy: 0.835141227304471
Energy: 0.718283542993776
Energy: 0.7512461489379868
Energy: 0.7182835429942939
Energy: 0.9376646614742963
Energy: 0.6480506807788853
Energy: 0.6613737962169947
Energy: 0.6480506807794032
Energy: 0.8374008437776823
Energy: 0.6419606177115553
Energy: 0.6473524487079086
Energy: 0.6419606177115553
Energy: 0.8166915192716375
Energy: 0.6908328536123266
Energy: 0.6524702889143492
Energy: 0.6908328536128444
Energy: 0.8461885422087794
Energy: 0.7789010874185287
Energy: 0.8627369387482863
Energy: 0.7789010874195645
Energy: 0.6607793940490485
Energy: 0.7162723142660913
Energy: 0.9332022633157465
Energy: 0.7162723142650556
Energy: 0.6427114480252267
Energy: 0.7227575045582347
Energy: 0.844237788418636
Energy: 0.7227575045587527
Energy: 0.6588314265869986
Energy: 0.6531093237225827
Energy: 0.8349394813992521
Energy: 0.6531093237231006
Energy: 0.7554686099943678
Energy: 0.6552722374917468
Energy: 1.033017510035974
Energy: 0.6552722374917468
Energy: 0.7233574658767372
Energy: 0.7523060975521868
Energy: 0.8492417734316706
Energy: 0.7523060975521868
Energy: 0.7232783300355894
Energy: 0.7589045788405838
Energy: 0.7714092741426585
Energy: 0.7589045788400658
Energy: 0.8276040223282044
Energy: 0.7676025402820454
Energy: 0.7791211318659292
Energy: 0.7676025402820454
Energy: 0.9202453574531474
Energy: 0.7706919836422601
Energy: 0.7512152557944264
Energy: 0.770691983642778
Energy: 0.8491416829686775
Energy: 0.6824072115753635
Energy: 0.6307012449004337
Energy: 0.6824072115758814
Energy: 0.8304332731937586
Energy: 0.6835606518982055
Energy: 0.6254076471518838
Energy: 0.6835606518982055
Energy: 1.027783440707516
Energy: 0.6763310434233596
Energy: 0.6269961598927787
Energy: 0.6763310434233596
Energy: 0.8343552484530148
Energy: 0.7706261258057548
Energy: 0.8150080969198605
Energy: 0.7706261258062729
Energy: 0.7214278072249319
Energy: 0.7873719956411313
Energy: 0.7517095241836514
Energy: 0.7873719956411313
Energy: 0.6657150949424535
Energy: 0.7165799663205599
Energy: 0.8081195484284743
Energy: 0.7165799663210777
Energy: 0.7305432814666533
Energy: 0.7190188004380623
Energy: 0.8379728317209498
Energy: 0.7190188004385804
Energy: 0.6610256735218568
Energy: 0.6633282649322326
Energy: 0.8292802230481343
Energy: 0.6633282649317146
Energy: 0.6430673191019011
Energy: 0.6413397095567951
Energy: 0.8395231532432832
Energy: 0.6413397095562772
Energy: 0.6532285033028884
Energy: 0.6932169705610614
Energy: 0.8281011735573968
Energy: 0.6932169705615794
Energy: 0.8660850767138214
Energy: 0.7767353579928469
Energy: 0.8612011589295785
Energy: 0.7767353579928469
Energy: 0.9426987789325761
Energy: 0.6603020864129562
Energy: 0.6586273606908921
Energy: 0.6603020864103667
Energy: 0.845651709674694
Energy: 0.7118218670037049
Energy: 0.6400238997647953
Energy: 0.7118218670037049
Energy: 0.8392006713179335
Energy: 0.6538819258905118
Energy: 0.6610283598889588
Energy: 0.65388192588844

minimum gb energy = 0.6213233958798041 eV
minimum distance =  2.52254783944356 Angstroms
sigma value = 89


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

Energy: 1.0963076605188267
Energy: 0.6186927823080002
Energy: 0.6091630325213069
Energy: 0.60930800947531
Energy: 0.8461211448665709
Energy: 0.6785187716896727
Energy: 0.7515544987133776
Energy: 0.6785187716896727
Energy: 0.582018785599983
Energy: 0.6786814675720677
Energy: 0.7373864529292692
Energy: 0.6786814675720677
Energy: 0.5842237463821287
Energy: 0.6776338535484653
Energy: 0.7516442435829809
Energy: 0.6776338535484653
Energy: 0.6553554440186352
Energy: 0.6747548604621505
Energy: 0.7341044317783993
Energy: 0.6747548604621505
Energy: 0.5862766398342434
Energy: 0.681112538600312
Energy: 0.7349239567492221
Energy: 0.681112538600312
Energy: 0.6082060312288982
Energy: 0.5857757161224298
Energy: 0.8520772848158109
Energy: 0.5857757161224298
Energy: 0.6101535502798242
Energy: 0.5865799216289578
Energy: 0.8471569775481618
Energy: 0.5865799216289578
Energy: 0.7512413494942298
Energy: 0.6799897138610462
Energy: 0.8457799855500816
Energy: 0.6799897138610462
Energy: 0.7374926642599703
Energy: 0.8260056797110912
Energy: 0.7376327374017367
Energy: 0.8260056797110912
Energy: 0.7508384278143486
Energy: 0.638905449528561
Energy: 0.5813359834970316
Energy: 0.6389054495299161
Energy: 0.7342782291561969
Energy: 0.6811364993314432
Energy: 0.7218747892091114
Energy: 0.6811364993314432
Energy: 0.8300413308749168
Energy: 0.6749824835933794
Energy: 0.6363419309332927
Energy: 0.6749824835947347
Energy: 0.8513637124320996
Energy: 0.5856496268317568
Energy: 0.5849139010262161
Energy: 0.5856496268317568
Energy: 0.8471862783142351
Energy: 0.675362392035927
Energy: 0.5892293272969252
Energy: 0.675362392035927

minimum gb energy = 0.5813359834970316 eV
minimum distance =  2.55192143581698 Angstroms
sigma value = 13


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

Energy: 0.9316018195552078
Energy: 0.7027808121807907
Energy: 0.7191084058040673
Energy: 0.5913038692945365
Energy: 0.9375168264352731
Energy: 0.6332747162961014
Energy: 0.6660442660457688
Energy: 0.6332747162966694
Energy: 0.8295820014415963
Energy: 0.7497895878509212
Energy: 0.651783495884876
Energy: 0.7497895878509212
Energy: 0.7272897449153624
Energy: 0.7752972420876564
Energy: 0.7410024721191639
Energy: 0.7752972420887666
Energy: 0.862492865885804
Energy: 0.7469316069426953
Energy: 0.8141959268102789
Energy: 0.7469316069432633
Energy: 0.6529835681057741
Energy: 0.7542207922883037
Energy: 0.7864390354362022
Energy: 0.7542207922900077
Energy: 0.6700155110892588
Energy: 0.6321235349619889
Energy: 0.9373243782945885
Energy: 0.632123534964829
Energy: 0.708995530741048
Energy: 0.6291804018609489
Energy: 1.017632607731908
Energy: 0.6291804018609489
Energy: 0.5942787179542345
Energy: 0.6327025981415516
Energy: 0.9337713774843045
Energy: 0.6327025981404156
Energy: 0.5727274232203802
Energy: 0.6925555006110742
Energy: 0.9444997974610719
Energy: 0.6925555006105062
Energy: 0.5879831822381897
Energy: 0.6931747664018789
Energy: 0.9325416131244595
Energy: 0.6931747664018789
Energy: 0.7853311199399067
Energy: 0.7227657430453094
Energy: 0.9437481061003045
Energy: 0.7227657430447414
Energy: 0.8142008088307937
Energy: 0.761047904460691
Energy: 0.7817210969616049
Energy: 0.761047904462395
Energy: 0.759603091227216
Energy: 0.7228295626266497
Energy: 0.7276761789047387
Energy: 0.7228295626294897
Energy: 0.9241821736731334
Energy: 0.7200931280748675
Energy: 0.7417926232846643
Energy: 0.7200931280737315
Energy: 0.8757868718332662
Energy: 0.7243471763655663
Energy: 0.5779835616452733
Energy: 0.7243471763655663
Energy: 0.9370929289699089
Energy: 0.5668403128377596
Energy: 0.5819500173706864
Energy: 0.5668403128400317
Energy: 0.9330469058806062
Energy: 0.6293930085399505
Energy: 0.5881311569582369
Energy: 0.6293930085388145
Energy: 0.9306841994417955
Energy: 0.6336784752226429
Energy: 0.670394918984371
Energy: 0.6336784752226429
Energy: 0.8857278626784627
Energy: 0.7713664588454234
Energy: 0.6472572262813331
Energy: 0.7713664588454234
Energy: 0.7260049616049916
Energy: 0.7653236885468724
Energy: 0.6427547141337577
Energy: 0.7653236885480085
Energy: 0.8618351722175843
Energy: 0.743406937148526
Energy: 0.783063300542646
Energy: 0.7434069371490939
Energy: 0.6565519912749908
Energy: 0.7582003062385495
Energy: 0.8140659320734425
Energy: 0.7582003062391175
Energy: 0.5675702572051012
Energy: 0.6315907745482787
Energy: 0.8788137025843887
Energy: 0.6315907745465749
Energy: 0.6867727377094169
Energy: 0.6348668238614992
Energy: 0.9217951089455031
Energy: 0.6348668238609312
Energy: 0.5776766975358468
Energy: 0.6330585078547752
Energy: 0.8751471554304797
Energy: 0.6330585078547752
Energy: 0.5659086551858872
Energy: 0.565121898260604
Energy: 0.9396220887138783
Energy: 0.5651218982628761
Energy: 0.6015575041360463
Energy: 0.7308841566457422
Energy: 0.9006365528105934
Energy: 0.7308841566440382
Energy: 0.7660641762965191
Energy: 0.7206376034851152
Energy: 0.9365507692060868
Energy: 0.7206376034828431
Energy: 0.6469662767167386
Energy: 0.7791557750739111
Energy: 0.7814677815126566
Energy: 0.779155775072775
Energy: 0.759479231358272
Energy: 0.81194901906928
Energy: 0.7260695246489185
Energy: 0.8119490190698481
Energy: 0.8762719517394313
Energy: 0.7239353336925434
Energy: 0.7851815129528023
Energy: 0.7239353336948154
Energy: 0.9230550907833086
Energy: 0.7195893819825164
Energy: 0.5956462691154982
Energy: 0.7195893819836525
Energy: 0.9372922498763483
Energy: 0.5657634843224988
Energy: 0.565932132303746
Energy: 0.5657634843219308
Energy: 0.9309994950973274
Energy: 0.6476124878766675
Energy: 0.5931542237859769
Energy: 0.6476124878760995

minimum gb energy = 0.565121898260604 eV
minimum distance =  2.48819808249466 Angstroms
sigma value = 37


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

Energy: 0.9019128405246697
Energy: 0.6183450114397305
Energy: 0.5335030068081676
Energy: 0.5620794529251935
Energy: 0.9710751115789255
Energy: 0.6329868130521006
Energy: 0.6643914752461914
Energy: 0.6329868130521006
Energy: 0.8117045205427756
Energy: 0.6849933124952964
Energy: 0.6754112397440221
Energy: 0.6849933124952964
Energy: 0.8892973776934335
Energy: 0.7693536282981166
Energy: 0.7510095066204429
Energy: 0.7693536282981166
Energy: 0.8353984927882346
Energy: 0.7121240304534074
Energy: 0.7305635115895779
Energy: 0.7121240304543848
Energy: 0.6865242358885327
Energy: 0.7210731423581916
Energy: 0.8322248654039002
Energy: 0.7210731423581916
Energy: 0.5913771412489696
Energy: 0.6160001386797949
Energy: 0.9276050236458248
Energy: 0.6160001386797949
Energy: 0.70013842240239
Energy: 0.5714402636422853
Energy: 1.1047837977624073
Energy: 0.5714402636422853
Energy: 0.5896499734526328
Energy: 0.5270494287756609
Energy: 0.9153435616763028
Energy: 0.5270494287756609
Energy: 0.5800482098704239
Energy: 0.7005613724463359
Energy: 0.9701644689249365
Energy: 0.7005613724463359
Energy: 0.6378451905326078
Energy: 0.6367497834154743
Energy: 0.7942593170074868
Energy: 0.6367497834154743
Energy: 0.6971667517509935
Energy: 0.7006144951011213
Energy: 0.9719616052789906
Energy: 0.7006144951011213
Energy: 0.7310720205511255
Energy: 0.6803188172960655
Energy: 0.8709433722802984
Energy: 0.6803188172950883
Energy: 0.8183628689244167
Energy: 0.7174904097832057
Energy: 0.9066408881625215
Energy: 0.7174904097832057
Energy: 0.7305635115895779
Energy: 0.7116053214028782
Energy: 0.8188976846464122
Energy: 0.7116053214028782
Energy: 0.8322248654039002
Energy: 0.7178058507751752
Energy: 0.6511544829663475
Energy: 0.7178058507751752
Energy: 0.9428877223820902
Energy: 0.6227866341048498
Energy: 0.5911748435567307
Energy: 0.6227866341048498
Energy: 1.1047837977624073
Energy: 0.6229876238607258
Energy: 0.628361472742941
Energy: 0.6229876238597486
Energy: 0.9153435616753257
Energy: 0.5941975377243297
Energy: 0.532622471192407
Energy: 0.5941975377243297
Energy: 0.9418875986223376
Energy: 0.6330237258394216
Energy: 0.5477592188356658
Energy: 0.6330237258394216

minimum gb energy = 0.5270494287756609 eV
minimum distance =  2.50413659782726 Angstroms
sigma value = 25


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

Energy: 1.0494326942742307
Energy: 0.6287210618410192
Energy: 0.47594071425759654
Energy: 0.5859018328360497
Energy: 1.0324870842284875
Energy: 0.5556146222227091
Energy: 0.5643911670845871
Energy: 0.5556146222227091
Energy: 0.9043856943622096
Energy: 0.6009396851838239
Energy: 0.5799488130263846
Energy: 0.6009396851830608
Energy: 0.7457613132932166
Energy: 0.6641381091051782
Energy: 0.7818349742627192
Energy: 0.6641381091051782
Energy: 0.9110147753969702
Energy: 0.6669078031051322
Energy: 0.7825626018893787
Energy: 0.6669078031043691
Energy: 0.7816137828767701
Energy: 0.6578324579958347
Energy: 0.7656866934165363
Energy: 0.6578324579965976
Energy: 0.751391768346669
Energy: 0.6600683086505188
Energy: 0.8354523487567406
Energy: 0.6600683086497557
Energy: 0.7344893513491744
Energy: 0.6568279479247556
Energy: 0.8948866094619966
Energy: 0.6568279479239926
Energy: 0.5945171588740655
Energy: 0.6551805303139678
Energy: 0.9483391450241675
Energy: 0.6551805303139678
Energy: 0.5944029459722847
Energy: 0.5424527067805508
Energy: 0.9936287871515914
Energy: 0.5424527067797879
Energy: 0.5187221211724506
Energy: 0.5100778581183641
Energy: 0.8892595767844673
Energy: 0.510077858117601
Energy: 0.5240128986872423
Energy: 0.5308827267477099
Energy: 0.9934243905629114
Energy: 0.5308827267477099
Energy: 0.5160789483954795
Energy: 0.6281308839799211
Energy: 1.026819169199706
Energy: 0.6281308839806843
Energy: 0.6012952290579221
Energy: 0.6263705893494909
Energy: 0.9681768664352913
Energy: 0.6263705893494909
Energy: 0.6258479595173508
Energy: 0.5895170294895452
Energy: 0.9082573904405467
Energy: 0.5895170294895452
Energy: 0.6238370363476151
Energy: 0.5535053995174487
Energy: 0.9045562355582897
Energy: 0.5535053995174487
Energy: 0.7754788384115276
Energy: 0.6542237961884025
Energy: 0.9055817569697674
Energy: 0.6542237961876394
Energy: 0.6213363555957359
Energy: 0.6536851873992467
Energy: 0.9044164125139517
Energy: 0.6536851873992467
Energy: 0.7937169900536747
Energy: 0.6629355899336201
Energy: 0.7589108629663535
Energy: 0.6629355899343832
Energy: 0.9567336836095585
Energy: 0.6596908989895724
Energy: 0.7371073286649873
Energy: 0.6596908989895724
Energy: 0.89327230440081
Energy: 0.6940626906745184
Energy: 0.5653717216890871
Energy: 0.6940626906745184
Energy: 0.9554892754939439
Energy: 0.647730070010092
Energy: 0.5183694612345704
Energy: 0.647730070010092
Energy: 0.9810954669627123
Energy: 0.5559143241099338
Energy: 0.5671353035094638
Energy: 0.5559143241091707
Energy: 0.8913424461370933
Energy: 0.5563418283669471
Energy: 0.47515093966426775
Energy: 0.5563418283669471
Energy: 1.0351899177511736
Energy: 0.47142025196818227
Energy: 0.4733633267396479
Energy: 0.47142025196665616
Energy: 0.9036817580085904
Energy: 0.557245214341237
Energy: 0.47516275554870907
Energy: 0.5572452143404739

minimum gb energy = 0.47142025196665616 eV
minimum distance =  2.49812894114577 Angstroms
sigma value = 41


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

Energy: 1.0630300490801785
Energy: 0.5986159632407851
Energy: 0.6389343151103488
Energy: 0.4280687297189927
Energy: 1.0666466745718857
Energy: 0.4966355763627704
Energy: 0.5014263905126224
Energy: 0.4966355763627704
Energy: 0.9283950804143499
Energy: 0.5654862858598236
Energy: 0.5124935450826776
Energy: 0.5654862858598236
Energy: 0.8245002640652908
Energy: 0.5994089980015371
Energy: 0.6798654408433049
Energy: 0.5994089980015371
Energy: 0.9243063066844143
Energy: 0.5989332993682616
Energy: 0.6778549833274901
Energy: 0.5989332993682616
Energy: 0.7786115898055207
Energy: 0.6111828264966302
Energy: 0.6743973972673786
Energy: 0.6111828264960045
Energy: 0.8170906231681769
Energy: 0.6325980998136724
Energy: 0.8485999517475815
Energy: 0.6325980998136724
Energy: 0.7790622205790751
Energy: 0.6382955690825174
Energy: 0.7080608152136857
Energy: 0.6382955690825174
Energy: 0.5967640858589434
Energy: 0.6264538931021582
Energy: 0.8522798921162328
Energy: 0.6264538931021582
Energy: 0.5848173205538957
Energy: 0.6011192889157112
Energy: 0.9971813703342536
Energy: 0.6011192889157112
Energy: 0.499464545755649
Energy: 0.6225576173148191
Energy: 0.9435716934945694
Energy: 0.6225576173148191
Energy: 0.5095986885595108
Energy: 0.5640820690965397
Energy: 0.9968802195987339
Energy: 0.5640820690965397
Energy: 0.5013621161778348
Energy: 0.49541745724050235
Energy: 0.9955236091613016
Energy: 0.49541745724050235
Energy: 0.42465766975749786
Energy: 0.4964909432967698
Energy: 0.9444347375541251
Energy: 0.49649094329614424
Energy: 0.42520082535486414
Energy: 0.496093666388205
Energy: 1.064461308255389
Energy: 0.496093666388205
Energy: 0.4290189523047748
Energy: 0.49618028535203995
Energy: 0.919595374103607
Energy: 0.49618028535203995
Energy: 0.5038918398468621
Energy: 0.49658458760161744
Energy: 0.9209040329439985
Energy: 0.49658458760161744
Energy: 0.5071432633872187
Energy: 0.5887778907654999
Energy: 0.9928442731542289
Energy: 0.5887778907648742
Energy: 0.5075777789898398
Energy: 0.5804473171246913
Energy: 0.8376404338174801
Energy: 0.5804473171246913
Energy: 0.6729376298729925
Energy: 0.5989615865579403
Energy: 0.7789821766505772
Energy: 0.5989615865579403
Energy: 0.7074336527053835
Energy: 0.626453316754672
Energy: 0.8503713036899568
Energy: 0.626453316754672
Energy: 0.67480672093403
Energy: 0.6352103227178176
Energy: 0.826737592679061
Energy: 0.6352103227178176
Energy: 0.8529760348473553
Energy: 0.6306079192397395
Energy: 0.7763512874970268
Energy: 0.6306079192397395
Energy: 0.7083363064743908
Energy: 0.6362769616810446
Energy: 0.674053973517051
Energy: 0.6362769616816704
Energy: 0.8490698476200045
Energy: 0.6291117632596932
Energy: 0.5899717800695673
Energy: 0.6291117632590677
Energy: 0.855565558919062
Energy: 0.5998849557443352
Energy: 0.6735831758611796
Energy: 0.5998849557443352
Energy: 0.8940389325479358
Energy: 0.5996312321711518
Energy: 0.5039437897086944
Energy: 0.5996312321711518
Energy: 0.9925340039215989
Energy: 0.49579555800257036
Energy: 0.5090088683581522
Energy: 0.49579555800257036
Energy: 0.8811878788189267
Energy: 0.4964017022009882
Energy: 0.558072725914386
Energy: 0.4964017022009882
Energy: 0.8529294339642193
Energy: 0.496058091133593
Energy: 0.43005574140703134
Energy: 0.4960580911342185
Energy: 0.9935455028679034
Energy: 0.42389023369951634
Energy: 0.4246921130648644
Energy: 0.42389023369951634
Energy: 1.0657797649688645
Energy: 0.49646602685261393
Energy: 0.4246124949255069
Energy: 0.49646602685323943

minimum gb energy = 0.42389023369951634 eV
minimum distance =  2.49609348307924 Angstroms
sigma value = 15


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

Energy: 0.922855665195574
Energy: 0.5425912155704544
Energy: 0.6182592877901398
Energy: 0.6762269197167762
Energy: 1.029025377493278
Energy: 0.4532524139550062
Energy: 0.45579720267393703
Energy: 0.45325241395659616
Energy: 0.9692253091902976
Energy: 0.5117557323208892
Energy: 0.4674119541894614
Energy: 0.5117557323203592
Energy: 0.923206870711051
Energy: 0.5478703688013287
Energy: 0.6181241189711811
Energy: 0.5478703688018586
Energy: 0.9630163624137907
Energy: 0.5514658984601822
Energy: 0.631151792811918
Energy: 0.5514658984601822
Energy: 0.8389645878192429
Energy: 0.5586565798127153
Energy: 0.6212328706279666
Energy: 0.5586565798127153
Energy: 0.728678133472021
Energy: 0.5901250365764136
Energy: 0.7672778566240454
Energy: 0.5901250365769434
Energy: 0.8374520802941451
Energy: 0.5895086818170872
Energy: 0.627777603469049
Energy: 0.5895086818181472
Energy: 0.7010171978863399
Energy: 0.5963637575423968
Energy: 0.7667275295932036
Energy: 0.5963637575418669
Energy: 0.6998676967842427
Energy: 0.5862956730209182
Energy: 0.9003170214915592
Energy: 0.5862956730203882
Energy: 0.61387395546047
Energy: 0.5678438637043833
Energy: 0.8232899891471595
Energy: 0.5678438637049132
Energy: 0.5321911765256981
Energy: 0.5744211296695593
Energy: 0.8998217017222838
Energy: 0.5744211296706192
Energy: 0.6067609114923205
Energy: 0.5488456600490758
Energy: 0.9030969677631239
Energy: 0.5488456600490758
Energy: 0.4645488272958012
Energy: 0.5479953670694763
Energy: 0.8246457295443572
Energy: 0.5479953670684163
Energy: 0.4617060816319803
Energy: 0.47563496942771394
Energy: 1.0205608520669471
Energy: 0.475634969426124
Energy: 0.45628775808827027
Energy: 0.45484506368581834
Energy: 0.9052329586845805
Energy: 0.45484506368581834
Energy: 0.4024162876239706
Energy: 0.45381577633510994
Energy: 0.9104024401889247
Energy: 0.4538157763356399
Energy: 0.3904861816144855
Energy: 0.45273871675656674
Energy: 1.0231319498165437
Energy: 0.45273871675656674
Energy: 0.4004630209752719
Energy: 0.45399087723394216
Energy: 0.8424245812040788
Energy: 0.4539908772334122
Energy: 0.45748259688178916
Energy: 0.4542291641292216
Energy: 0.972664237979668
Energy: 0.4542291641292216
Energy: 0.45941589130690597
Energy: 0.5337096001675661
Energy: 0.96301244088279
Energy: 0.533709600168096
Energy: 0.46564855759845325
Energy: 0.5479140042004911
Energy: 0.9244624779634849
Energy: 0.5479140042004911
Energy: 0.606380857073255
Energy: 0.5484498676196813
Energy: 0.8373008160321925
Energy: 0.5484498676202112
Energy: 0.6290671647875258
Energy: 0.548802831942684
Energy: 0.9001905336759374
Energy: 0.548802831942684
Energy: 0.6130683035277714
Energy: 0.5943035528357853
Energy: 0.72458797945627
Energy: 0.5943035528357853
Energy: 0.7746392672515973
Energy: 0.5860045133683376
Energy: 0.9024030392918406
Energy: 0.5860045133678077
Energy: 0.632093653320804
Energy: 0.5964033360521552
Energy: 0.7672024392269202
Energy: 0.5964033360516252
Energy: 0.771257585219795
Energy: 0.5901727162423386
Energy: 0.7248320928280622
Energy: 0.5901727162428687
Energy: 0.7785655657420719
Energy: 0.5880427776396302
Energy: 0.7679922267217263
Energy: 0.5880427776401601
Energy: 0.7744974259256945
Energy: 0.5745455683488567
Energy: 0.6226270318223495
Energy: 0.5745455683483267
Energy: 0.9880380734884575
Energy: 0.5760914718945777
Energy: 0.5319555421755636
Energy: 0.5760914718945777
Energy: 0.8255356726263683
Energy: 0.5478681357099229
Energy: 0.6137653211482483
Energy: 0.5478681357099229
Energy: 0.9037447777376616
Energy: 0.5136273234130027
Energy: 0.46598292458124124
Energy: 0.5136273234130027
Energy: 1.025195533395772
Energy: 0.45357027341835304
Energy: 0.45474671086390284
Energy: 0.45357027341941303
Energy: 1.0249991430030274
Energy: 0.4551605043174353
Energy: 0.4523518283072208
Energy: 0.4551605043169053
Energy: 1.0242178493133227
Energy: 0.45409124267087464
Energy: 0.3968084300112177
Energy: 0.45409124267087464
Energy: 0.9666016847382367
Energy: 0.4540189956372814
Energy: 0.3972169035247218
Energy: 0.45401899563781134

minimum gb energy = 0.3904861816144855 eV
minimum distance =  2.4924107180405 Angstroms
sigma value = 85


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

Energy: 1.028834523140315
Energy: 0.4812647721738114
Energy: 0.49868539582901644
Energy: 0.3531892812433163
Energy: 1.0313308365735472
Energy: 0.40870937381210193
Energy: 0.4100332021349959
Energy: 0.40870937381256156
Energy: 0.8972895030204404
Energy: 0.44776524452493244
Energy: 0.4137163088696253
Energy: 0.44776524452493244
Energy: 0.8535435445236842
Energy: 0.4943200715589255
Energy: 0.5429990697758247
Energy: 0.4943200715589255
Energy: 0.982424587788096
Energy: 0.5006609766293406
Energy: 0.5610477606585225
Energy: 0.5006609766298002
Energy: 0.7859608500609833
Energy: 0.5148262616257815
Energy: 0.5554014812198226
Energy: 0.5148262616253217
Energy: 0.776529964798041
Energy: 0.5317926540088241
Energy: 0.6900583717410411
Energy: 0.5317926540088241
Energy: 0.8709106883692096
Energy: 0.5314792839994134
Energy: 0.5988698474965273
Energy: 0.531479283999873
Energy: 0.7833083666661147
Energy: 0.5439517819422391
Energy: 0.6869760928523848
Energy: 0.543951781943618
Energy: 0.7836897901953406
Energy: 0.5412657707123669
Energy: 0.808966277142413
Energy: 0.5412657707137459
Energy: 0.688163567865617
Energy: 0.5395284478439046
Energy: 0.7672390350607835
Energy: 0.539528447843445
Energy: 0.6861088699610215
Energy: 0.5315543998301743
Energy: 0.8086245408159547
Energy: 0.5315543998301743
Energy: 0.6889116102693941
Energy: 0.5299542163795133
Energy: 0.849083782500598
Energy: 0.5299542163785942
Energy: 0.5377066491071653
Energy: 0.5303619753523787
Energy: 0.768201343259403
Energy: 0.5303619753523787
Energy: 0.5146966696619603
Energy: 0.5122635042844091
Energy: 0.9230660164028052
Energy: 0.5122635042844091
Energy: 0.5380584692263277
Energy: 0.48567693426555997
Energy: 0.8364121072326044
Energy: 0.48567693426464065
Energy: 0.42716050103234887
Energy: 0.4805476066137847
Energy: 0.8360904524350276
Energy: 0.4805476066133251
Energy: 0.4243421159858541
Energy: 0.4000169961168542
Energy: 1.0342560306446738
Energy: 0.4000169961168542
Energy: 0.42169777474353826
Energy: 0.40262431233986956
Energy: 0.949403998273305
Energy: 0.40262431233895024
Energy: 0.38240212802892526
Energy: 0.353767528272239
Energy: 0.9501259285846221
Energy: 0.3537675282717793
Energy: 0.3823888809894431
Energy: 0.38870961391259234
Energy: 1.0621428253921505
Energy: 0.3887096139121327
Energy: 0.37852629236634483
Energy: 0.4613007831847399
Energy: 0.9872736243717138
Energy: 0.46130078318382056
Energy: 0.4357942765005029
Energy: 0.45967230801416364
Energy: 0.976865846242202
Energy: 0.4596723080146234
Energy: 0.44522323433056715
Energy: 0.46213069415202973
Energy: 1.0077188201963803
Energy: 0.46213069415202973
Energy: 0.4403215997454717
Energy: 0.48339261408670653
Energy: 0.8523753012453884
Energy: 0.4833926140862469
Energy: 0.5617114915457356
Energy: 0.4839747207209387
Energy: 1.0060887590596423
Energy: 0.48397472072139835
Energy: 0.5874315854246075
Energy: 0.5125617413381819
Energy: 0.9093924772812472
Energy: 0.5125617413377223
Energy: 0.6795064434797257
Energy: 0.5244543039045467
Energy: 0.8536071413565529
Energy: 0.5244543039045467
Energy: 0.6955895627296953
Energy: 0.5242838833072293
Energy: 0.8968338405965355
Energy: 0.5242838833081485
Energy: 0.6940213863706806
Energy: 0.541226908054341
Energy: 0.788810957681678
Energy: 0.5412269080538812
Energy: 0.8101823241091106
Energy: 0.5389222604215613
Energy: 0.6850414079978155
Energy: 0.5389222604215613
Energy: 0.7699001406311605
Energy: 0.5390047605905823
Energy: 0.8197634896473
Energy: 0.5390047605905823
Energy: 0.8180055860533794
Energy: 0.5420795902638503
Energy: 0.6582888052649262
Energy: 0.5420795902629311
Energy: 0.9278360581216895
Energy: 0.530464225578668
Energy: 0.6592333980167264
Energy: 0.5304642255777487
Energy: 0.7664581255815055
Energy: 0.5307855129834732
Energy: 0.7326431625604309
Energy: 0.5307855129843925
Energy: 0.9295496611483572
Energy: 0.5105973921601304
Energy: 0.5668549279277498
Energy: 0.5105973921601304
Energy: 0.9499508985105618
Energy: 0.49227325504505615
Energy: 0.5426549654807638
Energy: 0.49227325504459657
Energy: 0.9410483712027025
Energy: 0.4939427181618072
Energy: 0.4075996349182525
Energy: 0.4939427181618072
Energy: 1.0386565985142293
Energy: 0.4263984177338169
Energy: 0.414926957782902
Energy: 0.4263984177342766
Energy: 0.9483885007438534
Energy: 0.4098619068341055
Energy: 0.40786484191936684
Energy: 0.4098619068350249
Energy: 0.9435235563856155
Energy: 0.4115350323450498
Energy: 0.35332527671436087
Energy: 0.4115350323450498
Energy: 1.0620271617227566
Energy: 0.3814737221336267
Energy: 0.35380093427800263
Energy: 0.3814737221336267
Energy: 0.893307353202493
Energy: 0.4107068290577693
Energy: 0.35334038168712417
Energy: 0.4107068290568499

minimum gb energy = 0.3531892812433163 eV
minimum distance =  2.48916446662789 Angstroms
sigma value = 113


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

Energy: 0.01168235704015502
Energy: 0.012641580029454568
Energy: 0.8346947498370213
Energy: 0.37117301612958153
Energy: 0.012510461080007
Energy: 0.07835700237348629
Energy: 0.5382583207834679
Energy: 0.07835700237383963
Energy: 0.012316713061551734
Energy: 0.07657022109136602
Energy: 0.5383149633317641
Energy: 0.07657022109101266
Energy: 0.013474004924415759
Energy: 0.07821495787348877
Energy: 0.5392862038101162
Energy: 0.07821495787384214
Energy: 0.5388801412152248
Energy: 0.077911961993352
Energy: 0.6715805439429043
Energy: 0.07791196199370534
Energy: 0.012436441045061182
Energy: 0.07647386706433225
Energy: 0.5383989394196949
Energy: 0.07647386706433225

minimum gb energy = 0.01168235704015502 eV
minimum distance =  2.82774899728682 Angstroms
sigma value = 1