Model name: model_name=MEAM_LAMMPS_MirazDhariwalMeng_2020_CuNTi__MO_122936827583_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Cu
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.613315634429455
cohesive_energy=3.5402784095105506
mass=63.546
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
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: 0.013703111894902299
Energy: 0.8147033765366972
Energy: 0.013703111894623277
Energy: 0.8147033765366972
Energy: 0.013703111894902299
Energy: 0.8147033765370111
Energy: 0.8147033765366972
Energy: 0.25401762268652417
Energy: 0.8147033765366972
Energy: 1.0046215924904205
Energy: 0.8147033765366972
Energy: 0.8452789329025417
Energy: 0.013703111894902299
Energy: 0.8147033765366972
Energy: 0.013703111894623277
Energy: 0.8147033765370111
Energy: 0.013703111894623277
Energy: 0.8147033765370111
Energy: 0.8147033765366972
Energy: 1.0046204046670406
Energy: 0.8147033765370111
Energy: 0.9580140765832645
Energy: 0.8147033765370111
Energy: 0.8452789329028557
Energy: 0.013703111894623277
Energy: 0.8147033765366972
Energy: 0.013703111894623277
Energy: 0.8147033765370111
Energy: 0.013703111894902299
Energy: 0.8147033765370111
Energy: 0.8147033765370111
Energy: 0.8452789329019488
Energy: 0.8147033765370111
Energy: 0.8452789329022627
Energy: 0.8147033765370111
Energy: 0.8452789329022627

minimum gb energy = 0.013703111894623277 eV
minimum distance =  2.35366590489843 Angstroms
sigma value = 1


========================================
theta = 20.049975724151484
========================================

Energy: 1.0312789600727041
Energy: 0.9808250271160913
Energy: 1.0312789600719485
Energy: 0.9808250271153358
Energy: 1.0312789600727041
Energy: 0.9808250271153358
Energy: 1.117790402553623
Energy: 0.9130130544295808
Energy: 1.117790402553623
Energy: 0.9130130544288251
Energy: 1.1177904025528673
Energy: 0.9130130544295808
Energy: 0.9971729619622712
Energy: 1.049490898202399
Energy: 0.997172961963027
Energy: 1.0494908982031548
Energy: 0.9971729619622712
Energy: 1.0494908982031548
Energy: 1.087403295925691
Energy: 0.963270020567285
Energy: 1.0874032959272022
Energy: 0.963270020567285
Energy: 1.0874032959264466
Energy: 0.963270020567285
Energy: 0.9728018347877643
Energy: 1.0452087060867994
Energy: 0.9728018347877643
Energy: 1.0452087060867994
Energy: 0.9728018347885198
Energy: 1.0452087060867994
Energy: 1.0213082515239897
Energy: 0.9344951111494182
Energy: 1.0213082515239897
Energy: 0.9344951111494182
Energy: 1.0213082515239897
Energy: 0.9344951111509293
Energy: 0.9510555537604788
Energy: 1.0082207629592257
Energy: 0.951055553765768
Energy: 1.0082207629569588
Energy: 0.95105555376199
Energy: 1.0082207629569588
Energy: 0.9517200886035544
Energy: 1.074487760945482
Energy: 0.9517200886035544
Energy: 1.074487760945482
Energy: 0.9517200886043099
Energy: 1.0744877609462373
Energy: 1.0470794811700321
Energy: 1.0103195865537646
Energy: 1.0470794811707878
Energy: 1.0103195865537646
Energy: 1.0470794811692765
Energy: 1.0103195865537646
Energy: 0.9051805216954301
Energy: 1.0617059504859072
Energy: 0.9051805216954301
Energy: 1.0617059503529565
Energy: 0.9051805216954301
Energy: 1.0617059500568997
Energy: 1.0000802428227333
Energy: 0.9342520383631202
Energy: 1.0000802428227333
Energy: 0.9342520383631202
Energy: 1.0000802428234548
Energy: 0.9342520383631202
Energy: 0.8983438539476357
Energy: 0.9957742169325959
Energy: 0.8983438539468802
Energy: 0.9957742131230459
Energy: 0.8983438539468802
Energy: 0.9957742025388107
Energy: 1.1199049241319143
Energy: 0.8864492130681476
Energy: 1.1199049241334256
Energy: 0.8864492130681476
Energy: 1.1199049241349368
Energy: 0.8864492130681476
Energy: 0.9502784931754816
Energy: 0.9633146132662906
Energy: 0.9502784931754816
Energy: 0.9633146132678019
Energy: 0.9502784931769928
Energy: 0.9633146132564678
Energy: 1.1228658655340789
Energy: 0.916697716143579
Energy: 1.1228658655355899
Energy: 0.916697716143579
Energy: 1.122865865533323
Energy: 0.916697716143579
Energy: 1.1237879266198827
Energy: 1.0764875522876602
Energy: 1.1237879266183715
Energy: 1.0764875522876602
Energy: 1.1237879266198827
Energy: 1.0764875522869048
Energy: 0.9963864679614203
Energy: 1.0104969126551135
Energy: 0.9963864679591534
Energy: 1.0104969126551135
Energy: 0.9963864679599089
Energy: 1.010496912654358
Energy: 0.996212465160359
Energy: 0.9669431332242607
Energy: 0.996212465160359
Energy: 0.9669431332227497
Energy: 0.996212465160359
Energy: 0.9669431332219939
Energy: 0.9811362401913927
Energy: 0.9633265027273181
Energy: 0.9811362401913927
Energy: 0.9633265027258069
Energy: 0.9811362401913927
Energy: 0.9633265027250513
Energy: 1.0186060635310998
Energy: 0.9339097766133748
Energy: 1.0186060635303442
Energy: 0.9339097766126192
Energy: 1.0186060635303442
Energy: 0.9339097766133748
Energy: 0.9241082542079667
Energy: 1.0690404735662618
Energy: 0.9241082542087223
Energy: 1.0690404732747383
Energy: 0.9241082542087223
Energy: 1.0690404725866984
Energy: 1.0139831692446284
Energy: 1.0092854216479343
Energy: 1.013983169243873
Energy: 1.0092854216479343
Energy: 1.013983169243873
Energy: 1.00928542164869
Energy: 0.9077346791872258
Energy: 1.0801078004344156
Energy: 0.9077346791879815
Energy: 1.0801078004344156
Energy: 0.9077346791879815
Energy: 1.0801078004351712

minimum gb energy = 0.8864492130681476 eV
minimum distance =  2.27011006997249 Angstroms
sigma value = 33


========================================
theta = 22.84350731792459
========================================

Energy: 1.1049346816606316
Energy: 1.081117130037161
Energy: 1.0207534464302772
Energy: 1.0811171300375906
Energy: 1.104934681659772
Energy: 1.081117130036731
Energy: 1.108069983941265
Energy: 0.9627437944188698
Energy: 1.1080699839425543
Energy: 0.9627437944197292
Energy: 1.1080699839421244
Energy: 0.9627437944192995
Energy: 0.9582762127396154
Energy: 0.8722770708360394
Energy: 0.9582762127409047
Energy: 0.8722770708046654
Energy: 0.9582762127413345
Energy: 0.8722770707621172
Energy: 1.1740784383347682
Energy: 0.8725301477989696
Energy: 1.1740784383347682
Energy: 0.8725301477920933
Energy: 1.1740784383369172
Energy: 0.8725301478200288
Energy: 1.0497104789201193
Energy: 0.9322176277673504
Energy: 1.0497104789188298
Energy: 0.9322176277699291
Energy: 1.0497104789205491
Energy: 0.9322176277733675
Energy: 0.9629294895824174
Energy: 0.958383456577077
Energy: 0.9629294890565997
Energy: 0.9584998198510818
Energy: 0.9629294885239057
Energy: 0.9583834565762176
Energy: 1.0520100901207148
Energy: 1.0663411336058415
Energy: 1.0520100901108298
Energy: 1.0248660180340652
Energy: 1.0520100900983662
Energy: 1.0663411336045523
Energy: 0.8930244189343192
Energy: 0.9759915750082055
Energy: 0.8930244189381872
Energy: 0.9759915844944507
Energy: 0.8930244189373275
Energy: 0.9759915989888173
Energy: 0.940359743746557
Energy: 0.9618876046152149
Energy: 0.9403597437469868
Energy: 0.9618876046168949
Energy: 0.9403597437469868
Energy: 0.9618876046168949
Energy: 0.9341586642374357
Energy: 0.9790821413870806
Energy: 0.934211877767252
Energy: 0.9790815855131647
Energy: 0.9341586642352869
Energy: 0.9790809097367767
Energy: 0.9460455933503144
Energy: 0.9370743725945356
Energy: 0.9460455933408592
Energy: 0.9370743725945356
Energy: 0.9460455933266765
Energy: 0.937074372593676
Energy: 0.9594340038173433
Energy: 1.0407674834498368
Energy: 0.9594323069315293
Energy: 1.0407674834489773
Energy: 0.9594340038156243
Energy: 1.0407674834485474
Energy: 0.8493612642859842
Energy: 0.9771040823745154
Energy: 0.8493613039461816
Energy: 0.9771040823740854
Energy: 0.8493613429353735
Energy: 0.9771040823745154
Energy: 1.01858877505662
Energy: 0.9280497612615264
Energy: 1.0185887750574796
Energy: 0.9280497616159396
Energy: 1.01858877505662
Energy: 0.9280497619587486
Energy: 1.0421189815209206
Energy: 0.962185101407416
Energy: 1.0421189815204908
Energy: 0.962185101407846
Energy: 1.0421189815213505
Energy: 0.9621851014091353
Energy: 0.9584278923101621
Energy: 0.9036930094753993
Energy: 0.9584278923080132
Energy: 0.9036930094749696
Energy: 0.9584278923080132
Energy: 0.9036930094698121
Energy: 1.178980982683213
Energy: 1.0398235868121306
Energy: 1.1789809826849322
Energy: 1.0398235868147094
Energy: 1.1789809826849322
Energy: 1.0398235868121306
Energy: 1.049136277033941
Energy: 0.9582196733146678
Energy: 1.0491362770352302
Energy: 0.9583654267120749
Energy: 1.0491362770360897
Energy: 0.9582196733133785
Energy: 0.9996172356080693
Energy: 0.9743796414311873
Energy: 0.9996172356089288
Energy: 0.9397236003437773
Energy: 0.9996172356097883
Energy: 0.9743796414295075
Energy: 1.081617030033991
Energy: 1.0178629218390118
Energy: 1.081617030033991
Energy: 1.0599412499413812
Energy: 1.0816170300305525
Energy: 1.0178629218355737
Energy: 0.8921210579588151
Energy: 0.9285626949920831
Energy: 0.8921210579588151
Energy: 0.9285626667774636
Energy: 0.8921210579601043
Energy: 0.9285626309607985
Energy: 0.8808238580338592
Energy: 0.9622093621199389
Energy: 0.8808238580175275
Energy: 0.9622093621199389
Energy: 0.8808238579995159
Energy: 0.9622093621186496
Energy: 0.9340680697779317
Energy: 0.9674648217944601
Energy: 0.9340729722873394
Energy: 0.9674630042367484
Energy: 0.9340680697792209
Energy: 0.967461014624272
Energy: 0.9530392801955098
Energy: 1.0503820708780411
Energy: 0.9530392801942204
Energy: 1.0503820708758922
Energy: 0.9530392802109817
Energy: 1.0503820708758922
Energy: 0.9582600281520709
Energy: 0.981087116585906
Energy: 0.9582523304200232
Energy: 0.9810871165687146
Energy: 0.95826002815379
Energy: 0.9810871165051461
Energy: 0.9445028264753121
Energy: 0.9730537995108168
Energy: 0.9646736088183365
Energy: 0.973053661876984
Energy: 0.9444993757425716
Energy: 0.973052951325251
Energy: 0.9513753507216696
Energy: 0.867556955053101
Energy: 0.9032191781775792
Energy: 0.8675569604689677
Energy: 0.9513742919363065
Energy: 0.867556966992302
Energy: 0.9582516146117942
Energy: 1.0600484920304156
Energy: 0.9582516146096454
Energy: 1.0600484920321345
Energy: 0.9582516146109347
Energy: 1.0600484920304156
Energy: 0.9851020516940252
Energy: 0.9627505684253503
Energy: 0.9851019223220301
Energy: 0.9627505684257801
Energy: 0.9851017714658263
Energy: 0.9627505684257801
Energy: 0.9340027672748873
Energy: 1.020117680675149
Energy: 0.9340027672761765
Energy: 1.0201176806708905
Energy: 0.9340027672744574
Energy: 1.0201176806631542
Energy: 1.0554096697132926
Energy: 0.9621692051599929
Energy: 1.0554096697137223
Energy: 0.9622529869137707
Energy: 1.0554096697132926
Energy: 0.9621692051591334
Energy: 0.9769314468411916
Energy: 0.9114825997211251
Energy: 0.9769314468399023
Energy: 0.8704368681615293
Energy: 0.9769314468403321
Energy: 0.9114827935054253
Energy: 1.0838776309648843
Energy: 1.0597470414488779
Energy: 1.0838776309653142
Energy: 1.0178220571303649
Energy: 1.083877630964025
Energy: 1.0597470414488779
Energy: 0.9639129097566524
Energy: 1.0418451345824646
Energy: 0.9639129097562226
Energy: 1.0418451345846136
Energy: 0.9639129097562226
Energy: 1.0418451345833242
Energy: 0.8699784677445391
Energy: 0.9584313342775178
Energy: 0.8699784677505562
Energy: 0.9584313342762284
Energy: 0.8699784677544242
Energy: 0.9584313342783771
Energy: 1.0421041123686798
Energy: 1.180288112236432
Energy: 1.0421041123691093
Energy: 1.1802881122351425
Energy: 1.04210411236825
Energy: 1.1802881122334237
Energy: 0.9583137201397682
Energy: 1.0492871799693047
Energy: 0.958301905587967
Energy: 1.0492871799697345
Energy: 0.9583137201397682
Energy: 1.0492871799693047
Energy: 0.9742508185794774
Energy: 0.9649681412525191
Energy: 0.974250818582486
Energy: 0.9649681412830334
Energy: 0.9742508185837753
Energy: 0.9649681413160875
Energy: 1.0185164095321004
Energy: 1.052405908469963
Energy: 1.01851640953253
Energy: 1.0524059084751205
Energy: 1.0185164095329597
Energy: 1.0524059084802777
Energy: 0.9386683056325066
Energy: 0.8924987106706489
Energy: 0.9386683032581616
Energy: 0.8924987106715084
Energy: 0.938668301367125
Energy: 0.8924987106693596
Energy: 0.9594961207101352
Energy: 0.9556950394000252
Energy: 0.9594961207092758
Energy: 0.9556950393974465
Energy: 0.9594961207097055
Energy: 0.9556950393978761

minimum gb energy = 0.8493612642859842 eV
minimum distance =  2.38140787407492 Angstroms
sigma value = 51


========================================
theta = 26.525352016609688
========================================

Energy: 1.016127386952118
Energy: 1.0207749057955695
Energy: 1.0161273869511218
Energy: 1.0207749057955695
Energy: 1.016127386952118
Energy: 1.0207749057955695
Energy: 1.0776132512934744
Energy: 0.9651584419407543
Energy: 1.07761325129447
Energy: 0.9651584419397584
Energy: 1.07761325129447
Energy: 0.9651584419407543
Energy: 0.9658709984597609
Energy: 0.9991200897939723
Energy: 0.9658709984607567
Energy: 0.9991200897929764
Energy: 0.9658709984617524
Energy: 0.9991200897949681
Energy: 0.9885485629342249
Energy: 0.9049755334299827
Energy: 0.988548562933229
Energy: 0.9049755334299827
Energy: 0.988548562933229
Energy: 0.9049755334309785
Energy: 1.0223476673474137
Energy: 0.9822308594445637
Energy: 1.0223476673394474
Energy: 0.9822308594445637
Energy: 1.0223476673484093
Energy: 0.9822308594435678
Energy: 1.0214638014411355
Energy: 0.981818756937802
Energy: 1.0214638014421311
Energy: 0.981818756937802
Energy: 1.0214638014411355
Energy: 0.981818756937802
Energy: 0.9681087930491311
Energy: 0.98172345842127
Energy: 0.9681087930481351
Energy: 0.9817234584222656
Energy: 0.9681087930491311
Energy: 0.9817234584222656
Energy: 0.9405335879233013
Energy: 0.9826156171351019
Energy: 0.9405335879233013
Energy: 0.9826156171351019
Energy: 0.9405335879223056
Energy: 0.9826156171351019
Energy: 1.128232364975259
Energy: 0.9016935926362627
Energy: 1.1282323649732675
Energy: 0.9016935926362627
Energy: 1.1282323649722714
Energy: 0.9016935926362627
Energy: 0.9254062306291252
Energy: 1.1428033363981214
Energy: 0.9254062306281293
Energy: 1.1428033363991172
Energy: 0.9254062306291252
Energy: 1.1428033363971257
Energy: 1.0782750131109449
Energy: 0.9088089749593319
Energy: 1.0782750131109449
Energy: 0.9088089749593319
Energy: 1.0782750131109449
Energy: 0.9088089749593319
Energy: 1.0184482418162906
Energy: 1.0225629582575706
Energy: 1.0184482418152947
Energy: 1.022562958256575
Energy: 1.0184482418152947
Energy: 1.0225629582575706
Energy: 1.1807247966389778
Energy: 0.9657665041820425
Energy: 1.1807247966399739
Energy: 0.9657665041820425
Energy: 1.1807247966389778
Energy: 0.9657665041820425
Energy: 0.9664556130533813
Energy: 0.9571234310999677
Energy: 0.9664556130553731
Energy: 0.9571234310999677
Energy: 0.9664556130543772
Energy: 0.957123431098972
Energy: 0.9910379633783986
Energy: 1.0065141561432476
Energy: 0.9910379633783986
Energy: 1.0065141561432476
Energy: 0.9910379633783986
Energy: 1.0065141561432476
Energy: 1.0213639998380377
Energy: 0.9817921387481773
Energy: 1.0213639998390336
Energy: 0.9817921387481773
Energy: 1.0213639998390336
Energy: 0.9817921387481773
Energy: 1.0230068480290928
Energy: 1.0578988221041052
Energy: 1.0230068480290928
Energy: 1.0578988221031096
Energy: 1.023006848028097
Energy: 1.0578988221041052
Energy: 0.989053626887452
Energy: 0.9843141411317146
Energy: 0.989053626887452
Energy: 0.9843141411317146
Energy: 0.989053626887452
Energy: 0.9843141411317146

minimum gb energy = 0.9016935926362627 eV
minimum distance =  2.26686088611232 Angstroms
sigma value = 19


========================================
theta = 31.586338096527925
========================================

Energy: 0.9136241134111424
Energy: 0.9357916661284775
Energy: 0.8626725627298987
Energy: 0.9357916661290683
Energy: 0.9136241134111424
Energy: 0.9357916661284775
Energy: 1.0073397284991215
Energy: 1.013899471219766
Energy: 1.0073397284997119
Energy: 1.013899471219766
Energy: 1.0073397284991215
Energy: 1.013899471219766
Energy: 0.862882473958631
Energy: 1.010903435760931
Energy: 0.8628824739580404
Energy: 1.0109034357615219
Energy: 0.862882473958631
Energy: 1.0109034357615219
Energy: 0.980345351815134
Energy: 0.8626858994701398
Energy: 0.9803453518145435
Energy: 0.8626858994701398
Energy: 0.980345351815134
Energy: 0.8626858994689584
Energy: 0.9160309214599428
Energy: 0.8590246179232739
Energy: 0.9160309214605334
Energy: 0.8590246179232739
Energy: 0.9160309214599428
Energy: 0.8590246179238644
Energy: 0.8471852011748151
Energy: 0.859109671715886
Energy: 0.8471852011742244
Energy: 0.859109671715886
Energy: 0.8471852011748151
Energy: 0.8591096717147046
Energy: 0.905188479713256
Energy: 0.8627677802585358
Energy: 0.9051884797126653
Energy: 0.8627677802591265
Energy: 0.905188479713256
Energy: 0.8627677802585358
Energy: 0.8628818724570668
Energy: 1.0827893668387523
Energy: 0.8628773408982973
Energy: 1.0827893668387523
Energy: 0.8628818724570668
Energy: 1.0827893668393431
Energy: 0.9872769956112154
Energy: 1.041188786110591
Energy: 0.9872769956129875
Energy: 1.041188786110591
Energy: 0.9872769956123968
Energy: 1.0411887861111817
Energy: 0.8626725627304892
Energy: 0.9357916661278869
Energy: 0.8626725627298987
Energy: 0.9357916661278869
Energy: 0.8626725627304892
Energy: 0.9357916661284775
Energy: 1.0073397284985308
Energy: 1.0138994712191753
Energy: 1.0073397284997119
Energy: 1.0138994712191753
Energy: 1.0073397284991215
Energy: 1.0138994712191753
Energy: 0.862882473958631
Energy: 1.0109034357597497
Energy: 0.8628824739580404
Energy: 1.0109034357621125
Energy: 0.862882473958631
Energy: 1.0109034357615219
Energy: 0.980345351815134
Energy: 0.862698423090517
Energy: 0.9803453518145435
Energy: 0.862698423090517
Energy: 0.980345351815134
Energy: 0.862698423090517
Energy: 0.9160309214605334
Energy: 0.8590246179226831
Energy: 0.916030921461124
Energy: 0.8590246179232739
Energy: 0.9160309214605334
Energy: 0.8590246179232739
Energy: 0.8471852011754056
Energy: 0.859109671715886
Energy: 0.8471852011748151
Energy: 0.859109671715886
Energy: 0.8471852011754056
Energy: 0.8591096717152954
Energy: 0.905188479713256
Energy: 0.8627677802591265
Energy: 0.9051884797126653
Energy: 0.8627677802591265
Energy: 0.905188479713256
Energy: 0.8627677802585358
Energy: 0.8628865469163973
Energy: 1.0827893668381618
Energy: 0.8628711334272782
Energy: 1.0827893668387523
Energy: 0.8628865469163973
Energy: 1.0827893668393431
Energy: 0.9778831207208691
Energy: 1.0411887861111817
Energy: 0.9872769956135781
Energy: 1.041188786110591
Energy: 0.9778831207202786
Energy: 1.0411887861111817
Energy: 0.9136241134105517
Energy: 0.9357916661278869
Energy: 0.8626725627304892
Energy: 0.9357916661272963
Energy: 0.9136241134105517
Energy: 0.9357916661278869
Energy: 1.0073397284991215
Energy: 1.013899471219766
Energy: 1.0073397284991215
Energy: 1.0138994712191753
Energy: 1.0073397284991215
Energy: 1.0138994712191753
Energy: 0.862882473958631
Energy: 1.010903435760931
Energy: 0.8628824739580404
Energy: 1.0109034357621125
Energy: 0.862882473958631
Energy: 1.0109034357615219
Energy: 0.9803453518145435
Energy: 0.8626858994707304
Energy: 0.9803453518139529
Energy: 0.8626858994707304
Energy: 0.9803453518145435
Energy: 0.8626858994689584
Energy: 0.9160309214605334
Energy: 0.8590246179238644
Energy: 0.9160309214617148
Energy: 0.8590246179232739
Energy: 0.9160309214605334
Energy: 0.8590246179238644
Energy: 0.8471852011754056
Energy: 0.859109671715886
Energy: 0.8471852011748151
Energy: 0.859109671715886
Energy: 0.8471852011754056
Energy: 0.8591096717152954
Energy: 0.905188479713256
Energy: 0.8627677802591265
Energy: 0.905188479713256
Energy: 0.8627677802591265
Energy: 0.905188479713256
Energy: 0.8627677802585358
Energy: 0.8628818724558855
Energy: 1.0827893668381618
Energy: 0.8628773408982973
Energy: 1.0827893668393431
Energy: 0.8628818724558855
Energy: 1.0827893668387523
Energy: 0.9872769956123968
Energy: 1.041188786110591
Energy: 0.9872769956135781
Energy: 1.0411887861111817
Energy: 0.9872769956129875
Energy: 1.0411887861117723
Energy: 0.8626725627304892
Energy: 0.9357916661290683
Energy: 0.8626725627310798
Energy: 0.9357916661290683
Energy: 0.8626725627304892
Energy: 0.9357916661290683
Energy: 1.0073397284997119
Energy: 1.013899471219766
Energy: 1.0073397284997119
Energy: 1.0138994712191753
Energy: 1.0073397284991215
Energy: 1.013899471219766
Energy: 0.862882473958631
Energy: 1.0109034357603404
Energy: 0.8628824739580404
Energy: 1.0109034357621125
Energy: 0.862882473958631
Energy: 1.0109034357615219

minimum gb energy = 0.8471852011742244 eV
minimum distance =  2.28422978289731 Angstroms
sigma value = 27


========================================
theta = 38.94244126898138
========================================

Energy: 0.8232616102002603
Energy: 0.8003419432560066
Energy: 0.8232616102017072
Energy: 0.8003419432560066
Energy: 0.8232616102017072
Energy: 0.8003419432560066
Energy: 0.8702516127690323
Energy: 0.8401648131688777
Energy: 0.8702516127704791
Energy: 0.8401648137126335
Energy: 0.870251612771926
Energy: 0.8401648126540262
Energy: 0.7636869333695955
Energy: 0.9142228666058015
Energy: 0.7636869333724893
Energy: 0.9142228666058015
Energy: 0.7636869333739362
Energy: 0.9142228666043547
Energy: 0.9053863716826306
Energy: 0.7758517094014367
Energy: 0.9053863716840774
Energy: 0.7758517091714847
Energy: 0.9053863716840774
Energy: 0.7758517093045628
Energy: 0.9052335809287381
Energy: 0.7756326268943066
Energy: 0.9052335809301849
Energy: 0.7756326087544144
Energy: 0.9052335809272912
Energy: 0.7756326095874104
Energy: 0.9311594746724762
Energy: 0.9670976503812041
Energy: 0.9311594746710292
Energy: 0.9670976503812041
Energy: 0.9311594746724762
Energy: 0.9670976503812041
Energy: 0.8272834502159283
Energy: 0.8443138156152298
Energy: 0.8272834502173751
Energy: 0.8443138156152298
Energy: 0.9482324230798739
Energy: 0.8443138156152298
Energy: 0.8219999386523829
Energy: 0.8009887476363934
Energy: 0.8219999386538298
Energy: 0.8009882796943105
Energy: 0.8219999386523829
Energy: 0.8009882115471348
Energy: 0.928030866858749
Energy: 0.8277969765892852
Energy: 0.928030866858749
Energy: 0.8277969806213187
Energy: 0.9280308668601958
Energy: 0.8277969698079571
Energy: 0.8789132748610612
Energy: 0.946706141549184
Energy: 0.8789132748596142
Energy: 0.9467061415477701
Energy: 0.8789132748610612
Energy: 0.946706141549184
Energy: 0.8327902284750297
Energy: 0.7772737064902493
Energy: 0.8327902113691813
Energy: 0.7772737064888026
Energy: 0.9663730330279997
Energy: 0.7772737064902493
Energy: 0.9511530249815755
Energy: 0.886658302836397
Energy: 0.9511530249801287
Energy: 0.886658302836397
Energy: 0.9511530249830223
Energy: 0.8866583028378439

minimum gb energy = 0.7636869333695955 eV
minimum distance =  2.2730496111896 Angstroms
sigma value = 9


========================================
theta = 44.00342734889962
========================================

Energy: 0.8039827800037453
Energy: 0.7570630831757681
Energy: 0.8039827800037453
Energy: 0.7570630831761747
Energy: 0.8039827800041518
Energy: 0.7570630831757681
Energy: 0.7654234403498772
Energy: 0.7005707868505425
Energy: 0.7654234403519098
Energy: 0.8328327169429784
Energy: 0.7654234403645124
Energy: 0.7347682148737331
Energy: 0.7100797105421922
Energy: 0.7918631273947375
Energy: 0.7100797105434119
Energy: 0.7918631273922984
Energy: 0.7100797105421922
Energy: 0.7918631273902658
Energy: 0.737072829206605
Energy: 0.7020522991293435
Energy: 0.7370728292094508
Energy: 0.7020522963998864
Energy: 0.7370728292102637
Energy: 0.7020522985933862
Energy: 0.7866697925329815
Energy: 0.7480864057481978
Energy: 0.7866697925321684
Energy: 0.7480864057486043
Energy: 0.786669792532575
Energy: 0.7480864057481978
Energy: 0.7867060241903818
Energy: 0.8053611236673198
Energy: 0.7867060241895687
Energy: 0.8076808037509886
Energy: 0.7867060241903818
Energy: 0.8076808037538342
Energy: 0.7410334221625889
Energy: 0.8182198597612962
Energy: 0.7410334221658411
Energy: 0.8182198597617028
Energy: 0.7410334221625889
Energy: 0.8182198597625158
Energy: 0.6866403443235097
Energy: 0.8272264846309395
Energy: 0.6866403443231032
Energy: 0.8272264846321591
Energy: 0.6866403443226966
Energy: 0.8272264846321591
Energy: 0.8088243444669971
Energy: 0.7473892921653621
Energy: 0.8088243444674037
Energy: 0.7473892921649555
Energy: 0.80882434446781
Energy: 0.7473892921649555
Energy: 0.7814136659504157
Energy: 0.7798878571708346
Energy: 0.7814136659504157
Energy: 0.7798878571704281
Energy: 0.7814136659500092
Energy: 0.7798878571728673
Energy: 0.7374040785503699
Energy: 0.7082645951876898
Energy: 0.7374040785499634
Energy: 0.7082645951856572
Energy: 0.7374040785503699
Energy: 0.7082645951864703
Energy: 0.7416142527690848
Energy: 0.7604626893520182
Energy: 0.7416142527690848
Energy: 0.7604626893491725
Energy: 0.7416142527694912
Energy: 0.7604626893516118
Energy: 0.7663762697226971
Energy: 0.7574319776153504
Energy: 0.7663762697235103
Energy: 0.7574319776161635
Energy: 0.7663762697231037
Energy: 0.7574319776169766
Energy: 0.7985506730721431
Energy: 0.7666775966457805
Energy: 0.798550673069704
Energy: 0.7666775966449675
Energy: 0.7985506730717365
Energy: 0.7666775966441544
Energy: 0.7203861551710297
Energy: 0.7785985724082793
Energy: 0.7203861551714363
Energy: 0.7785985724090925
Energy: 0.7203861551718428
Energy: 0.7785985724070598
Energy: 0.7271352924275903
Energy: 0.7827102245720913
Energy: 0.727135291037435
Energy: 0.7827102245716847
Energy: 0.7271352915746488
Energy: 0.7827102245720913
Energy: 0.8774574497210655
Energy: 0.7021405350928205
Energy: 0.8774574497218786
Energy: 0.7021564120593213
Energy: 0.8774574497239113
Energy: 0.7021464849542285
Energy: 0.7278873518567034
Energy: 0.7381329881943627
Energy: 0.72788490053882
Energy: 0.7381329881939562
Energy: 0.7278893471418856
Energy: 0.7381329881939562
Energy: 0.6823139134981658
Energy: 0.9591108747011529
Energy: 0.6823142940323316
Energy: 0.9591108747019659
Energy: 0.6823140241050804
Energy: 0.959110874702779
Energy: 0.82961168174994
Energy: 0.7225812614436208
Energy: 0.8296116817503466
Energy: 0.7639660518721527
Energy: 0.8296116817495336
Energy: 0.6952645924648182
Energy: 0.6823234122325974
Energy: 0.9593543700556635
Energy: 0.6823234095681484
Energy: 0.9593543700552569
Energy: 0.6823234342909973
Energy: 0.9593543700548506
Energy: 0.7279185144333756
Energy: 0.73794128486376
Energy: 0.7279069626748441
Energy: 0.7379412848633534
Energy: 0.7279137081163951
Energy: 0.7379412848633534
Energy: 0.8763300464702188
Energy: 0.7020388439434273
Energy: 0.8763300464299719
Energy: 0.7022982442588
Energy: 0.876330046393421
Energy: 0.7022564039393588
Energy: 0.7273392402350566
Energy: 0.7429076640049413
Energy: 0.7273389592269941
Energy: 0.7429076640086001
Energy: 0.7273388732023426
Energy: 0.7429076640106328
Energy: 0.7204001820299845
Energy: 0.7786102027617541
Energy: 0.7204001820307975
Energy: 0.7786102027613475
Energy: 0.7204001820299845
Energy: 0.7786102027609411
Energy: 0.7985744428792866
Energy: 0.7666635421869854
Energy: 0.7985744428813194
Energy: 0.7666635421877985
Energy: 0.7985744428788802
Energy: 0.7666635421865788
Energy: 0.7651510826631157
Energy: 0.756924413087924
Energy: 0.7651510826614896
Energy: 0.7569244130891436
Energy: 0.7651510826598634
Energy: 0.756924413088737
Energy: 0.741580806582734
Energy: 0.7157094410101684
Energy: 0.741580806582734
Energy: 0.7157132078993863
Energy: 0.7415808065823275
Energy: 0.715712384680413
Energy: 0.7374259151429234
Energy: 0.7088664676758729
Energy: 0.7374259151433299
Energy: 0.7088664676774991
Energy: 0.7374259151433299
Energy: 0.7088664676787186
Energy: 0.7819846965177065
Energy: 0.7320070989274313
Energy: 0.7819846965197391
Energy: 0.7320070989282443
Energy: 0.7819846965197391
Energy: 0.7320070989258052
Energy: 0.8088235920897328
Energy: 0.7476171871707757
Energy: 0.8088235920893262
Energy: 0.7476171871703692
Energy: 0.8088235920893262
Energy: 0.7476171871707757
Energy: 0.6867750887650679
Energy: 0.8275906575976234
Energy: 0.6867750887650679
Energy: 0.8275906575996561
Energy: 0.6867750887650679
Energy: 0.8275906575996561
Energy: 0.7409269125974843
Energy: 0.818061724822433
Energy: 0.7409269125991105
Energy: 0.8180617248228396
Energy: 0.7409269126007366
Energy: 0.8180617248236525
Energy: 0.7867937218130232
Energy: 0.7273266302333807
Energy: 0.7867937218118037
Energy: 0.7273266302325677
Energy: 0.7867937218113972
Energy: 0.7273266302329742
Energy: 0.7867319688779508
Energy: 0.7476722309302952
Energy: 0.7867319688779508
Energy: 0.7476722309298887
Energy: 0.7867319688775443
Energy: 0.7476722309307018
Energy: 0.739343513585801
Energy: 0.7020095648341114
Energy: 0.739343513585801
Energy: 0.7020095566136239
Energy: 0.739343513585801
Energy: 0.7020095564144969
Energy: 0.7100059677226327
Energy: 0.7918481020459232
Energy: 0.7100059677234457
Energy: 0.7918481020459232
Energy: 0.7100059677234457
Energy: 0.791848102042671
Energy: 0.7654503268656245
Energy: 0.7592544343864933
Energy: 0.7654503271825718
Energy: 0.7592544343856802
Energy: 0.765450326876601
Energy: 0.7592544343852736
Energy: 0.8039827800045584
Energy: 0.7570630831778008
Energy: 0.8039827800053715
Energy: 0.7570630831782074
Energy: 0.8039827800049649
Energy: 0.7570630831778008
Energy: 0.7654234403397139
Energy: 0.7005707868542014
Energy: 0.7654234403364616
Energy: 0.7005707868517622
Energy: 0.7654234403372746
Energy: 0.7005707868533884
Energy: 0.7100797105409726
Energy: 0.7918631273866439
Energy: 0.7100797105413791
Energy: 0.791863127389083
Energy: 0.7100797105405661
Energy: 0.791863127389083
Energy: 0.7370728292070116
Energy: 0.702052296556734
Energy: 0.7370728292086377
Energy: 0.7020522965185569
Energy: 0.7370728292074181
Energy: 0.7020522948813408
Energy: 0.786669792531762
Energy: 0.7480864057490109
Energy: 0.786669792531762
Energy: 0.7480864057486043
Energy: 0.786669792531762
Energy: 0.7480864057486043

minimum gb energy = 0.6823139134981658 eV
minimum distance =  2.34409040022548 Angstroms
sigma value = 57


========================================
theta = 50.47880364135782
========================================

Energy: 0.6287232169756439
Energy: 0.6211797672507764
Energy: 0.3339379580378408
Energy: 0.6211797672507764
Energy: 0.6287232169756439
Energy: 0.6211797672507764
Energy: 0.7182930443657006
Energy: 0.6034685206694971
Energy: 0.7182930443657006
Energy: 0.6101755281855523
Energy: 0.7182930443657006
Energy: 0.6034685206685716
Energy: 0.6596639631156903
Energy: 0.6239117404469161
Energy: 0.6596639631156903
Energy: 0.6296551722821884
Energy: 0.6596639631166157
Energy: 0.6239117404478415
Energy: 0.6221386611923471
Energy: 0.4803529033405486
Energy: 0.6221386611923471
Energy: 0.33358653120635445
Energy: 0.6221386611923471
Energy: 0.4803529033405486
Energy: 0.43239089509630707
Energy: 0.7180878279846149
Energy: 0.43239089509630707
Energy: 0.7180878279836895
Energy: 0.43239089509630707
Energy: 0.7180878279836895
Energy: 0.33379480271254625
Energy: 0.6620236230760723
Energy: 0.3337948027116208
Energy: 0.6620236230769978
Energy: 0.3337948027106954
Energy: 0.6620236230769978
Energy: 0.33372984652015303
Energy: 0.3825353024540857
Energy: 0.3337298465183022
Energy: 0.3825353024559365
Energy: 0.3337298465192276
Energy: 0.38253530245501105
Energy: 0.717085209348884
Energy: 0.43323285074979145
Energy: 0.717085209348884
Energy: 0.43323285074979145
Energy: 0.717085209348884
Energy: 0.433232850748866
Energy: 0.62292919303301
Energy: 0.33360062581106115
Energy: 0.6229291930339355
Energy: 0.4803561532047133
Energy: 0.62292919303301
Energy: 0.33360062581106115
Energy: 0.3804018138582057
Energy: 0.7178600899623128
Energy: 0.3804018138582057
Energy: 0.7178600899623128
Energy: 0.3804018138600565
Energy: 0.7178600899613874
Energy: 0.4301358772593052
Energy: 0.6119584624887063
Energy: 0.4301358772593052
Energy: 0.6119584624887063
Energy: 0.4301358772593052
Energy: 0.611958462487781
Energy: 0.6287232169756439
Energy: 0.6211797672507764
Energy: 0.3339379580378408
Energy: 0.6211797672507764
Energy: 0.6287232169756439
Energy: 0.6211797672507764
Energy: 0.7182930443638499
Energy: 0.6034685206694971
Energy: 0.7182930443647753
Energy: 0.6101755281864778
Energy: 0.7182930443657006
Energy: 0.6034685206676461
Energy: 0.6596639631148069
Energy: 0.6239117404441398
Energy: 0.6596639631156903
Energy: 0.6296551722821884
Energy: 0.6596639631156903
Energy: 0.6239117404459907
Energy: 0.6221386611932725
Energy: 0.4803529033405486
Energy: 0.6221386611923471
Energy: 0.33358653120635445
Energy: 0.6221386611923471
Energy: 0.4803529033405486
Energy: 0.43239089509630707
Energy: 0.7180878279846149
Energy: 0.4323908950972325
Energy: 0.7180878279836895
Energy: 0.4323908950972325
Energy: 0.7180878279846149
Energy: 0.3337948027116208
Energy: 0.6620236230760723
Energy: 0.3337948027116208
Energy: 0.6620236230769978
Energy: 0.3337948027106954
Energy: 0.6620236230769978
Energy: 0.3337298465192276
Energy: 0.38253530245501105
Energy: 0.3337298465183022
Energy: 0.3825353024559365
Energy: 0.3337298465183022
Energy: 0.3825353024559365
Energy: 0.717085209348884
Energy: 0.43323285074979145
Energy: 0.7170852093479586
Energy: 0.43323285074979145
Energy: 0.717085209348884
Energy: 0.433232850748866

minimum gb energy = 0.33358653120635445 eV
minimum distance =  2.43106711271891 Angstroms
sigma value = 11


========================================
theta = 55.8767054592047
========================================

Energy: 0.6288010599892949
Energy: 0.862743691782105
Energy: 0.6288010599892949
Energy: 0.862743691782105
Energy: 0.6288010599886169
Energy: 0.862743691782783
Energy: 0.7900131513131943
Energy: 0.5780717025889633
Energy: 0.7900131513118385
Energy: 0.5780717025957423
Energy: 0.7900131513131943
Energy: 0.5780717025876075
Energy: 0.6915852650615311
Energy: 0.6789730954159503
Energy: 0.8311954462606513
Energy: 0.6789730954173062
Energy: 0.8311954462586177
Energy: 0.6789730954173062
Energy: 0.7181475786929727
Energy: 0.591152245224502
Energy: 0.7181479366317344
Energy: 0.5911522452251798
Energy: 0.7181396205353706
Energy: 0.591152245224502
Energy: 0.6004161195247315
Energy: 0.5758804808432099
Energy: 0.6004161195240536
Energy: 0.5758804808432099
Energy: 0.6004161195233757
Energy: 0.5758804808425318
Energy: 0.7397753509329921
Energy: 0.590782287159926
Energy: 0.7397753509323143
Energy: 0.5907822871606039
Energy: 0.7397753509323143
Energy: 0.5907822871606039
Energy: 0.5690680816128619
Energy: 0.6305151751111353
Energy: 0.5690680816135398
Energy: 0.6305151751097795
Energy: 0.5690680816128619
Energy: 0.6305151751111353
Energy: 0.7379735468463386
Energy: 0.5486520893872248
Energy: 0.7379735468483724
Energy: 0.5486520893879026
Energy: 0.7379735468476946
Energy: 0.5486520893872248
Energy: 0.7363825437940694
Energy: 0.5525895212859008
Energy: 0.7363825437947474
Energy: 0.5525895212859008
Energy: 0.7363825437947474
Energy: 0.5525895212859008
Energy: 0.5622773511133543
Energy: 0.6237750113811502
Energy: 0.5622773511126765
Energy: 0.623775011381828
Energy: 0.5622773511126765
Energy: 0.623775011381828
Energy: 0.7460197805938521
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Energy: 0.7460197805952079
Energy: 0.7456378727362412
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Energy: 0.600066009836736
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Energy: 0.7695896306650848
Energy: 0.861904262797778
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Energy: 0.8619042627991337
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Energy: 0.8619042627950664
Energy: 0.7892930758556072
Energy: 0.5761787986944198
Energy: 0.7892930758562852
Energy: 0.5761787986917083
Energy: 0.7892930758556072
Energy: 0.576178798693064
Energy: 0.6256427557771467
Energy: 0.7384211337467802
Energy: 0.6256427557771467
Energy: 0.7384211337480744
Energy: 0.6256427557764689
Energy: 0.7384211337480744
Energy: 0.632913228348021
Energy: 0.580994152416941
Energy: 0.6329132326811793
Energy: 0.5809956358977487
Energy: 0.6329132278974746
Energy: 0.5809948994895812
Energy: 1.0051826216212327
Energy: 0.7845693540994623
Energy: 1.0051826216225883
Energy: 0.7845693540994623
Energy: 1.0051826216232662
Energy: 0.7845693540987845
Energy: 0.7210689387030264
Energy: 0.5878797086210729
Energy: 0.7210689387003147
Energy: 0.5878797086210729
Energy: 0.7210689387003147
Energy: 0.5878797086210729
Energy: 0.5999875145991844
Energy: 0.7223414509243712
Energy: 0.5999875145971507
Energy: 0.7223414509250491
Energy: 0.5999875145964728
Energy: 0.7223414509250491
Energy: 0.5634922383981096
Energy: 0.5936175997582529
Energy: 0.5634922383994653
Energy: 0.5936175997602866
Energy: 0.5634922383994653
Energy: 0.5936175997568971
Energy: 0.6021324736878679
Energy: 0.6301496086996693
Energy: 0.60213247368719
Energy: 0.6301496086989914
Energy: 0.6021324736884842
Energy: 0.6301496086983135
Energy: 0.6123204450869799
Energy: 0.7197658667013532
Energy: 0.6123204450910471
Energy: 0.7197658667013532
Energy: 0.6123204450890135
Energy: 0.7197658667013532
Energy: 0.7353753262263734
Energy: 0.5900788592738532
Energy: 0.7353753262263734
Energy: 0.5900788592718195
Energy: 0.7353753262270514
Energy: 0.5900788592731752
Energy: 0.5636338941614838
Energy: 0.626528745672939
Energy: 0.5636338941614838
Energy: 0.6265287456749726
Energy: 0.5636338941614838
Energy: 0.6265287456736169
Energy: 0.8748283307915866
Energy: 0.745071230736993
Energy: 0.8748283307942981
Energy: 0.745071230736993
Energy: 0.8748283307922645
Energy: 0.745071230736993

minimum gb energy = 0.5486520893872248 eV
minimum distance =  2.35640788129257 Angstroms
sigma value = 41


========================================
theta = 58.99241699313286
========================================

Energy: 0.7429626550808682
Energy: 0.6549128886420701
Energy: 0.7429626550808682
Energy: 0.6549128886420701
Energy: 0.7429626550808682
Energy: 0.6549128886410015
Energy: 0.8660410755905117
Energy: 0.8565589316872277
Energy: 0.8660410755910461
Energy: 0.8565589316861593
Energy: 0.8660410755910461
Energy: 0.8565589316866934
Energy: 0.7567886691784503
Energy: 0.7622487477441547
Energy: 0.7567886691805876
Energy: 0.7622487477430862
Energy: 0.7567886691811218
Energy: 0.7622487477436204
Energy: 0.6838658349433512
Energy: 0.646896979294214
Energy: 0.6838658349433512
Energy: 0.646896979294214
Energy: 0.6838658349433512
Energy: 0.646896979294214
Energy: 0.6332139986110666
Energy: 0.6845058428216009
Energy: 0.6332139986110666
Energy: 0.6845058428226695
Energy: 0.6332139986110666
Energy: 0.6845058428216009
Energy: 0.8783930603359315
Energy: 0.666975155911199
Energy: 0.8783930603359315
Energy: 0.6669751559106647
Energy: 0.8783930603359315
Energy: 0.6669751559101305
Energy: 0.631041532056924
Energy: 0.935795720965463
Energy: 0.631041532056924
Energy: 0.935795720965463
Energy: 0.631041532056924
Energy: 0.935795720965463
Energy: 0.616621783723739
Energy: 0.647135928088339
Energy: 0.6166217837253417
Energy: 0.647135928088339
Energy: 0.6166217837248076
Energy: 0.647135928088339
Energy: 0.6415365962241143
Energy: 0.6777591352490536
Energy: 0.6415365962235801
Energy: 0.6777591352490536
Energy: 0.6415365962241143
Energy: 0.6777591352490536
Energy: 0.6769317244439019
Energy: 0.7033224849643768
Energy: 0.6769317244439019
Energy: 0.7033224849638425
Energy: 0.6769317244439019
Energy: 0.703322484964911
Energy: 0.6719368647302555
Energy: 0.7084612530219309
Energy: 0.6719368647307898
Energy: 0.7084612530229994
Energy: 0.6719368647302555
Energy: 0.7084612530219309
Energy: 0.61090489471999
Energy: 0.8574419465841887
Energy: 0.61090489471999
Energy: 0.9562130185783139
Energy: 0.6109048947210586
Energy: 0.8369652199717029
Energy: 0.6162051641150541
Energy: 0.6401572086352649
Energy: 0.6162051641193285
Energy: 0.6401572086341963
Energy: 0.6162051641171913
Energy: 0.6401572086347307
Energy: 0.5973812216425782
Energy: 0.7017241429530665
Energy: 0.5973812216425782
Energy: 0.7017241429536009
Energy: 0.5973812216425782
Energy: 0.7017241429530665
Energy: 0.67288451338635
Energy: 0.6708252266241974
Energy: 0.6728845133868845
Energy: 0.6708252266279373
Energy: 0.6728845133858159
Energy: 0.6708252266226187
Energy: 0.5955262231129687
Energy: 0.6865522119359074
Energy: 0.5955262231135028
Energy: 0.7747343910162215
Energy: 0.5955262231124342
Energy: 0.7916775838768952
Energy: 0.628615793200217
Energy: 0.640050092649881
Energy: 0.6286157932012856
Energy: 0.6400500926482781
Energy: 0.628615793200217
Energy: 0.6400500926493468
Energy: 0.6439803752461649
Energy: 0.7628068931851711
Energy: 0.6439803752461649
Energy: 0.7628068931835684
Energy: 0.6439803752461649
Energy: 0.7628068931841026
Energy: 0.697280878295704
Energy: 0.8570945458745385
Energy: 0.6972808782935669
Energy: 0.857094545875607
Energy: 0.6972808782946355
Energy: 0.857094545875607
Energy: 0.6721070577317403
Energy: 0.8587951005347172
Energy: 0.6721070577312059
Energy: 0.8321971128739877
Energy: 0.6721070577312059
Energy: 0.6436970025279763
Energy: 0.6500394359689396
Energy: 0.6984559326639181
Energy: 0.6500394359694739
Energy: 0.6984559326649867
Energy: 0.6500394359694739
Energy: 0.6984559326644524
Energy: 0.655975840562574
Energy: 0.9478636749613124
Energy: 0.6559758405631081
Energy: 0.9478636749623809
Energy: 0.655975840560971
Energy: 0.9478636749618466
Energy: 0.6868841208621731
Energy: 0.6403693205718537
Energy: 0.6868841208621731
Energy: 0.640369320572388
Energy: 0.6868841208621731
Energy: 0.6403693205718537
Energy: 0.5953595194945216
Energy: 0.9017108915936275
Energy: 0.5953595194950559
Energy: 0.8830185044114878
Energy: 0.5953595194966588
Energy: 0.8037980540670207
Energy: 0.6039752350824097
Energy: 0.9006441205936514
Energy: 0.603975235082944
Energy: 0.9006441205936514
Energy: 0.6039752350824097
Energy: 0.9006441205931411
Energy: 0.6310122922940155
Energy: 0.6354907696540744
Energy: 0.631012292293481
Energy: 0.8017981003631875
Energy: 0.6310122922940155
Energy: 0.6933613646948744
Energy: 0.6232587656141518
Energy: 0.6403543939164247
Energy: 0.6232587656141518
Energy: 0.6403543939164247
Energy: 0.6232587656146862
Energy: 0.640354393916959
Energy: 0.6375871749577078
Energy: 0.6963139411097715
Energy: 0.6375871749577078
Energy: 0.7770615666140346
Energy: 0.6375871749577078
Energy: 0.6870989509746964
Energy: 0.6715458891564222
Energy: 0.8585849138554149
Energy: 0.6715458891564222
Energy: 0.8585849138543462
Energy: 0.6715458891569566
Energy: 0.8585849138548804
Energy: 0.7442726066183681
Energy: 0.6081487111096062
Energy: 0.7442726066189023
Energy: 0.691031707469601
Energy: 0.7442726066172995
Energy: 0.66153608308394
Energy: 0.6169866846383396
Energy: 0.8410982407547966
Energy: 0.6169866846383396
Energy: 0.8410982407547966
Energy: 0.6169866846378053
Energy: 0.8410982407547966
Energy: 0.6440523844624942
Energy: 0.6675885599300431
Energy: 0.6440523844619599
Energy: 0.6675885599300431
Energy: 0.6440523844619599
Energy: 0.6675885599300431
Energy: 0.6033858360376356
Energy: 0.6585679090653341
Energy: 0.6033858360376356
Energy: 0.6585679090642655
Energy: 0.6033858360376356
Energy: 0.6585679090642655

minimum gb energy = 0.5953595194945216 eV
minimum distance =  2.38433097327834 Angstroms
sigma value = 33


========================================
theta = 62.439396894736774
========================================

Energy: 0.8053561349340034
Energy: 0.7368828099624637
Energy: 0.7561212843305917
Energy: 0.7368828099628387
Energy: 0.8053561349351285
Energy: 0.7368828099643385
Energy: 0.8496818746051202
Energy: 0.700018124939807
Energy: 0.8496818746028703
Energy: 0.7000181249401818
Energy: 0.8496818746039954
Energy: 0.7000181249413068
Energy: 0.7467842268861947
Energy: 0.77504000433801
Energy: 0.7467842268873197
Energy: 0.775040004337635
Energy: 0.7467842268858198
Energy: 0.7750400043391349
Energy: 0.7294196884025141
Energy: 0.7214625873652843
Energy: 0.7294196884028891
Energy: 0.7214625873664091
Energy: 0.7294196884032641
Energy: 0.7214625873652843
Energy: 0.7512324312969938
Energy: 0.8305677921187676
Energy: 0.7512345692908493
Energy: 0.8305677921172677
Energy: 0.7512324312969938
Energy: 0.8305677921198925
Energy: 0.9473502893640766
Energy: 0.6917486280485945
Energy: 0.9473502893629516
Energy: 0.6917486280482196
Energy: 0.9473502893652015
Energy: 0.6917486280455948
Energy: 0.7247150206239444
Energy: 0.7882894708999344
Energy: 0.7247150206220696
Energy: 0.7882894708988095
Energy: 0.7247150206239444
Energy: 0.7882894709003094
Energy: 0.7158911503747633
Energy: 0.7309978024288205
Energy: 0.7158911503743883
Energy: 0.7309978024288205
Energy: 0.7158911503743883
Energy: 0.7309978024295705
Energy: 0.857362447346822
Energy: 0.7671706333124427
Energy: 0.8574151363763439
Energy: 0.7671706333120677
Energy: 0.8573624473498218
Energy: 0.7671706333154423
Energy: 0.997683262278066
Energy: 0.7275352025305555
Energy: 0.9976832622791909
Energy: 0.7275352025309305
Energy: 0.997683262278441
Energy: 0.7275352025301807
Energy: 0.7683902193021549
Energy: 0.7134173312024563
Energy: 0.7683902193021549
Energy: 0.7134173312024563
Energy: 0.7683902193025299
Energy: 0.7134173312020813
Energy: 1.3677500343067426
Energy: 0.7218104858757081
Energy: 1.3677500343063675
Energy: 0.7218104858757081
Energy: 1.3677500343063675
Energy: 0.721810485876833
Energy: 0.7176428021650767
Energy: 0.8599556037796909
Energy: 0.7176428021654517
Energy: 0.8599556037800657
Energy: 0.7176428021647017
Energy: 0.8599556037781909
Energy: 0.7242586191426293
Energy: 0.7788093507712703
Energy: 0.7242586191422543
Energy: 0.7788093507712703
Energy: 0.7242586191426293
Energy: 0.7788093507727701
Energy: 0.71469125346788
Energy: 0.6704040783368086
Energy: 0.7146912534690049
Energy: 0.6704040783375586
Energy: 0.71469125346788
Energy: 0.6704040783383086
Energy: 0.7532312951376396
Energy: 1.0257187068534648
Energy: 0.7532312951376396
Energy: 1.0257187068538396
Energy: 0.7532312951372646
Energy: 1.0257187068515896
Energy: 1.0577048911404894
Energy: 0.7357016862251642
Energy: 1.0577048911393643
Energy: 0.7357016862251642
Energy: 1.0577048911404894
Energy: 0.7357016862270391
Energy: 0.7175067018547242
Energy: 0.7431613184217941
Energy: 0.7175975192705627
Energy: 0.7431613184225442
Energy: 0.7175067018550992
Energy: 0.743161318425169
Energy: 1.0576325174167034
Energy: 0.7377820709116628
Energy: 1.0576325174174535
Energy: 0.7377820709124127
Energy: 1.0576325174174535
Energy: 0.7377820709116628
Energy: 1.1135370658137413
Energy: 0.720173470709032
Energy: 1.1135370658137413
Energy: 0.720173470709032
Energy: 1.1135370658133663
Energy: 0.7201734707097821
Energy: 0.7413469764169777
Energy: 0.7266308829683628
Energy: 0.7413469764158527
Energy: 0.7266308829683628
Energy: 0.7413469764166026
Energy: 0.7266308829706126
Energy: 0.6955017838039307
Energy: 0.8101156951577895
Energy: 0.6955813507188738
Energy: 0.8101156951562897
Energy: 0.6955017838035557
Energy: 0.8101156951570396
Energy: 0.714768263342911
Energy: 0.6924713926401402
Energy: 0.7147682633410363
Energy: 0.6924713926390154
Energy: 0.714768263343286
Energy: 0.6924713926382654
Energy: 0.7278421360468438
Energy: 0.8241848954814907
Energy: 0.7278421360457189
Energy: 0.8241848954803656
Energy: 0.7278421360475937
Energy: 0.8241848954803656
Energy: 0.8326011447418085
Energy: 0.7349028215376175
Energy: 0.8326011447410585
Energy: 0.7349028215383675
Energy: 0.8326011447414334
Energy: 0.7349028215398674
Energy: 0.6872770469323196
Energy: 0.8693276598680058
Energy: 0.6872770469345694
Energy: 0.8693276598657558
Energy: 0.6872770469326945
Energy: 0.8693276598627562
Energy: 0.7542193678899732
Energy: 0.7276937988336287
Energy: 0.7542193678895983
Energy: 0.7276937988336287
Energy: 0.7542193678895983
Energy: 0.7276937988321289
Energy: 0.7832637740738162
Energy: 0.7324244735304365
Energy: 0.7275730987498786
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Energy: 0.7832637740741911
Energy: 0.7324244735319363
Energy: 0.7753931690994371
Energy: 0.7998135765733556
Energy: 0.7753931690964373
Energy: 0.7998135764923964
Energy: 0.7753931690986872
Energy: 0.799813576507395
Energy: 0.7232034855241408
Energy: 0.9927829973339495
Energy: 0.7232034855256406
Energy: 0.9927829973343245
Energy: 0.7232034855241408
Energy: 0.9927829973339495
Energy: 0.6869293267501392
Energy: 0.7151470210408807
Energy: 0.6869293267516391
Energy: 0.7151470210405058
Energy: 0.6869293267497643
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Energy: 0.7277935573473218
Energy: 0.8339677470140006
Energy: 0.7277630359760987
Energy: 0.8339677470173412
Energy: 0.7277935573469467
Energy: 0.8339677470248407
Energy: 1.0604587161754704
Energy: 0.6835954763132119
Energy: 1.0604587161750954
Energy: 0.683595476312837
Energy: 1.0604587161762202
Energy: 0.6835954763120871
Energy: 0.7746571432964908
Energy: 0.7186630049867835
Energy: 0.7746571432938661
Energy: 0.7186630049871585
Energy: 0.7746571432961159
Energy: 0.7186630049901582
Energy: 0.7177490916817831
Energy: 0.7185511096499771
Energy: 0.7177490916799083
Energy: 0.7185511096496021
Energy: 0.7177490916817831
Energy: 0.7185511096522269
Energy: 1.1138268515340997
Energy: 0.7401747531611317
Energy: 1.1138104089004497
Energy: 0.7401747531611317
Energy: 1.1138268515340997
Energy: 0.7401747531637565
Energy: 0.7274148600948115
Energy: 1.1008422089317726
Energy: 0.7274148600959365
Energy: 1.1008422089306478
Energy: 0.7274148600948115
Energy: 1.1008422089298977
Energy: 0.7402467914362489
Energy: 0.7146845394721834
Energy: 0.7402467914343741
Energy: 0.7146845394729333
Energy: 0.740246791435874
Energy: 0.7146845394725584
Energy: 0.7774602300736341
Energy: 1.0612026655314521
Energy: 0.7774582115423737
Energy: 1.061202665532202
Energy: 0.777460230073259
Energy: 1.0612026655310773
Energy: 0.7156935534235939
Energy: 0.8607083760423826
Energy: 0.7156935534258436
Energy: 0.8607083760427575
Energy: 0.7156935534235939
Energy: 0.8607083760412577
Energy: 0.7273483712046247
Energy: 0.7326845850520961
Energy: 0.7273483712038747
Energy: 0.7326845850528461
Energy: 0.7273483712057496
Energy: 0.7326845850509712
Energy: 0.8083255320373243
Energy: 0.6754678325861859
Energy: 0.8083255320350745
Energy: 0.675467832585436
Energy: 0.8083255320373243
Energy: 0.675467832585436
Energy: 0.7433922056891494
Energy: 1.0155408200664582
Energy: 0.7433922056906493
Energy: 1.0155408200657083
Energy: 0.7433922056895245
Energy: 1.0155408200683331
Energy: 0.7468748806126686
Energy: 0.7145388117339523
Energy: 0.7468748806107938
Energy: 0.7145388117343273
Energy: 0.7468748806119186
Energy: 0.7145388117354522
Energy: 0.7274020088861439
Energy: 0.7866904312547377
Energy: 0.7274190223413016
Energy: 0.7866904312554877
Energy: 0.7274020088857689
Energy: 0.7866904312554877
Energy: 0.7146304309502209
Energy: 0.6926672559717028
Energy: 0.7146304309509708
Energy: 0.6926672559713277
Energy: 0.7146304309505958
Energy: 0.6926672559732026
Energy: 0.6959569024350666
Energy: 0.7543098094080809
Energy: 0.6959569024361916
Energy: 0.7543098094073311
Energy: 0.6959569024350666
Energy: 0.7543098094095807

minimum gb energy = 0.6704040783368086 eV
minimum distance =  2.3786415546433 Angstroms
sigma value = 67


========================================
theta = 70.52877936550931
========================================

Energy: 0.8243283853675794
Energy: 0.7536223307254145
Energy: 0.8243283843931599
Energy: 0.7536223307258987
Energy: 0.8243283922538442
Energy: 0.7536223307258987
Energy: 0.8043248044900331
Energy: 0.7144219660917667
Energy: 0.8043248044895488
Energy: 0.7144219660912542
Energy: 0.8043248044892927
Energy: 0.7144219660917667
Energy: 0.9167880742345739
Energy: 0.8681954489342345
Energy: 0.916788061877782
Energy: 0.8681954489339783
Energy: 0.9485979074145631
Energy: 0.8681954489342345
Energy: 0.8043582193542278
Energy: 0.6936844685075979
Energy: 0.8043582193539716
Energy: 0.6936844683335142
Energy: 0.8043582193539716
Energy: 0.6936844684469975
Energy: 0.8243283884020433
Energy: 0.7536223307254145
Energy: 0.8243283838748952
Energy: 0.7536223307256424
Energy: 0.8243283882482356
Energy: 0.7536223307254145
Energy: 0.8043248044897767
Energy: 0.7144219660925071
Energy: 0.8043248044895488
Energy: 0.714421966092023
Energy: 0.8043248044892927
Energy: 0.7144219660927633
Energy: 0.6954386861148758
Energy: 0.8681954489342345
Energy: 0.695438685842601
Energy: 0.8681954489339783
Energy: 0.6954386860079138
Energy: 0.868195448934491

minimum gb energy = 0.6936844683335142 eV
minimum distance =  2.39436436794137 Angstroms
sigma value = 3


========================================
theta = 77.88488253796277
========================================

Energy: 0.9821261446854768
Energy: 0.9051472265517865
Energy: 0.9821261446844227
Energy: 0.9051472265467021
Energy: 0.9821261446837407
Energy: 0.9051472265480662
Energy: 0.880904917071702
Energy: 0.8297950552606583
Energy: 0.880904917072384
Energy: 0.8297950552610304
Energy: 0.8809049170748023
Energy: 0.8297950552620224
Energy: 0.8234172846459481
Energy: 0.9659354622856332
Energy: 0.8234172846476842
Energy: 0.9659354622869973
Energy: 0.8234172846466301
Energy: 0.9659354622876795
Energy: 0.897784816849248
Energy: 0.8447569035081189
Energy: 0.8977848168478839
Energy: 0.8447569035067549
Energy: 0.8977848168475119
Energy: 0.844756903507809
Energy: 0.8839529137583356
Energy: 0.9115977195767438
Energy: 0.8839529137569714
Energy: 0.9115977018491236
Energy: 0.8839529137565993
Energy: 0.9115971087867887
Energy: 0.8580052736236182
Energy: 0.8727996113109737
Energy: 0.8580052736226262
Energy: 0.8727996113112837
Energy: 0.8580052736236182
Energy: 0.872799611311656
Energy: 0.9041278495203358
Energy: 0.9168385322681427
Energy: 0.9041278495196537
Energy: 0.9168385322695067
Energy: 0.9041278495210179
Energy: 0.9168385322674607
Energy: 0.9853455976345106
Energy: 0.8528125677447791
Energy: 0.9853476717930693
Energy: 0.9094488326572399
Energy: 0.9853391161141316
Energy: 0.8896842310382773
Energy: 0.868946011707413
Energy: 0.891953264386506
Energy: 0.868946011707413
Energy: 0.8919540264925081
Energy: 0.868946011707413
Energy: 0.8919531160752865
Energy: 0.9027349278130792
Energy: 0.8726857837722068
Energy: 0.9027349278099789
Energy: 0.8726857837701606
Energy: 0.9027349278123972
Energy: 0.8726857837681143
Energy: 0.854649328940547
Energy: 0.9702612547913194
Energy: 0.854649328950778
Energy: 0.9702612547903273
Energy: 0.8546493289415392
Energy: 0.9702612547916913
Energy: 0.8409096412034476
Energy: 0.8825711727834971
Energy: 0.8409096412004095
Energy: 0.9113758586998187
Energy: 0.8409096412034476
Energy: 0.9006513699198294
Energy: 0.8934377560545151
Energy: 0.8494766093080302
Energy: 0.8934377560582973
Energy: 0.8494766308994962
Energy: 0.8934377560545151
Energy: 0.8494764309979537
Energy: 0.8900788711047317
Energy: 0.9169291928927938
Energy: 0.8900788711036777
Energy: 0.9169291928955221
Energy: 0.8900788711050418
Energy: 0.9169291928952121
Energy: 0.8952637424814013
Energy: 0.8458754907662279
Energy: 0.8952637424807194
Energy: 0.845875490767902
Energy: 0.8952637424797273
Energy: 0.8458754907665378
Energy: 0.8798454939449277
Energy: 0.9440286773368913
Energy: 0.8798454939456097
Energy: 0.9440286773351553
Energy: 0.8798454939452376
Energy: 0.9040276080455095
Energy: 0.9166952017361338
Energy: 0.8180445643399257
Energy: 0.9166952017316695
Energy: 0.8180445643409797
Energy: 0.9166952017361338
Energy: 0.8180445643412899
Energy: 0.8864337421205731
Energy: 1.0554170068624167
Energy: 0.8864337421171629
Energy: 1.0554170068637807
Energy: 0.8864337421208832
Energy: 1.0554170068630988
Energy: 0.8811658053389738
Energy: 0.8743218695604258
Energy: 0.8811658053338273
Energy: 0.8743216210458575
Energy: 0.8811658053553431
Energy: 0.8743200076680259
Energy: 0.8410253590818569
Energy: 0.889693926907664
Energy: 0.8410253590832211
Energy: 0.9257841281587978
Energy: 0.8410253590818569
Energy: 0.8828291634029906
Energy: 0.9057767548435479
Energy: 0.90786959322166
Energy: 0.9057766884118161
Energy: 0.9078695947815216
Energy: 0.9057763767682162
Energy: 0.9078695947729648
Energy: 0.8325399776321281
Energy: 1.0145810566479838
Energy: 0.8325399776338641
Energy: 1.0145810566445734
Energy: 0.8325399776328101
Energy: 1.0145810566534401
Energy: 0.8599815189062513
Energy: 0.8438406706974534
Energy: 0.8599815189072435
Energy: 0.8438406706974534
Energy: 0.8599815189096617
Energy: 0.8438406706967713
Energy: 0.8480647932596953
Energy: 0.8652932355005041
Energy: 0.8480647932631056
Energy: 0.8652931905037997
Energy: 0.8480647932617413
Energy: 0.8652931122419977
Energy: 0.9298881209900315
Energy: 0.8734232597914836
Energy: 0.9299116683837876
Energy: 0.8734232597979322
Energy: 0.9298870886842431
Energy: 0.873423259794894
Energy: 0.8514022082871499
Energy: 0.8837209827465933
Energy: 0.851402208288514
Energy: 0.8837209827472753
Energy: 0.851402208289568
Energy: 0.8837209827459113
Energy: 0.885467032241223
Energy: 0.8665993326380644
Energy: 0.8854670322429592
Energy: 0.8665993326373823
Energy: 0.8854670322402309
Energy: 0.8665993326387463
Energy: 0.8698709812602415
Energy: 0.8097411619142272
Energy: 0.8698709812588775
Energy: 0.8496725282297084
Energy: 0.8698709812612337
Energy: 0.8107461871413701
Energy: 0.8739886576969491
Energy: 0.8180369990280999
Energy: 0.8740122338412764
Energy: 0.8180369990294641
Energy: 0.8740095778011363
Energy: 0.8180369990298361
Energy: 0.925593282943574
Energy: 0.8548734323878048
Energy: 0.9255932829394818
Energy: 0.8548734323887969
Energy: 0.9255932829394818
Energy: 0.8548734323871227
Energy: 0.8950514536682235
Energy: 0.843240377517207
Energy: 0.8950514536334387
Energy: 0.8432403775216714
Energy: 0.8950514536293465
Energy: 0.8432403775206173
Energy: 0.8963822126093365
Energy: 0.8167616928572287
Energy: 0.8963822126096465
Energy: 0.8167616928558645
Energy: 0.8963822126076003
Energy: 0.8167616928575386
Energy: 0.8969054028732117
Energy: 0.8293192714268415
Energy: 0.8969054028756298
Energy: 0.8293351716960015
Energy: 0.8969054028729017
Energy: 0.8293428528355848
Energy: 0.9624816385448081
Energy: 0.8947530559646244
Energy: 0.9624816385482184
Energy: 0.8947530559632603
Energy: 0.9624816385458002
Energy: 0.8947530559649345
Energy: 0.8597417325289992
Energy: 0.859341590897387
Energy: 0.8597417325269531
Energy: 0.8593415908960228
Energy: 0.859741732527635
Energy: 0.8593415908953408
Energy: 0.9116240795499319
Energy: 0.8730859791915396
Energy: 0.911624079551978
Energy: 0.8730859791919116
Energy: 0.911624079550924
Energy: 0.8730859791898654
Energy: 0.8302277929526108
Energy: 0.913759968141595
Energy: 0.8302297874238089
Energy: 0.913759968141967
Energy: 0.8302275659497081
Energy: 0.913759968142649
Energy: 1.0696920969745602
Energy: 0.8726585275972645
Energy: 1.0696920969752421
Energy: 0.8726585275979465
Energy: 1.0696920969756143
Energy: 0.8726585275979465
Energy: 0.808964792725854
Energy: 0.9066020119288698
Energy: 0.8089647927248619
Energy: 0.9066020119299238
Energy: 0.808964792725544
Energy: 0.9066020119299238
Energy: 0.9307833336177913
Energy: 0.8731793697483881
Energy: 0.9307710705883104
Energy: 0.87317936974938
Energy: 0.875215226650003
Energy: 0.8731793697504343
Energy: 0.8418030726473916
Energy: 0.8262844699600517
Energy: 0.8418030726470817
Energy: 0.8274127892241617
Energy: 0.8418030726470817
Energy: 0.8275587575447475
Energy: 1.0489254736563938
Energy: 0.8160688432750307
Energy: 1.0489254736516196
Energy: 0.8160688432746587
Energy: 1.0489254736532938
Energy: 0.8160688432743486
Energy: 0.8211171831735937
Energy: 1.1140696814240876
Energy: 0.8211171831735937
Energy: 1.1140696816200855
Energy: 0.8211171831732219
Energy: 1.1140696815164752
Energy: 0.9173792342690675
Energy: 0.8167398435586398
Energy: 0.917379234263239
Energy: 0.816739843560004
Energy: 0.9173792342295082
Energy: 0.816739843560004
Energy: 0.8802409723895059
Energy: 0.9224963245592683
Energy: 0.88024097239056
Energy: 0.922496324273301
Energy: 0.8802409723895059
Energy: 0.922496323562537
Energy: 0.9400723283674401
Energy: 0.823558426908995
Energy: 0.9400723283704783
Energy: 0.823558426908995
Energy: 0.9400723283998067
Energy: 0.823558426908995
Energy: 0.8555834458655145
Energy: 1.000321602318175
Energy: 0.8555834458630964
Energy: 1.0003216023184849
Energy: 0.8555834458644604
Energy: 1.000321602318175
Energy: 0.9109188686744225
Energy: 0.8272435254066403
Energy: 0.9109188686757865
Energy: 0.8272435269872735
Energy: 0.9109188686754146
Energy: 0.8272435278506941
Energy: 0.8417666766029236
Energy: 0.9117264740065131
Energy: 0.8417666766032337
Energy: 0.9117264739911978
Energy: 0.8417666766036057
Energy: 0.9117264739339052
Energy: 0.8819772184533211
Energy: 0.8603357055016183
Energy: 0.8819772184526391
Energy: 0.8603357055029824
Energy: 0.8819772184540031
Energy: 0.8603357055040365
Energy: 0.8721600246031047
Energy: 0.8900051771327652
Energy: 0.8721600246024226
Energy: 0.8900051771330751
Energy: 0.8721600246014306
Energy: 0.8900051771337573

minimum gb energy = 0.8089647927248619 eV
minimum distance =  2.30701553250576 Angstroms
sigma value = 81


========================================
theta = 80.63108442154517
========================================

Energy: 0.9717740916234804
Energy: 0.90467112946723
Energy: 0.906745059180095
Energy: 0.9046711294648898
Energy: 0.9717740916230124
Energy: 0.9046711294658258
Energy: 0.9593670379931097
Energy: 0.9335049745462345
Energy: 0.959367037994514
Energy: 0.9335049745471706
Energy: 0.959367037994514
Energy: 0.9335049745476388
Energy: 0.9636992803641997
Energy: 0.7868631589611434
Energy: 0.9637063571648796
Energy: 0.7868631589592713
Energy: 0.963699280366072
Energy: 0.7868631589620796
Energy: 0.8471912731375312
Energy: 0.9219807282134823
Energy: 0.8471912731370631
Energy: 0.9219807282158226
Energy: 0.8471912731370631
Energy: 0.9219807282148863
Energy: 0.9889541991309124
Energy: 0.9177091509040223
Energy: 0.9889541991313804
Energy: 0.9177091509058946
Energy: 0.9889541991318485
Energy: 0.9177091509049585
Energy: 0.8705079238939163
Energy: 0.8483535154613359
Energy: 0.8705079238934483
Energy: 0.8483535154613359
Energy: 0.8705079238934483
Energy: 0.8483535154613359
Energy: 0.8154213563647957
Energy: 0.8534408109172427
Energy: 0.8154233535405783
Energy: 0.8534408109172427
Energy: 0.8154213563647957
Energy: 0.8534408109177106
Energy: 0.9773876262882144
Energy: 0.9979952542436207
Energy: 0.9773939321422958
Energy: 0.9979952542450249
Energy: 0.9773876262858743
Energy: 0.9979952542431527
Energy: 0.9789824047044304
Energy: 0.9152468751845536
Energy: 0.9789824046679646
Energy: 0.9152468750989419
Energy: 0.978982404341857
Energy: 0.9152468748098107
Energy: 0.9456302929721855
Energy: 1.1040311324928185
Energy: 0.9456302929731217
Energy: 1.1040310335353654
Energy: 0.9456302929735897
Energy: 1.1040311102442701
Energy: 0.8981829660172842
Energy: 0.8668040666662403
Energy: 0.8981829660172842
Energy: 0.8668040666657721
Energy: 0.8981829660182203
Energy: 0.8668040666657721
Energy: 0.7823510772577945
Energy: 0.865451077739992
Energy: 0.7823510772573264
Energy: 0.865451077739992
Energy: 0.7823510772568583
Energy: 0.8654510777404599
Energy: 0.9643753748188536
Energy: 1.0118605077344596
Energy: 0.9643753748197899
Energy: 1.0118605077330556
Energy: 0.9643753748193218
Energy: 1.0118605077325875
Energy: 0.9154838664409765
Energy: 0.7823679639189657
Energy: 0.9154838664405085
Energy: 0.7823679639184976
Energy: 0.9154838664405085
Energy: 0.7823679639180297
Energy: 0.9078247091158506
Energy: 0.8621132462565106
Energy: 0.9078247091149146
Energy: 0.8621132462569785
Energy: 0.9078247091149146
Energy: 0.8621132462574466
Energy: 0.9772234730319418
Energy: 0.9133991743963003
Energy: 0.9772234730305376
Energy: 0.9133991743939598
Energy: 0.9772234730310055
Energy: 0.9133991743934917
Energy: 0.9249083658352716
Energy: 0.8487271361552744
Energy: 0.9249083653664918
Energy: 0.8487271361585509
Energy: 0.9249083638202464
Energy: 0.8487271361580828
Energy: 0.844549154352671
Energy: 0.9791233276687501
Energy: 0.8443086330357362
Energy: 0.979123327669218
Energy: 0.8445491543512668
Energy: 0.979123327669686
Energy: 0.7841798378146435
Energy: 0.8679900733204692
Energy: 0.7841798378151115
Energy: 0.867990073320001
Energy: 0.7841798378127712
Energy: 0.8679900733209372
Energy: 0.9221919886778969
Energy: 0.9957510076903856
Energy: 0.922191988676961
Energy: 0.9957510076917898
Energy: 0.9221919886783649
Energy: 0.9957510076903856
Energy: 0.9170525692710456
Energy: 0.9776272307384932
Energy: 0.9170525692724498
Energy: 0.9776272307375569
Energy: 0.9170525692729179
Energy: 0.9776272307384932
Energy: 0.9023844617077815
Energy: 0.8673536616091446
Energy: 0.8358075802135448
Energy: 0.867353661611485
Energy: 0.9023844617073133
Energy: 0.867353661611485
Energy: 0.9006560139384261
Energy: 0.7557480062319321
Energy: 0.8349692358618658
Energy: 0.7557480062319321
Energy: 0.90065601393749
Energy: 0.7557480062319321
Energy: 0.9706666264105741
Energy: 0.9796258103266754
Energy: 0.9706666264105741
Energy: 0.9796258103252712
Energy: 0.9706666264115102
Energy: 0.9796258103257394
Energy: 0.9186474104837445
Energy: 0.8567338485660471
Energy: 0.9186474104814042
Energy: 0.8541553203668479
Energy: 0.9186474104846805
Energy: 0.8541834153510293
Energy: 0.9045767563334195
Energy: 1.0134360758482446
Energy: 0.9045767563254625
Energy: 1.0134360758477765
Energy: 0.9045767563432487
Energy: 1.0134360758459044
Energy: 0.8439486542875668
Energy: 0.8500591895594541
Energy: 0.843948654288503
Energy: 0.8500591895580499
Energy: 0.8439486542875668
Energy: 0.850059189558518
Energy: 0.9264504697728296
Energy: 0.8486294451564278
Energy: 0.9289673037514493
Energy: 0.8486294451559596
Energy: 0.9264504697723617
Energy: 0.8486294451559596
Energy: 0.9401075800114673
Energy: 0.9599475435011082
Energy: 0.9402688760422793
Energy: 0.9599475435006402
Energy: 0.9401075800100631
Energy: 0.959947543499236
Energy: 0.7825302079513297
Energy: 0.8402725676474888
Energy: 0.7825302079503935
Energy: 0.840272567647957
Energy: 0.7825302079503935
Energy: 0.8402725676474888
Energy: 0.9309705876466058
Energy: 0.9060897399606753
Energy: 0.9309705876452016
Energy: 0.9060897399602073
Energy: 0.9309705876447336
Energy: 0.906089739958335
Energy: 0.9156505679452648
Energy: 0.9828019444091923
Energy: 0.9156505679438607
Energy: 0.9828019444115327
Energy: 0.9156505679438607
Energy: 0.9828019444115327
Energy: 0.7822214679116338
Energy: 0.8318232746852887
Energy: 0.7822214679106977
Energy: 0.831642448844992
Energy: 0.7822214679125697
Energy: 0.831614330274217
Energy: 0.7838545630074364
Energy: 0.7669915210494598
Energy: 0.7838545630079043
Energy: 0.7669915210508639
Energy: 0.7838545630069683
Energy: 0.7669915210518
Energy: 0.9218620606362378
Energy: 1.0582717877136074
Energy: 0.9280916859965213
Energy: 1.0582717877145436
Energy: 0.9218620606254726
Energy: 1.0582717877136074
Energy: 0.9769872226263493
Energy: 0.9223436595519777
Energy: 0.97698722184878
Energy: 0.9223436595524456
Energy: 0.9769872189102371
Energy: 0.9223436595510414
Energy: 0.9401854799167522
Energy: 0.9129727700802807
Energy: 0.9401854799172202
Energy: 0.9129727700784086
Energy: 0.9401854799176881
Energy: 0.9129727700784086
Energy: 0.8666160688326007
Energy: 0.8552257706756472
Energy: 0.8666160688316646
Energy: 0.8552257706751791
Energy: 0.8666160688316646
Energy: 0.8552257706751791

minimum gb energy = 0.7557480062319321 eV
minimum distance =  2.39802690306637 Angstroms
sigma value = 43


========================================
theta = 82.945868617881
========================================

Energy: 1.0126299377704606
Energy: 0.9110294410069933
Energy: 1.0126299377716106
Energy: 0.9110294410081432
Energy: 1.0126299377710355
Energy: 0.9110294410069933
Energy: 0.8962402031225039
Energy: 0.8050435889140182
Energy: 0.8962402031242287
Energy: 0.8050435889134431
Energy: 0.8962402031236538
Energy: 0.8050435889128682
Energy: 0.8694353407144406
Energy: 1.0169477559545177
Energy: 0.8694353407144406
Energy: 1.0169477559550928
Energy: 0.9255310359469646
Energy: 1.0169477559550928
Energy: 0.8294754601699259
Energy: 0.8442535442812573
Energy: 0.8294754601641767
Energy: 0.844253544269759
Energy: 0.8294754601883235
Energy: 0.8442535442381383
Energy: 0.8969409346133862
Energy: 0.8034225837576401
Energy: 0.8969409345265988
Energy: 0.803728871672499
Energy: 0.8969409345283237
Energy: 0.8035067854230192
Energy: 0.8649888778538806
Energy: 0.8716908671591891
Energy: 0.8649889168094842
Energy: 0.8716908671597642
Energy: 0.8649889698042194
Energy: 0.8716908671603391
Energy: 0.8652510226235982
Energy: 0.9640058475492247
Energy: 0.8652510226247481
Energy: 0.9640058475492247
Energy: 0.8652510226241731
Energy: 0.9640058475492247
Energy: 0.8475307598451396
Energy: 0.8838557288891244
Energy: 0.8475307598457146
Energy: 0.8838557281420376
Energy: 0.8475307598445647
Energy: 0.8838557267444512
Energy: 0.980218700101043
Energy: 0.8061466380589958
Energy: 0.8978246958510471
Energy: 0.806178510585779
Energy: 0.8978776912414415
Energy: 0.8061467174126072
Energy: 0.8216841285549179
Energy: 0.8737755550083577
Energy: 0.8214878719047309
Energy: 0.8737755550089326
Energy: 0.8216997769705111
Energy: 0.8737755550089326
Energy: 0.9209638747067077
Energy: 0.8238756362974317
Energy: 0.9209638747067077
Energy: 0.8238756362968566
Energy: 0.9209638747072828
Energy: 0.8238756362980065
Energy: 0.847497398933153
Energy: 0.8350975281916779
Energy: 0.8474973989325781
Energy: 0.8357385319611312
Energy: 0.847497398933153
Energy: 0.8359215651709345
Energy: 0.9411617133687251
Energy: 0.871695805191889
Energy: 0.9411617133675754
Energy: 0.871695805191889
Energy: 0.9411617133681502
Energy: 0.871695805191889
Energy: 0.7784303387722298
Energy: 0.9616173402910155
Energy: 0.7784303387710799
Energy: 0.9616173402910155
Energy: 0.7784303387716549
Energy: 0.9616173402910155
Energy: 0.8320478909051686
Energy: 0.9761581582792591
Energy: 0.8320478909051686
Energy: 0.9753530130532093
Energy: 0.8320478909045937
Energy: 0.9761611022090773
Energy: 0.8768689047009316
Energy: 0.9070941322058559
Energy: 0.8768689048537827
Energy: 0.9070941324178982
Energy: 0.876868904858382
Energy: 0.9070941337327477
Energy: 0.9126341605220035
Energy: 0.8059035431105239
Energy: 0.9126341605208537
Energy: 0.8059035431093738
Energy: 0.9126341605214287
Energy: 0.805903543109949
Energy: 0.9752524018471105
Energy: 0.8480623979156272
Energy: 0.9752524018476854
Energy: 0.8480623979150523
Energy: 0.9752524018471105
Energy: 0.8480623979156272
Energy: 0.9618968906240815
Energy: 0.8588007959185548
Energy: 0.9618968906246563
Energy: 0.8588007959174049
Energy: 0.9618968906246563
Energy: 0.8588007959197046
Energy: 0.976669080742912
Energy: 0.8063944477359685
Energy: 0.9766690807434869
Energy: 0.8063944477353934
Energy: 0.9766690807440618
Energy: 0.8063944477365433
Energy: 0.8760328573263235
Energy: 0.8678413300977411
Energy: 0.8760328573245987
Energy: 0.867848720621325
Energy: 0.8760328573240238
Energy: 0.8678394887042735
Energy: 0.9651288662534842
Energy: 0.8916933635396376
Energy: 0.9651288662540592
Energy: 0.8916933635396376
Energy: 0.9651288662540592
Energy: 0.8916933635402124
Energy: 0.7787343380052976
Energy: 0.9065500436067189
Energy: 0.7787343380058724
Energy: 0.9065500436067189
Energy: 0.7787343380041477
Energy: 0.906550043607294
Energy: 0.9375368093085183
Energy: 0.8722459021640556
Energy: 0.9375368093085183
Energy: 0.8722459021634806
Energy: 0.9375368093079693
Energy: 0.8722459021640556
Energy: 0.8474573342782475
Energy: 0.8413550838322255
Energy: 0.8474573342776727
Energy: 0.8413572145612755
Energy: 0.8474573342788226
Energy: 0.8413568831961572
Energy: 0.9664557193382107
Energy: 0.8547927812447939
Energy: 0.9664557193382107
Energy: 0.8547927812459436
Energy: 0.9664557193382107
Energy: 0.8547927812447939
Energy: 0.8653847320068374
Energy: 0.941513750804061
Energy: 0.8653849043520786
Energy: 0.9415137508052109
Energy: 0.8654127908798376
Energy: 0.9415137508057858
Energy: 0.9131571061347156
Energy: 0.8087908372171885
Energy: 0.8410605882756013
Energy: 0.8089871862555968
Energy: 0.8412603030967584
Energy: 0.8087928141823106
Energy: 0.8473653013809067
Energy: 0.8836514699805824
Energy: 0.847365301379757
Energy: 0.8836514697518676
Energy: 0.8473653013791819
Energy: 0.883651468937567
Energy: 0.882072476702533
Energy: 0.8993318746956062
Energy: 0.8820724767031078
Energy: 0.8993318746956062
Energy: 0.8820724767031078
Energy: 0.8993318746950313
Energy: 0.8831867268556649
Energy: 0.871802142621062
Energy: 0.8831778245418005
Energy: 0.871802142621062
Energy: 0.8831884020321299
Energy: 0.871802142621062

minimum gb energy = 0.7784303387710799 eV
minimum distance =  2.3585525645157 Angstroms
sigma value = 57


========================================
theta = 86.6277133165661
========================================

Energy: 0.9454907332290127
Energy: 0.8093471332133145
Energy: 0.9454907332282683
Energy: 0.8093471332140589
Energy: 0.945490733227524
Energy: 0.8093471332133145
Energy: 0.8602431658330224
Energy: 0.7695206369555729
Energy: 0.8602431658330224
Energy: 0.7695206369414292
Energy: 0.8602431658330224
Energy: 0.769520636939196
Energy: 0.8529329318452843
Energy: 0.954673918154486
Energy: 0.852937783194251
Energy: 0.9546739181537416
Energy: 0.8529354467295568
Energy: 0.9546739181537416
Energy: 1.0401115324683305
Energy: 0.8769693702560872
Energy: 1.0401115324735413
Energy: 0.8769693695834517
Energy: 1.0401115324690748
Energy: 0.8769693679055681
Energy: 0.8128202429975215
Energy: 0.9418872122449006
Energy: 0.8128191612483013
Energy: 0.9418872122434118
Energy: 0.8128204801132153
Energy: 0.9418872122449006
Energy: 0.8365387428537129
Energy: 0.8377016948556559
Energy: 0.8366965290386014
Energy: 0.837701711865155
Energy: 0.836693553772316
Energy: 0.8377019349283198
Energy: 0.8523333385263044
Energy: 0.9365775211376843
Energy: 0.8523333385263044
Energy: 0.9365775211384287
Energy: 0.8523333385270488
Energy: 0.9365775211361957
Energy: 0.8788098463975197
Energy: 0.8125816512437805
Energy: 0.8788098464287846
Energy: 0.8125816512445247
Energy: 0.8788098463990085
Energy: 0.8125816512437805
Energy: 0.8886868113650624
Energy: 0.7704334749022074
Energy: 0.8886868113665514
Energy: 0.7704334749036963
Energy: 0.8886868113650624
Energy: 0.7704334749022074
Energy: 0.7318998386580355
Energy: 0.8370169080502472
Energy: 0.7319051858380785
Energy: 0.8370124115463178
Energy: 0.7319024228139152
Energy: 0.8370161762292511
Energy: 0.8521764629540568
Energy: 0.9002352222777092
Energy: 0.8521764629548011
Energy: 0.9002352222784538
Energy: 0.8521764629540568
Energy: 0.900235222279198
Energy: 0.8251121636402255
Energy: 0.7762325630079764
Energy: 0.8251121832837259
Energy: 0.776419992029055
Energy: 0.8251121304233551
Energy: 0.7767351749328453
Energy: 0.7319713013220029
Energy: 0.7705742925364218
Energy: 0.7320866750345478
Energy: 0.770574292534933
Energy: 0.7326688459134869
Energy: 0.7705742925334443
Energy: 0.858283894452336
Energy: 0.7983796130800701
Energy: 0.8582838944515916
Energy: 0.7983796130808145
Energy: 0.858283894452336
Energy: 0.7983796130815589
Energy: 0.8275346630102257
Energy: 0.7704236371380295
Energy: 0.8275346630102257
Energy: 0.7704333745335518
Energy: 0.8275346630094813
Energy: 0.7704210815634224
Energy: 0.8884353834157243
Energy: 0.8335651373842945
Energy: 0.8884353834149799
Energy: 0.8335651373835501
Energy: 0.8884353834157243
Energy: 0.8335651373842945
Energy: 0.7377182505476275
Energy: 0.859260046742744
Energy: 0.7377182505468831
Energy: 0.8592600467434884
Energy: 0.7377182505476275
Energy: 0.859260046742744
Energy: 0.8499494183266445
Energy: 0.8570431427746823
Energy: 0.8499494183266445
Energy: 0.8570431423394098
Energy: 0.8499494183273889
Energy: 0.8570431441534514
Energy: 0.7379129144285809
Energy: 0.8593101096511765
Energy: 0.7379129144293253
Energy: 0.8593101096519209
Energy: 0.7379129144285809
Energy: 0.8593101096504321
Energy: 0.8884407649793534
Energy: 0.8333858631388695
Energy: 0.8884407649771204
Energy: 0.833385863138125
Energy: 0.888440764976376
Energy: 0.833385863138125
Energy: 0.827252567114977
Energy: 0.7702460346240351
Energy: 0.827252567114977
Energy: 0.7702480899894634
Energy: 0.8272525671142326
Energy: 0.7704400143172688
Energy: 0.9261958916818098
Energy: 0.7905349057371218
Energy: 0.9261958916825542
Energy: 0.7905349057371218
Energy: 0.9261958916810653
Energy: 0.7905349057371218
Energy: 0.7317794305458476
Energy: 0.7704465784184141
Energy: 0.7322522380748562
Energy: 0.7704465784184141
Energy: 0.7321674083554688
Energy: 0.7704465784184141
Energy: 0.8253837956338217
Energy: 0.776018551195793
Energy: 0.825404353795429
Energy: 0.7762241917289355
Energy: 0.8253950687570899
Energy: 0.7761715176815838

minimum gb energy = 0.7317794305458476 eV
minimum distance =  2.4015056701503 Angstroms
sigma value = 17


========================================
theta = 93.3722866834339
========================================

Energy: 0.8888549526391467
Energy: 0.7982873045702295
Energy: 0.8888549526391467
Energy: 0.7982873045702295
Energy: 0.8888549526391467
Energy: 0.798287304571282
Energy: 0.7651745814223052
Energy: 0.7657170624886277
Energy: 0.7651745814223052
Energy: 0.7657170624886277
Energy: 0.7651745814223052
Energy: 0.765717062487575
Energy: 0.7992786903535991
Energy: 0.9171320474926428
Energy: 0.7992786903535991
Energy: 0.9171320474926428
Energy: 0.7992786903535991
Energy: 0.9171320474915902
Energy: 0.7210617907001141
Energy: 0.8965553194803847
Energy: 0.7210617907001141
Energy: 0.8965553194803847
Energy: 0.7210617907001141
Energy: 0.8965553194803847
Energy: 0.8274000524739816
Energy: 0.8632464153091055
Energy: 0.8274000524729288
Energy: 0.8632464153091055
Energy: 0.8274000524729288
Energy: 0.8632464153080527
Energy: 0.8194450291245111
Energy: 0.8621400685012576
Energy: 0.8194450291245111
Energy: 0.8621400685012576
Energy: 0.8194450291245111
Energy: 0.8621400685012576
Energy: 0.8542969990564993
Energy: 0.7686793784803359
Energy: 0.8542969990564993
Energy: 0.7686793784803359
Energy: 0.8542969990564993
Energy: 0.7686793784803359
Energy: 0.7209553411267338
Energy: 0.850980061693576
Energy: 0.7209553411267338
Energy: 0.8509800360885371
Energy: 0.7209553411267338
Energy: 0.8509799692321184
Energy: 0.8533694985216271
Energy: 0.7662911243536891
Energy: 0.8533694985216271
Energy: 0.7662911243536891
Energy: 0.8533694985226797
Energy: 0.7662911243536891
Energy: 0.8239679613563691
Energy: 0.769674990971386
Energy: 0.823967961357422
Energy: 0.769674990971386
Energy: 0.823967961357422
Energy: 0.769674990971386
Energy: 0.8123310090467502
Energy: 0.7964501011969769
Energy: 0.8123310090467502
Energy: 0.7964501011969769
Energy: 0.8123310090467502
Energy: 0.7964501011969769
Energy: 0.795304360996221
Energy: 0.7752338183140649
Energy: 0.7953043583455306
Energy: 0.7752338183140649
Energy: 0.7953043502598319
Energy: 0.7752338183151176
Energy: 0.7169260507631997
Energy: 0.8630045650111741
Energy: 0.7169260507621469
Energy: 0.8630045650111741
Energy: 0.7169260507631997
Energy: 0.8630045650111741
Energy: 0.8238849665360692
Energy: 0.791142627244197
Energy: 0.8238849665360692
Energy: 0.791142627244197
Energy: 0.8238849665360692
Energy: 0.791142627244197
Energy: 0.8193831281508502
Energy: 0.8185900407522222
Energy: 0.8193831281519028
Energy: 0.8185900407522222
Energy: 0.8193831281497973
Energy: 0.8185900407522222
Energy: 0.8195373810891142
Energy: 0.8591216036775168
Energy: 0.8195373810880615
Energy: 0.8591216036775168
Energy: 0.8195373810891142
Energy: 0.8591216036775168
Energy: 0.8227106943944232
Energy: 0.7912413887907447
Energy: 0.8227106943933704
Energy: 0.7912413887928501
Energy: 0.8227106943944232
Energy: 0.7912413887886393

minimum gb energy = 0.7169260507621469 eV
minimum distance =  2.33025746273139 Angstroms
sigma value = 17


========================================
theta = 97.054131382119
========================================

Energy: 0.7953547395704633
Energy: 0.7124615252030844
Energy: 0.7953547395806266
Energy: 0.7124615252030844
Energy: 0.7953547395822528
Energy: 0.7124615252030844
Energy: 0.72413605630352
Energy: 0.6881403847405829
Energy: 0.72413605630352
Energy: 0.6881403847401764
Energy: 0.72413605630352
Energy: 0.6881403847397699
Energy: 0.7354109295028644
Energy: 0.7525242299091015
Energy: 0.7354109298206248
Energy: 0.7525242299086949
Energy: 0.7354109295300651
Energy: 0.7525242299086949
Energy: 0.6693019786641692
Energy: 0.7533446790671131
Energy: 0.6693019786657953
Energy: 0.7533446790679261
Energy: 0.6693019786653888
Energy: 0.7533446790679261
Energy: 0.7194822866089525
Energy: 0.6889314269134679
Energy: 0.7194822866061069
Energy: 0.6889314269138743
Energy: 0.7194822866057003
Energy: 0.6889314269122483
Energy: 0.7224227101708492
Energy: 0.6989227219193683
Energy: 0.7224227115955228
Energy: 0.6989227219197748
Energy: 0.7224227493082211
Energy: 0.6989227219197748
Energy: 0.7257927678932775
Energy: 0.7297673792271415
Energy: 0.7257927678932775
Energy: 0.7297673792263285
Energy: 0.7257927678932775
Energy: 0.7297673792267351
Energy: 0.7441514139910483
Energy: 0.7481181669679194
Energy: 0.7441514139922679
Energy: 0.748118166967513
Energy: 0.7441514139926745
Energy: 0.748118166968326
Energy: 0.7481534692645967
Energy: 0.7693043807518755
Energy: 0.7481534692641901
Energy: 0.7693043807522819
Energy: 0.7481534692637837
Energy: 0.7693043807522819
Energy: 0.7251772831532102
Energy: 0.6522037208182478
Energy: 0.725177283152397
Energy: 0.6522037208182478
Energy: 0.7251772831532102
Energy: 0.6522037208182478
Energy: 0.6687898240345755
Energy: 0.8733523724894822
Energy: 0.6687898240337624
Energy: 0.8733523724898887
Energy: 0.6687898240353886
Energy: 0.8733523724898887
Energy: 0.7910387923811829
Energy: 0.712445847979821
Energy: 0.7910387923811829
Energy: 0.712445847979821
Energy: 0.7910387923803699
Energy: 0.7124458479794145
Energy: 0.7425690338146457
Energy: 0.7099467220022528
Energy: 0.7425690338150522
Energy: 0.7099467220018463
Energy: 0.7425690338146457
Energy: 0.7099467220018463
Energy: 0.7318803844149375
Energy: 0.7224391911886822
Energy: 0.731880384415344
Energy: 0.7224391911882755
Energy: 0.731880384415344
Energy: 0.7224391911886822
Energy: 0.7674160045930588
Energy: 0.7136114903255693
Energy: 0.7674160045930588
Energy: 0.7136114903247562
Energy: 0.7674160045934655
Energy: 0.7136114903251627
Energy: 0.6683842412719585
Energy: 0.7758751629690287
Energy: 0.6683842412711454
Energy: 0.7758751629686221
Energy: 0.6683842412715519
Energy: 0.754267393456777
Energy: 0.7427163652619425
Energy: 0.7531046399878659
Energy: 0.7427163652619425
Energy: 0.7531046399874595
Energy: 0.7427163652615361
Energy: 0.7531046399878659
Energy: 0.7624457036499077
Energy: 0.7524023478562324
Energy: 0.7624457036519404
Energy: 0.7524023478566388
Energy: 0.762445703652347
Energy: 0.7524023478562324
Energy: 0.7433155679810215
Energy: 0.7520250598759879
Energy: 0.7433155679806149
Energy: 0.752025059877614
Energy: 0.7433155679806149
Energy: 0.7520250598772075
Energy: 0.7417529593612656
Energy: 0.7380738579243219
Energy: 0.7417529593628918
Energy: 0.7522741840651475
Energy: 0.7417529593616722
Energy: 0.727669081426284
Energy: 0.7435076750618826
Energy: 0.7519280196547002
Energy: 0.7435076750622892
Energy: 0.7519280196571394
Energy: 0.7435076750626958
Energy: 0.7519280196547002
Energy: 0.7623632074290867
Energy: 0.752473266374598
Energy: 0.7623632074294933
Energy: 0.7524732663750046
Energy: 0.7623632074319325
Energy: 0.752473266374598
Energy: 0.7427539566554482
Energy: 0.7530606711566921
Energy: 0.7427539566554482
Energy: 0.7530606711566921
Energy: 0.7427539566554482
Energy: 0.7530606711566921
Energy: 0.6684181625366369
Energy: 0.7961369670615347
Energy: 0.6684181625366369
Energy: 0.7961369670627543
Energy: 0.6684181625366369
Energy: 0.7961369670615347
Energy: 0.7673838009367728
Energy: 0.713536797812505
Energy: 0.7673838009375858
Energy: 0.7135367978137247
Energy: 0.7673838009379924
Energy: 0.7135367978145377
Energy: 0.7318747565031536
Energy: 0.7227379890077532
Energy: 0.7318747565031536
Energy: 0.7227379890093794
Energy: 0.7318747565031536
Energy: 0.7227379890097859
Energy: 0.742745416616844
Energy: 0.7104303085002562
Energy: 0.7427454166176571
Energy: 0.7104303084998497
Energy: 0.7427454166172506
Energy: 0.7104303085002562
Energy: 0.7910431065733493
Energy: 0.7125360043431431
Energy: 0.7910431065733493
Energy: 0.7125360043427367
Energy: 0.7910431065733493
Energy: 0.7125360043431431
Energy: 0.6687982321905136
Energy: 0.8734319031913184
Energy: 0.6687982321909203
Energy: 0.8734319031913184
Energy: 0.6687982321901071
Energy: 0.8734319031913184
Energy: 0.7254445004157258
Energy: 0.7439677339900511
Energy: 0.7254445004149128
Energy: 0.7439677339900511
Energy: 0.7254445004153194
Energy: 0.743967733989238
Energy: 0.7481401884482478
Energy: 0.769160678548278
Energy: 0.7481401884474347
Energy: 0.7691606785466518
Energy: 0.7481401884470281
Energy: 0.7691606785470583
Energy: 0.7440579584009496
Energy: 0.7483782585688201
Energy: 0.744057958400543
Energy: 0.7483782585700398
Energy: 0.7440579584017627
Energy: 0.7483782585676005
Energy: 0.7258954055967121
Energy: 0.7300049163571009
Energy: 0.7258954055979316
Energy: 0.7300049163571009
Energy: 0.7258954055971185
Energy: 0.7300049163575074
Energy: 0.7224155657439298
Energy: 0.7081531255787444
Energy: 0.7224155568444226
Energy: 0.7081531255787444
Energy: 0.7224155788727762
Energy: 0.7081531255791509
Energy: 0.7200827346036299
Energy: 0.6888761605808607
Energy: 0.7200827346040365
Energy: 0.6888761605808607
Energy: 0.720082734604443
Energy: 0.6888761605796411
Energy: 0.6692586094545306
Energy: 0.753566174686185
Energy: 0.6692586094541241
Energy: 0.7535661746857786
Energy: 0.6692586094545306
Energy: 0.7535661746845589
Energy: 0.7353276726302227
Energy: 0.752276629718522
Energy: 0.7353276725956674
Energy: 0.7522766297189285
Energy: 0.7353276726082699
Energy: 0.752276629718522
Energy: 0.7254632319347009
Energy: 0.6975704894188881
Energy: 0.7254632319347009
Energy: 0.6975704894184815
Energy: 0.7254632319355139
Energy: 0.6975704894180751
Energy: 0.7953547395757483
Energy: 0.7124615252030844
Energy: 0.7953547395733092
Energy: 0.7124615252034908
Energy: 0.7953547395737156
Energy: 0.7124615252030844
Energy: 0.72413605630352
Energy: 0.6881403847426155
Energy: 0.7241360563027068
Energy: 0.6881403847422091
Energy: 0.724136056304333
Energy: 0.6881403847422091
Energy: 0.7354109290887929
Energy: 0.7525242299086949
Energy: 0.7354109289867902
Energy: 0.7525242299086949
Energy: 0.7354109290587095
Energy: 0.7525242299086949
Energy: 0.6693019786657953
Energy: 0.7782601091442423
Energy: 0.6693019786657953
Energy: 0.7782601091442423
Energy: 0.6693019786645756
Energy: 0.7782601091446488
Energy: 0.7194822866044808
Energy: 0.6889314269134679
Energy: 0.7194822866065135
Energy: 0.6889314269155005
Energy: 0.7194822866052939
Energy: 0.6889314269126549

minimum gb energy = 0.6522037208182478 eV
minimum distance =  2.34342910898058 Angstroms
sigma value = 57


========================================
theta = 99.36891557845483
========================================

Energy: 0.6764420847489757
Energy: 0.6570800297989953
Energy: 0.6764420847483137
Energy: 0.6570800297989953
Energy: 0.6764420847489757
Energy: 0.6570800297996572
Energy: 0.6555200919917475
Energy: 0.6371845013021984
Energy: 0.6555200919890998
Energy: 0.6371845013021984
Energy: 0.6555200919890998
Energy: 0.6371845013028604
Energy: 0.7305190512733675
Energy: 0.699201460610047
Energy: 0.7305190512746913
Energy: 0.699201460610047
Energy: 0.7305190512740294
Energy: 0.699201460610047
Energy: 0.626709958394471
Energy: 0.7129328613094487
Energy: 0.626709958393809
Energy: 0.7129328613087867
Energy: 0.626709958394471
Energy: 0.7129328613087867
Energy: 0.6560797090330412
Energy: 0.6028434614776506
Energy: 0.6560797090310555
Energy: 0.6028434614769886
Energy: 0.6560797090303936
Energy: 0.6028434614769886
Energy: 0.7091143003751964
Energy: 0.6475152376788921
Energy: 0.7091143003758583
Energy: 0.6475152376782302
Energy: 0.7091143003745345
Energy: 0.6475152376788921
Energy: 0.6134605279876394
Energy: 0.6922472425820922
Energy: 0.6134605279863153
Energy: 0.6922472425827542
Energy: 0.6134605279883012
Energy: 0.6922472425827542
Energy: 0.7164136271160492
Energy: 0.6789979883010093
Energy: 0.7164136271167111
Energy: 0.6789979882990235
Energy: 0.7164136271167111
Energy: 0.6789979883010093
Energy: 0.6547363349183167
Energy: 0.6497507045792605
Energy: 0.6547363349189785
Energy: 0.6497507045799223
Energy: 0.6547363349189785
Energy: 0.6497507045799223
Energy: 0.6628976018548249
Energy: 0.6683944964265338
Energy: 0.662897601854163
Energy: 0.6683944964265338
Energy: 0.6628976018528391
Energy: 0.6683944964265338
Energy: 0.6133691962531991
Energy: 0.7329731948999769
Energy: 0.6133691962538609
Energy: 0.732973194900639
Energy: 0.6133691962690855
Energy: 0.732973194899315
Energy: 0.6807488628057272
Energy: 0.6191382555725874
Energy: 0.6807488628057272
Energy: 0.6191382555732494
Energy: 0.6807488628057272
Energy: 0.6191382555725874
Energy: 0.6610428042198557
Energy: 0.6949644129426824
Energy: 0.6610428042198557
Energy: 0.6949644129400347
Energy: 0.6610428042198557
Energy: 0.6949644129420205
Energy: 0.6260414167433681
Energy: 0.689113350987054
Energy: 0.6260414167420443
Energy: 0.6891133509857301
Energy: 0.6260414167427062
Energy: 0.6891133509844062
Energy: 0.7212019904027038
Energy: 0.6619437330828098
Energy: 0.7212019904027038
Energy: 0.6619437330821479
Energy: 0.7212019904033657
Energy: 0.6619437330821479
Energy: 0.660098763167173
Energy: 0.6551803433480808
Energy: 0.660098763167173
Energy: 0.6551803433480808
Energy: 0.660098763167173
Energy: 0.6551803433487429
Energy: 0.6729763893171429
Energy: 0.7369570606278817
Energy: 0.6729763893171429
Energy: 0.7369570606278817
Energy: 0.6729763893178048
Energy: 0.7369570606278817
Energy: 0.6936009923952374
Energy: 0.7189204760769253
Energy: 0.6936009923945755
Energy: 0.7189204760769253
Energy: 0.6936009923945755
Energy: 0.7189204760775872
Energy: 0.6359781338817581
Energy: 0.774369611018145
Energy: 0.63597813388242
Energy: 0.774369611018145
Energy: 0.63597813388242
Energy: 0.774369611017483
Energy: 0.6260233508261925
Energy: 0.7074899521283567
Energy: 0.6260233508222209
Energy: 0.7074899521290188
Energy: 0.6260233508261925
Energy: 0.7074899521290188
Energy: 0.7061565243317985
Energy: 0.6936476100923902
Energy: 0.7061565243317985
Energy: 0.6936476100943758
Energy: 0.7061565243331224
Energy: 0.6936476100943758
Energy: 0.6139235232035315
Energy: 0.7784777128814107
Energy: 0.6139235232008838
Energy: 0.7784777128814107
Energy: 0.6139235232028696
Energy: 0.7784777128814107
Energy: 0.6825620497555864
Energy: 0.6821862364005061
Energy: 0.6825620497555864
Energy: 0.6821862364005061
Energy: 0.6825620497549244
Energy: 0.6821862364005061
Energy: 0.6756717670829364
Energy: 0.7031940148570389
Energy: 0.6756717670842605
Energy: 0.7031940148490957
Energy: 0.6756717670835983
Energy: 0.7031940148537293
Energy: 0.6752814920619378
Energy: 0.8217109747679536
Energy: 0.6752814920639237
Energy: 0.8217109747686155
Energy: 0.6752814920619378
Energy: 0.8217109747679536
Energy: 0.6592373740652949
Energy: 0.6810436744610122
Energy: 0.6592373740652949
Energy: 0.6810436744610122
Energy: 0.6592373740652949
Energy: 0.6810436744610122
Energy: 0.6233678764522391
Energy: 0.7744570566688265
Energy: 0.6233678764529013
Energy: 0.7744570566688265
Energy: 0.6233678764522391
Energy: 0.7744570566688265

minimum gb energy = 0.6028434614769886 eV
minimum distance =  2.32093979510671 Angstroms
sigma value = 43


========================================
theta = 102.11511746203723
========================================

Energy: 0.635704814964578
Energy: 0.5907864004147182
Energy: 0.635704814964578
Energy: 0.5907864004147182
Energy: 0.635704814964578
Energy: 0.5907864004147182
Energy: 0.6404598019518083
Energy: 0.5879498976717993
Energy: 0.6404598019498792
Energy: 0.5879498976727638
Energy: 0.6404598019518083
Energy: 0.5879498976717993
Energy: 0.6246408167368218
Energy: 0.6445034717889233
Energy: 0.6246408167368218
Energy: 0.6445034717884409
Energy: 0.6246408167368218
Energy: 0.6445034717889233
Energy: 0.6031190221572968
Energy: 0.6104228733163616
Energy: 0.6031190221577791
Energy: 0.6104228733158792
Energy: 0.6031190221577791
Energy: 0.6104228733158792
Energy: 0.638498920828783
Energy: 0.5468159612664572
Energy: 0.6384989208292653
Energy: 0.5468159612601874
Energy: 0.6384989208297476
Energy: 0.5468159612625989
Energy: 0.6011459724344768
Energy: 0.5816193022841403
Energy: 0.6011459724339945
Energy: 0.5816193022841403
Energy: 0.6011459724339945
Energy: 0.5816193022841403
Energy: 0.7060287228773384
Energy: 0.5971388277703158
Energy: 0.7060287228754093
Energy: 0.5971388277707981
Energy: 0.7060287228773384
Energy: 0.5971388277693512
Energy: 0.7957330700633881
Energy: 0.5247308467732792
Energy: 0.7957330700629058
Energy: 0.5247308467732792
Energy: 0.7957330700633881
Energy: 0.5247308467727968
Energy: 0.5747047272378317
Energy: 0.5727079048391257
Energy: 0.5747047272378317
Energy: 0.572707904839608
Energy: 0.5747047272378317
Energy: 0.572707904839608
Energy: 0.6450802671586272
Energy: 0.5712421153437425
Energy: 0.6450802671586272
Energy: 0.5712421153432602
Energy: 0.6450802671581449
Energy: 0.5712421153437425
Energy: 0.6836670448621242
Energy: 0.6792052231540284
Energy: 0.6836670448616419
Energy: 0.6792052231540284
Energy: 0.6836670448616419
Energy: 0.6792052231545107
Energy: 0.5526524840502308
Energy: 0.5743527444707325
Energy: 0.5526524840507131
Energy: 0.5743527444707325
Energy: 0.5526524840502308
Energy: 0.5743527444707325
Energy: 0.644499854989496
Energy: 0.5449540048294936
Energy: 0.6444998549890139
Energy: 0.5449540048299759
Energy: 0.644499854989496
Energy: 0.5449540048299759
Energy: 0.6861103252692242
Energy: 0.6768165536761351
Energy: 0.6861103252687419
Energy: 0.6768165536761351
Energy: 0.6861103252687419
Energy: 0.6768165536761351
Energy: 0.5687687527189409
Energy: 0.5717166713876894
Energy: 0.5687687527199055
Energy: 0.5717166713872073
Energy: 0.5687687527184585
Energy: 0.5717166713876894
Energy: 0.6106194584774683
Energy: 0.6076487292982449
Energy: 0.6106194584774683
Energy: 0.6076487292987272
Energy: 0.6106194584779506
Energy: 0.6076487292987272
Energy: 0.6993845390702618
Energy: 0.6111893258699443
Energy: 0.6993845390707442
Energy: 0.6111893258713912
Energy: 0.6993845390702618
Energy: 0.6111893258694621
Energy: 0.5818292747134195
Energy: 0.5645511814119692
Energy: 0.5818292747129372
Energy: 0.5645511814119692
Energy: 0.5818292747129372
Energy: 0.5645511814124515
Energy: 0.5834740503964152
Energy: 0.6290242738599658
Energy: 0.5834740503959329
Energy: 0.6290242738604482
Energy: 0.5834740503954506
Energy: 0.6290242738599658
Energy: 0.5831969497384826
Energy: 0.5625498503705799
Energy: 0.5831969497370358
Energy: 0.5625498503705799
Energy: 0.5831969497389649
Energy: 0.5625498503700976
Energy: 0.6218938403143365
Energy: 0.588424795457849
Energy: 0.6218938403138543
Energy: 0.5884247954583314
Energy: 0.6218938403138543
Energy: 0.5884247954588137
Energy: 0.6090895281606052
Energy: 0.6347449121441803
Energy: 0.6090895281610875
Energy: 0.6347449121441803
Energy: 0.6090895281610875
Energy: 0.6347449121441803
Energy: 0.6163572217223492
Energy: 0.6315178789640055
Energy: 0.6163572217223492
Energy: 0.6315178789640055
Energy: 0.6163572217223492
Energy: 0.6315178789640055
Energy: 0.6048331464691901
Energy: 0.5871926630339526
Energy: 0.6048331464691901
Energy: 0.5871926630344348
Energy: 0.6048331464696725
Energy: 0.5871926630339526
Energy: 0.5510055154110943
Energy: 0.6205331220329456
Energy: 0.551005515413988
Energy: 0.6205331220324634
Energy: 0.5510055154149526
Energy: 0.6205331220329456
Energy: 0.5511008605520165
Energy: 0.6083549175680488
Energy: 0.5511008605515342
Energy: 0.6083549175680488
Energy: 0.5511008605515342
Energy: 0.6083549175685311
Energy: 0.5993315300687267
Energy: 0.5655108944297614
Energy: 0.5993315300687267
Energy: 0.5655108944297614
Energy: 0.5993315300687267
Energy: 0.5655108944292792
Energy: 0.5195687935429334
Energy: 0.6151099322581205
Energy: 0.5195687935434156
Energy: 0.6151099322581205
Energy: 0.5195687935434156
Energy: 0.6151099322581205
Energy: 0.5660792615548668
Energy: 0.5757661275328874
Energy: 0.5660792615543845
Energy: 0.5757661275328874
Energy: 0.5660792615543845
Energy: 0.575766127532405
Energy: 0.5659605224050475
Energy: 0.558155829725718
Energy: 0.5659605224050475
Energy: 0.558155829725718
Energy: 0.5659605224050475
Energy: 0.558155829725718
Energy: 0.5058336769391282
Energy: 0.6173426472079816
Energy: 0.5058336769391282
Energy: 0.6173426472079816
Energy: 0.5058336769391282
Energy: 0.6173426472079816
Energy: 0.5665139846008254
Energy: 0.5586230574136237
Energy: 0.5665139846008254
Energy: 0.5586230574136237
Energy: 0.5665139846008254
Energy: 0.5586230574136237
Energy: 0.5493760748780067
Energy: 0.6204043732041823
Energy: 0.5493760748775243
Energy: 0.6204043732046646
Energy: 0.5493760748775243
Energy: 0.6204043732041823
Energy: 0.6872448784902325
Energy: 0.6218281837195451
Energy: 0.6872448784902325
Energy: 0.6218281837190628
Energy: 0.6872448784902325
Energy: 0.6218281837195451
Energy: 0.5676264056643897
Energy: 0.5427960591727992
Energy: 0.5676264056639074
Energy: 0.5427960591737637
Energy: 0.5676264056639074
Energy: 0.5427960591727992
Energy: 0.5056289631344072
Energy: 0.6194420749696286
Energy: 0.5056289631344072
Energy: 0.6194420749691463
Energy: 0.5056289631344072
Energy: 0.6194420749701108

minimum gb energy = 0.5056289631344072 eV
minimum distance =  2.31431459233742 Angstroms
sigma value = 81


========================================
theta = 109.47122063449069
========================================

Energy: 0.026929642312267982
Energy: 0.06308783607365416
Energy: 0.026929642312267982
Energy: 0.06308783607365416
Energy: 0.026929642312267982
Energy: 0.06308783607365416
Energy: 0.42864379869268093
Energy: 0.027939637030761216
Energy: 0.42864379869268093
Energy: 0.027939637030761216
Energy: 0.42864379869268093
Energy: 0.027939637030761216
Energy: 0.42864402814166414
Energy: 0.027963987685291507
Energy: 0.42864402814166414
Energy: 0.027963987685291507
Energy: 0.42864402814166414
Energy: 0.027963987685291507
Energy: 0.026929642312267982
Energy: 0.06308783607365416
Energy: 0.026929642312267982
Energy: 0.06308783607365416
Energy: 0.026929642312267982
Energy: 0.06308783607365416
Energy: 0.42864379869268093
Energy: 0.027939637030761216
Energy: 0.42864379869268093
Energy: 0.027939637030761216
Energy: 0.42864379869268093
Energy: 0.027939637030761216
Energy: 0.42864402814166414
Energy: 0.027963987685291507
Energy: 0.42864402814166414
Energy: 0.027963987685291507
Energy: 0.42864402814166414
Energy: 0.027963987685291507
Energy: 0.026929642312267982
Energy: 0.06308783607365416
Energy: 0.026929642312267982
Energy: 0.06308783607365416
Energy: 0.026929642312267982
Energy: 0.06308783607365416
Energy: 0.42864379869268093
Energy: 0.027939637030761216
Energy: 0.42864379869268093
Energy: 0.027939637030761216
Energy: 0.42864379869268093
Energy: 0.027939637030761216
Energy: 0.42864402814166414
Energy: 0.027963987683519473
Energy: 0.42864402814166414
Energy: 0.027963987685291507
Energy: 0.42864402814166414
Energy: 0.027963987683519473
Energy: 0.026929642312267982
Energy: 0.06308783607365416
Energy: 0.026929642312267982
Energy: 0.06308783607365416
Energy: 0.026929642312267982
Energy: 0.06308783607365416

minimum gb energy = 0.026929642312267982 eV
minimum distance =  2.53067218532728 Angstroms
sigma value = 3


========================================
theta = 117.56060310526324
========================================

Energy: 0.5899710597010167
Energy: 0.4633114014202155
Energy: 0.5899710600582847
Energy: 0.4633114014212761
Energy: 0.5899710601775509
Energy: 0.4633114014212761
Energy: 0.4646796682642223
Energy: 0.5196193891196937
Energy: 0.4646796500887982
Energy: 0.519619389120224
Energy: 0.46467967898872165
Energy: 0.5196193891196937
Energy: 0.544125697571393
Energy: 0.5189806981233448
Energy: 0.5809294911445674
Energy: 0.5189806981228144
Energy: 0.5363039270541761
Energy: 0.5189806981228144
Energy: 0.52384851893141
Energy: 0.5096040303845629
Energy: 0.5238485190024441
Energy: 0.5096040303845629
Energy: 0.5238485187771691
Energy: 0.5096040303845629
Energy: 0.4533144890007198
Energy: 0.5193639615851219
Energy: 0.45331448900178034
Energy: 0.5193639615840613
Energy: 0.4533144890023107
Energy: 0.5193639615845914
Energy: 0.5405920888793027
Energy: 0.5335547291848681
Energy: 0.5405920888793027
Energy: 0.5335547291838076
Energy: 0.5405920888793027
Energy: 0.5335547291843379
Energy: 0.5340333670215727
Energy: 0.5103867201243748
Energy: 0.5340333670210424
Energy: 0.510386720121193
Energy: 0.534033367022103
Energy: 0.510386720128617
Energy: 0.4470777443153767
Energy: 0.5244656168274301
Energy: 0.4470777443153767
Energy: 0.5244656168268998
Energy: 0.4470777443159071
Energy: 0.5244656168258393
Energy: 0.5500510957726719
Energy: 0.5406528983873631
Energy: 0.5500510957726719
Energy: 0.5406528983873631
Energy: 0.5500510957726719
Energy: 0.5406528983873631
Energy: 0.5343011902888269
Energy: 0.48631002025211567
Energy: 0.5343011902893572
Energy: 0.486310020252646
Energy: 0.5343011902914784
Energy: 0.486310020252646
Energy: 0.47895925545360896
Energy: 0.5230983462825841
Energy: 0.4789592554525484
Energy: 0.5230983462852354
Energy: 0.47895925545201806
Energy: 0.5230983462794023
Energy: 0.5640623723595585
Energy: 0.5670925122888946
Energy: 0.5640623723595585
Energy: 0.5670925122888946
Energy: 0.5640623723600887
Energy: 0.5670925122888946
Energy: 0.5235420676594367
Energy: 0.4582027625589338
Energy: 0.5235420676599669
Energy: 0.4582027625589338
Energy: 0.5235420676599669
Energy: 0.4582027625589338
Energy: 0.4990420299888173
Energy: 0.5521067690754499
Energy: 0.4990420299893476
Energy: 0.5521067690706772
Energy: 0.4990420299888173
Energy: 0.552106769088683
Energy: 0.5324832953732366
Energy: 0.5503351310782969
Energy: 0.5324832953742972
Energy: 0.5503351310793575
Energy: 0.5324832953737667
Energy: 0.5503351310782969
Energy: 0.5179688165742669
Energy: 0.4527243513484555
Energy: 0.5179688165737365
Energy: 0.4527243513484555
Energy: 0.5179688165732063
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Energy: 0.4200937944821388
Energy: 0.5677923968363549
Energy: 0.4200937944837297
Energy: 0.5677923968453696
Energy: 0.42009379448425993
Energy: 0.5677923968506725
Energy: 0.5179291572182809
Energy: 0.5214677897305475
Energy: 0.5179291572182809
Energy: 0.5214677897310779
Energy: 0.5179291572182809
Energy: 0.5214677897316081
Energy: 0.5608961683868721
Energy: 0.502747916997104
Energy: 0.5608961683874024
Energy: 0.502747916985968
Energy: 0.5608961683874024
Energy: 0.5027479170039978
Energy: 0.4104951738127944
Energy: 0.6237781688391251
Energy: 0.4104951738127944
Energy: 0.6237781688385948
Energy: 0.41049517381226414
Energy: 0.6237781688396554
Energy: 0.5407857891440725
Energy: 0.40213267464908514
Energy: 0.5407857891435421
Energy: 0.4021326708608201
Energy: 0.5407857891440725
Energy: 0.4021326886482678
Energy: 0.5297035809552825
Energy: 0.5087135706204203
Energy: 0.5297035809552825
Energy: 0.5087135706204203
Energy: 0.5297035809558127
Energy: 0.5087135706209506
Energy: 0.5218676035067343
Energy: 0.5087480106367825
Energy: 0.5218676035077949
Energy: 0.5087480106055199
Energy: 0.5218676035046372
Energy: 0.5087480106399643
Energy: 0.5439197210786588
Energy: 0.5081021203990245
Energy: 0.5439197210786588
Energy: 0.5081021204006152
Energy: 0.5439197210775983
Energy: 0.5081021204006152
Energy: 0.5260300500660016
Energy: 0.53659862444779
Energy: 0.5260300500660016
Energy: 0.5365986244472598
Energy: 0.5260300500654712
Energy: 0.5365986244472598
Energy: 0.5139035737012816
Energy: 0.5272606939557768
Energy: 0.513903573638732
Energy: 0.5272606939547162
Energy: 0.5139035736466863
Energy: 0.5272606939584282
Energy: 0.5945718814114342
Energy: 0.44364777328775595
Energy: 0.5945718814114342
Energy: 0.44364777328775595
Energy: 0.5945718814114342
Energy: 0.4436477732882862
Energy: 0.5370582766039991
Energy: 0.5542479380799734
Energy: 0.5370582766039991
Energy: 0.5542479380799734
Energy: 0.5370582766039991
Energy: 0.5542479380805038
Energy: 0.5040931836920053
Energy: 0.5291084052090916
Energy: 0.5040931836665756
Energy: 0.529108405208031
Energy: 0.504093183646955
Energy: 0.5291084052112128
Energy: 0.5946960133654574
Energy: 0.4783855518956264
Energy: 0.5946960133400038
Energy: 0.4783855518951202
Energy: 0.5946960133506094
Energy: 0.4783855518951202
Energy: 0.5487857205857216
Energy: 0.551326480475803
Energy: 0.5487857205830702
Energy: 0.551326480475803
Energy: 0.5487857205836004
Energy: 0.551326480475803
Energy: 0.48425187162438754
Energy: 0.511015624829999
Energy: 0.48425187162438754
Energy: 0.5110156248305294
Energy: 0.48425187162438754
Energy: 0.511015624829999
Energy: 0.555484791084885
Energy: 0.5275302221130991
Energy: 0.5554847910832942
Energy: 0.5275302221130991
Energy: 0.5554847910965514
Energy: 0.5275302221136293

minimum gb energy = 0.4021326708608201 eV
minimum distance =  2.34980982983906 Angstroms
sigma value = 67


========================================
theta = 121.00758300686714
========================================

Energy: 0.7209513349511496
Energy: 0.6533490023154944
Energy: 0.7209513349511496
Energy: 0.6533490023154944
Energy: 0.7209513349519052
Energy: 0.6533490023154944
Energy: 0.6508055824691249
Energy: 0.662459786614225
Energy: 0.6508055824676136
Energy: 0.6624597866134694
Energy: 0.6508055824676136
Energy: 0.662459786614225
Energy: 0.7028633093431693
Energy: 0.6603653138746785
Energy: 0.7028633093431693
Energy: 0.6603653138746785
Energy: 0.7427294049459399
Energy: 0.6603653138754341
Energy: 0.699729758784875
Energy: 0.6621468888296329
Energy: 0.6997297587833637
Energy: 0.6621468888303886
Energy: 0.699729758784875
Energy: 0.6621468888296329
Energy: 0.5883589200276612
Energy: 0.6405172356035992
Energy: 0.5883589200269056
Energy: 0.6405172356043205
Energy: 0.5883589200276612
Energy: 0.6405172356035992
Energy: 0.6989003807427593
Energy: 0.6847567208931228
Energy: 0.6989003807427593
Energy: 0.6847567208931228
Energy: 0.6989003807427593
Energy: 0.6847567208931228
Energy: 0.6831754568183279
Energy: 0.6412159369207832
Energy: 0.6831754568175723
Energy: 0.6412159369200277
Energy: 0.6831754568175723
Energy: 0.6412159369207832
Energy: 0.6380251376451075
Energy: 0.640303415144533
Energy: 0.638025137645863
Energy: 0.640303415144533
Energy: 0.6380251376443519
Energy: 0.6403034151437773
Energy: 0.7189185006268302
Energy: 0.7240971770129107
Energy: 0.7189185006260745
Energy: 0.724097177012155
Energy: 0.7189185006253188
Energy: 0.724097177012155
Energy: 0.6805246375057055
Energy: 0.6012812431470362
Energy: 0.6805246375057055
Energy: 0.6012812431462806
Energy: 0.6805246375057055
Energy: 0.6012812431477917
Energy: 0.668910310369199
Energy: 0.6895333198438103
Energy: 0.6689103103699545
Energy: 0.6895333198438103
Energy: 0.6689103103699545
Energy: 0.6895333198438103
Energy: 0.6498071034828286
Energy: 0.689504301270016
Energy: 0.6498071034828286
Energy: 0.689504301270016
Energy: 0.6498071034835843
Energy: 0.6895043012707717
Energy: 0.6794527953418673
Energy: 0.648803389016274
Energy: 0.6794527953418673
Energy: 0.648803389016274
Energy: 0.6794527953418673
Energy: 0.648803389016274
Energy: 0.6567069250442621
Energy: 0.6843330740434947
Energy: 0.6567069250435066
Energy: 0.6843330740434947
Energy: 0.6567069250435066
Energy: 0.6843330740442504
Energy: 0.6558599285074137
Energy: 0.6519795388636304
Energy: 0.6558599285074137
Energy: 0.6519795388651415
Energy: 0.6558599285074137
Energy: 0.6519795388643859
Energy: 0.6964420062524309
Energy: 0.6615468236747599
Energy: 0.6964420062524309
Energy: 0.6615468236747599
Energy: 0.6964420062524309
Energy: 0.6615468236747599
Energy: 0.6736613428992128
Energy: 0.694677418908471
Energy: 0.673661342896946
Energy: 0.6946774189092265
Energy: 0.673661342896946
Energy: 0.6946774189092265
Energy: 0.668678940937324
Energy: 0.6413172770872433
Energy: 0.668678940937324
Energy: 0.6413172770879989
Energy: 0.6686789409388353
Energy: 0.6413172770872433
Energy: 0.6829156964619598
Energy: 0.699865579128185
Energy: 0.6829156964619598
Energy: 0.6998655791289407
Energy: 0.6829156964619598
Energy: 0.6998655791289407
Energy: 0.5911848187058082
Energy: 0.69250060031642
Energy: 0.5911848187027858
Energy: 0.69250060031642
Energy: 0.5911848187020302
Energy: 0.69250060031642
Energy: 0.7062208467620286
Energy: 0.649710828171009
Energy: 0.7062208467620286
Energy: 0.6497108281717647
Energy: 0.7062208467605174
Energy: 0.649710828171009
Energy: 0.6978276701199687
Energy: 0.7262502281515342
Energy: 0.697827670117702
Energy: 0.7262502281507786
Energy: 0.6978276701192131
Energy: 0.7262502281507786
Energy: 0.6339323523696939
Energy: 0.691528742443707
Energy: 0.6339323523696939
Energy: 0.6915287424429514
Energy: 0.6339323523719606
Energy: 0.6915287424429514

minimum gb energy = 0.5883589200269056 eV
minimum distance =  2.39422580065737 Angstroms
sigma value = 33


========================================
theta = 124.1232945407953
========================================

Energy: 0.8136019530412422
Energy: 0.7320617267324064
Energy: 0.8136019530422008
Energy: 0.7320617267324064
Energy: 0.81360195304268
Energy: 0.7320617267324064
Energy: 0.741359373983127
Energy: 0.7573963418338732
Energy: 0.741359373983127
Energy: 0.7573963418338732
Energy: 0.741359373981689
Energy: 0.7573963418333939
Energy: 0.7780241824771256
Energy: 0.7766909982490694
Energy: 0.7780241824771256
Energy: 0.77669099824859
Energy: 0.7780241824766463
Energy: 0.7766909982490694
Energy: 0.7866031251491796
Energy: 0.7745789036800712
Energy: 0.786603125148221
Energy: 0.7745789036805505
Energy: 0.7866031251487003
Energy: 0.7745789036800712
Energy: 0.7480452895059504
Energy: 0.7554726143192186
Energy: 0.748045289505471
Energy: 0.7554726143192186
Energy: 0.7480452895049917
Energy: 0.7554726143192186
Energy: 0.8306157611541948
Energy: 0.779847906157659
Energy: 0.8306157611532361
Energy: 0.779847906157659
Energy: 0.8306157611537154
Energy: 0.8185699598530007
Energy: 0.7401770819358726
Energy: 0.7249805906984567
Energy: 0.7401770819353933
Energy: 0.724980590698936
Energy: 0.7401770819353933
Energy: 0.7249805906984567
Energy: 0.788980515378517
Energy: 0.7856505092412845
Energy: 0.7889805153789964
Energy: 0.7856505092408053
Energy: 0.788980515378517
Energy: 0.7856505092408053
Energy: 0.7679202963787054
Energy: 0.7998271456663312
Energy: 0.7679202963782259
Energy: 0.7998271456658518
Energy: 0.7679202963787054
Energy: 0.7998271456672899
Energy: 0.8053516486187401
Energy: 0.723886417858108
Energy: 0.8053516486192194
Energy: 0.7696243557526959
Energy: 0.8053516486192194
Energy: 0.7447383353148189
Energy: 0.7930594264892751
Energy: 0.7717096031079826
Energy: 0.7930594264892751
Energy: 0.771709603108462
Energy: 0.7930594264887957
Energy: 0.7717096031079826
Energy: 0.7408244962596205
Energy: 0.7468038570365578
Energy: 0.7408244962596205
Energy: 0.7468038570375165
Energy: 0.7408244962586619
Energy: 0.7468038570375165
Energy: 0.8057359853039717
Energy: 0.747349440007426
Energy: 0.8057359853039717
Energy: 0.7473494400069466
Energy: 0.8057359853034924
Energy: 0.7473494400069466
Energy: 0.7421938419414228
Energy: 0.7790037737759976
Energy: 0.7421938419409434
Energy: 0.779003773776477
Energy: 0.7421938419414228
Energy: 0.7790037737759976
Energy: 0.7542558006136196
Energy: 0.7566319036268283
Energy: 0.7542558006145783
Energy: 0.7566319036268283
Energy: 0.754255800614099
Energy: 0.7566319036268283
Energy: 0.7858036027290121
Energy: 0.7951320019896486
Energy: 0.7858036027299707
Energy: 0.7951320019896486
Energy: 0.7858036027294913
Energy: 0.7951320019882105
Energy: 0.7381063892472411
Energy: 0.7785170456406222
Energy: 0.7381063892472411
Energy: 0.7785170456406222
Energy: 0.7381063892472411
Energy: 0.7785170456406222
Energy: 0.8124474761074973
Energy: 0.8263452624501427
Energy: 0.8124474761079767
Energy: 0.8263452624492277
Energy: 0.8124474761070181
Energy: 0.8263452624506222
Energy: 0.7313086327263655
Energy: 0.7975071811944726
Energy: 0.7313086327263655
Energy: 0.7975071811954313
Energy: 0.7313086327249274
Energy: 0.7975071811944726
Energy: 0.7457559920552607
Energy: 0.779363218880226
Energy: 0.7457559920547813
Energy: 0.7793632188807051
Energy: 0.7457559920547813
Energy: 0.7793632188807051
Energy: 0.7812389049655741
Energy: 0.7983543421743071
Energy: 0.7812389049650947
Energy: 0.7983543421743071
Energy: 0.7812389049650947
Energy: 0.7983543421738277
Energy: 0.7611431453920213
Energy: 0.671295212509348
Energy: 0.7611431453929799
Energy: 0.671295212509348
Energy: 0.7611431453925006
Energy: 0.6712952125083893
Energy: 0.7656680342830304
Energy: 0.7719783524653617
Energy: 0.7656680342825513
Energy: 0.7719783524658411
Energy: 0.7656680342820719
Energy: 0.7719783524648823
Energy: 0.8034282240683328
Energy: 0.741954407164162
Energy: 0.8034282240688122
Energy: 0.7419544071646414
Energy: 0.8034282240683328
Energy: 0.7419544071636828
Energy: 0.739280918276376
Energy: 0.7422015464514752
Energy: 0.7392809182768554
Energy: 0.7422015464519545
Energy: 0.7392809182768554
Energy: 0.7422015464519545
Energy: 0.7814287858253532
Energy: 0.7895321022296622
Energy: 0.7814287858277499
Energy: 0.7895321022287035
Energy: 0.7814287858282293
Energy: 0.7895321022291829
Energy: 0.7422176725092589
Energy: 0.7340905968842509
Energy: 0.7422176725073415
Energy: 0.7340905968832923
Energy: 0.7422176725063828
Energy: 0.7340905968837715
Energy: 0.7821663389260081
Energy: 0.8222242595974057
Energy: 0.7821663389269667
Energy: 0.8222242595950091
Energy: 0.7821663389274461
Energy: 0.8222242595954885
Energy: 0.7410046903987408
Energy: 0.7717576371636129
Energy: 0.7410046903987408
Energy: 0.7717576371636129
Energy: 0.7410046903996996
Energy: 0.7717576371621748
Energy: 0.7328243360723191
Energy: 0.7213838343376421
Energy: 0.7328243360708812
Energy: 0.7213838343376421
Energy: 0.7328243360718398
Energy: 0.7213838343386009
Energy: 0.8274524875178676
Energy: 0.8269804528286375
Energy: 0.8274524875169089
Energy: 0.8269804528291169
Energy: 0.8274524875173883
Energy: 0.8269804528300755
Energy: 0.7495861759503828
Energy: 0.7793506238130058
Energy: 0.7495861759508622
Energy: 0.7793506238130058
Energy: 0.7495861759503828
Energy: 0.7793506238125264
Energy: 0.7867158124212917
Energy: 0.7772549039289828
Energy: 0.7867158124217711
Energy: 0.7772549039299413
Energy: 0.7867158124212917
Energy: 0.7772549039294621
Energy: 0.7648852827537861
Energy: 0.7572918338828365
Energy: 0.764885282756139
Energy: 0.7572918338828365
Energy: 0.7648852827547011
Energy: 0.7572918338833159
Energy: 0.7410063170577965
Energy: 0.777502611035321
Energy: 0.7410063170573171
Energy: 0.777502611035321
Energy: 0.7410063170573171
Energy: 0.777502611035321
Energy: 0.7936486940627732
Energy: 0.7332372904863731
Energy: 0.7936486940632526
Energy: 0.7332372904868525
Energy: 0.793648694062294
Energy: 0.7332372904868525
Energy: 0.7413533746069566
Energy: 0.7572723645059912
Energy: 0.7413533746059979
Energy: 0.7572723645064705
Energy: 0.741353374607436
Energy: 0.7572723645064705

minimum gb energy = 0.6712952125083893 eV
minimum distance =  2.34250510944747 Angstroms
sigma value = 41


========================================
theta = 129.5211963586422
========================================

Energy: 0.9408430790090804
Energy: 0.9304403868486779
Energy: 0.9408430790077718
Energy: 0.9304403868486779
Energy: 0.9408430790077718
Energy: 0.9304403868486779
Energy: 0.817056798655747
Energy: 0.9015989323521963
Energy: 0.8170567986570556
Energy: 0.9015989323535051
Energy: 0.817056798655747
Energy: 0.9015989323521963
Energy: 0.9753670591158508
Energy: 0.8974631766324536
Energy: 1.0225123409346173
Energy: 0.8974631766337622
Energy: 0.9614203262185946
Energy: 0.8974631766337622
Energy: 0.931863865299921
Energy: 0.9140440480591171
Energy: 0.9318638652986124
Energy: 0.9140440480591171
Energy: 0.931863865299921
Energy: 0.9140440480591171
Energy: 0.8790815138782302
Energy: 0.9113069154368526
Energy: 0.8790815138782302
Energy: 0.9113069154355438
Energy: 0.8790815138782302
Energy: 0.9113069154368526
Energy: 0.9996299428101553
Energy: 0.958871401170832
Energy: 0.9996299428101553
Energy: 0.958871401170832
Energy: 0.9996299428101553
Energy: 0.958871401170832
Energy: 0.9306039779086526
Energy: 0.8586748024812266
Energy: 0.9306039779086526
Energy: 0.8586748024812266
Energy: 0.9306039779086526
Energy: 0.8586748024812266
Energy: 0.9233547520538196
Energy: 0.9018511786208675
Energy: 0.9233547520538196
Energy: 0.9018511786208675
Energy: 0.9233547520538196
Energy: 0.9018511786208675
Energy: 0.8181978187360259
Energy: 0.8823592448864045
Energy: 0.8181978187373347
Energy: 0.8823592448864045
Energy: 0.8181978187360259
Energy: 0.8823592448864045
Energy: 0.9332852109549827
Energy: 0.891374236104843
Energy: 0.9332852109549827
Energy: 0.891374236104843
Energy: 0.9332852109549827
Energy: 0.891374236104843
Energy: 0.8696008116900252
Energy: 0.8979506282206134
Energy: 0.8696008116900252
Energy: 0.8979506282206134
Energy: 0.8696008116900252
Energy: 0.8979506282193047
Energy: 0.9078713174915016
Energy: 0.900962364609743
Energy: 0.9078713174915016
Energy: 0.900962364609743
Energy: 0.9078713174915016
Energy: 0.900962364609743
Energy: 0.829381498904953
Energy: 0.93899334703167
Energy: 0.8293814989036443
Energy: 0.9389933470303612
Energy: 0.8293814989036443
Energy: 0.93899334703167
Energy: 0.8795027247026048
Energy: 0.9021075159867264
Energy: 0.8795027247026048
Energy: 0.9021075159867264
Energy: 0.8795027247026048
Energy: 0.9021075159867264

minimum gb energy = 0.817056798655747 eV
minimum distance =  2.35320967305411 Angstroms
sigma value = 11


========================================
theta = 135.99657265110037
========================================

Energy: 1.0709701830359177
Energy: 1.0444911963544627
Energy: 1.0709701830370677
Energy: 1.0444911963544627
Energy: 1.0709701830359177
Energy: 1.0444911963544627
Energy: 0.9897326173063312
Energy: 1.0168961870882802
Energy: 0.9897326173063312
Energy: 1.0168961870888553
Energy: 0.9897326173063312
Energy: 1.0168961870888553
Energy: 1.039691139847958
Energy: 1.0131665725451766
Energy: 1.0396911398445086
Energy: 1.0131665725451766
Energy: 1.0396911398445086
Energy: 1.0131665725451766
Energy: 1.0273038757017066
Energy: 0.9910301763422659
Energy: 1.0273038757017066
Energy: 0.9910301763422659
Energy: 1.0273038757017066
Energy: 0.9910301763422659
Energy: 1.0546033609359382
Energy: 0.9965356532174573
Energy: 1.0546033609347885
Energy: 0.9965356532168824
Energy: 1.054603360935363
Energy: 0.9965356532168824
Energy: 1.014289395147918
Energy: 1.0265110302216693
Energy: 1.0142893951484928
Energy: 1.0265110302210945
Energy: 1.0142893951484928
Energy: 1.0265110302210945
Energy: 1.0416611116781835
Energy: 1.008208359734761
Energy: 1.0416611116787586
Energy: 1.008208359734761
Energy: 1.0416611116781835
Energy: 1.008208359734761
Energy: 1.0145040530801561
Energy: 1.028917337514806
Energy: 1.014504053080731
Energy: 1.0289173375153808
Energy: 1.0145040530801561
Energy: 1.028917337514806
Energy: 1.0327809672597836
Energy: 1.0239620416844681
Energy: 1.0327809672603583
Energy: 1.0239620416844681
Energy: 1.0327809672603583
Energy: 1.0239620416838933
Energy: 1.0169073892830502
Energy: 1.0289673034443239
Energy: 1.0169073892836251
Energy: 1.0289673034443239
Energy: 1.0169073892836251
Energy: 1.028967303443749
Energy: 1.0118876799889542
Energy: 1.0220805548506544
Energy: 1.0118876799883791
Energy: 1.0220805548500793
Energy: 1.0118876799889542
Energy: 1.0220805548500793
Energy: 1.039017055841168
Energy: 1.0250428145846482
Energy: 1.0390170558423177
Energy: 1.0250428145846482
Energy: 1.039017055841168
Energy: 1.0250428145852228
Energy: 1.040070986714512
Energy: 1.0182544947822882
Energy: 1.0400709867150866
Energy: 1.018254494782863
Energy: 1.0400709867150866
Energy: 1.018254494782863
Energy: 1.0295954231659572
Energy: 1.0333079279606552
Energy: 1.0295954231665323
Energy: 1.0333079279606552
Energy: 1.0295954231665323
Energy: 1.0333079279606552
Energy: 0.9827283261563743
Energy: 1.0316782576919725
Energy: 0.9827283261563743
Energy: 1.0316782576919725
Energy: 1.0143506789158414
Energy: 1.0316782576925474
Energy: 1.041259275456926
Energy: 1.006753806609747
Energy: 1.041259275456351
Energy: 1.006753806581602
Energy: 1.041259275456926
Energy: 1.006753806508038
Energy: 0.988092954502736
Energy: 1.0206076618980073
Energy: 0.988092954502736
Energy: 1.0206076618980073
Energy: 0.988092954502736
Energy: 1.0206076618980073
Energy: 1.0365714886139579
Energy: 1.051128883871397
Energy: 1.0365714886139579
Energy: 1.051128883871397
Energy: 1.0365714886133828
Energy: 1.051128883871397
Energy: 1.003784754302317
Energy: 0.9652337101240586
Energy: 1.003784754302317
Energy: 0.9652337101240586
Energy: 1.003784754302317
Energy: 0.9652337101246337
Energy: 1.0329472116666498
Energy: 1.007541734049782
Energy: 1.0329472116666498
Energy: 1.0075417340486323
Energy: 1.0329472116655
Energy: 1.0075417340474824
Energy: 1.0006815344496425
Energy: 1.0087403872851866
Energy: 1.0006815344496425
Energy: 1.0087403872851866
Energy: 1.0006815344496425
Energy: 1.0087403872851866
Energy: 1.0569010715421385
Energy: 1.0412453970599749
Energy: 1.0569010715421385
Energy: 1.0412453970599749
Energy: 1.0569010715421385
Energy: 1.04124539706055
Energy: 1.0154563769830178
Energy: 1.0231784624734135
Energy: 1.0154563769830178
Energy: 1.0231784624734135
Energy: 1.0154563769830178
Energy: 1.0231784624734135
Energy: 1.029712994473011
Energy: 1.017973373183566
Energy: 1.029712994474161
Energy: 1.017973373183566
Energy: 1.0297129944718613
Energy: 1.017973373183566
Energy: 1.031674774015678
Energy: 1.0176496287968901
Energy: 1.031674774016253
Energy: 1.017649628797465
Energy: 1.031674774015678
Energy: 1.017649628797465
Energy: 1.0069084247327746
Energy: 1.009421712773609
Energy: 1.0069084247327746
Energy: 1.009421712773609
Energy: 1.0069084247327746
Energy: 1.009421712772459
Energy: 1.005634181827964
Energy: 1.0424331844204955
Energy: 1.005634181827964
Energy: 1.0424331844216455
Energy: 1.005634181827964
Energy: 1.0424331844147463
Energy: 1.026746576961966
Energy: 1.0070541531200583
Energy: 1.026746576961966
Energy: 1.0070541531200583
Energy: 1.026746576961966
Energy: 1.0070541531200583
Energy: 1.019923365279046
Energy: 1.0325363348335086
Energy: 1.0199233652796207
Energy: 1.0325363348329337
Energy: 1.019923365279046
Energy: 1.0325363348335086
Energy: 1.0202979681177897
Energy: 1.0012433158465743
Energy: 1.0202979681172148
Energy: 1.0012433158459995
Energy: 1.0202979681177897
Energy: 1.0012433158465743
Energy: 1.004623249937105
Energy: 1.0492712133031743
Energy: 1.004623249937105
Energy: 1.0492712133031743
Energy: 1.004623249937105
Energy: 1.0492712133031743

minimum gb energy = 0.9652337101240586 eV
minimum distance =  2.31433580462598 Angstroms
sigma value = 57


========================================
theta = 141.05755873101862
========================================

Energy: 1.035405758774319
Energy: 1.0516885812222339
Energy: 1.035405758774319
Energy: 1.0516885812222339
Energy: 1.035405758774319
Energy: 1.0516885812232568
Energy: 1.0409820835430015
Energy: 1.043734545245841
Energy: 1.0409820835430015
Energy: 1.043734545245841
Energy: 1.0409820835440249
Energy: 1.043734545245841
Energy: 1.0791722387270724
Energy: 1.0337703643444847
Energy: 1.0791722387270724
Energy: 1.0337703643444847
Energy: 1.0791722387270724
Energy: 1.0337703643444847
Energy: 1.0241323771057873
Energy: 1.1087070081364794
Energy: 1.0241323771068105
Energy: 1.3087659197235955
Energy: 1.0241323771068105
Energy: 1.058124512495776
Energy: 1.0792038859173771
Energy: 1.0337783270756495
Energy: 1.0792038859173771
Energy: 1.0337783270756495
Energy: 1.0792038859173771
Energy: 1.0337783270766727
Energy: 1.0410461307117713
Energy: 1.070636137389651
Energy: 1.0410461307117713
Energy: 1.1223453814095103
Energy: 1.0410461307127945
Energy: 1.0182582648954026
Energy: 1.035405758774319
Energy: 1.0516885812232568
Energy: 1.035405758774319
Energy: 1.0516885812232568
Energy: 1.035405758774319
Energy: 1.0516885812232568
Energy: 1.0409820835430015
Energy: 1.043734545245841
Energy: 1.0409820835430015
Energy: 1.043734545245841
Energy: 1.0409820835430015
Energy: 1.043734545245841
Energy: 1.0791722387270724
Energy: 1.0337703643434617
Energy: 1.0791722387270724
Energy: 1.0337703643434617
Energy: 1.0791722387270724
Energy: 1.0337703643434617
Energy: 1.0241323771068105
Energy: 1.0856224666958505
Energy: 1.0241323771068105
Energy: 1.2203099154212664
Energy: 1.0241323771068105
Energy: 1.029440524320612
Energy: 1.0792038859173771
Energy: 1.0337783270756495
Energy: 1.0792038859173771
Energy: 1.0337783270756495
Energy: 1.0792038859184
Energy: 1.0337783270756495
Energy: 1.0410461307117713
Energy: 1.0182582648943794
Energy: 1.0410461307117713
Energy: 1.0182582648943794
Energy: 1.0410461307117713
Energy: 1.0182582648943794
Energy: 1.035405758774319
Energy: 1.0516885812222339
Energy: 1.035405758774319
Energy: 1.0516885812222339
Energy: 1.035405758774319
Energy: 1.0516885812222339
Energy: 1.0409820835440249
Energy: 1.043734545245841
Energy: 1.0409820835430015
Energy: 1.043734545245841
Energy: 1.0409820835430015
Energy: 1.043734545245841
Energy: 1.0791722387280953
Energy: 1.0337703643434617
Energy: 1.0791722387270724
Energy: 1.0337703643434617
Energy: 1.0791722387270724
Energy: 1.0337703643444847
Energy: 1.0241323771057873
Energy: 1.0856224666958505
Energy: 1.0241323771068105
Energy: 1.2203099154222894
Energy: 1.0241323771068105
Energy: 1.029440524320612
Energy: 1.0792038859173771
Energy: 1.0337783270766727
Energy: 1.0792038859173771
Energy: 1.0337783270756495
Energy: 1.0792038859173771
Energy: 1.0337783270756495

minimum gb energy = 1.0182582648943794 eV
minimum distance =  2.33873928999322 Angstroms
sigma value = 9


========================================
theta = 148.41366190347208
========================================

Energy: 1.1212898520580346
Energy: 1.0357009995818471
Energy: 1.1212898520580346
Energy: 1.0357009995810116
Energy: 1.1212898520580346
Energy: 1.0357009995818471
Energy: 1.0800173534666035
Energy: 1.0360994340582848
Energy: 1.0800173534666035
Energy: 1.0360994340582848
Energy: 1.0800173534666035
Energy: 1.0360994340582848
Energy: 1.0458067369175048
Energy: 1.0372561607363062
Energy: 1.1047400539722274
Energy: 1.0372561607363062
Energy: 1.082712799517789
Energy: 1.0372561607363062
Energy: 1.0500941439396783
Energy: 1.1223839457491114
Energy: 1.0500941439396783
Energy: 1.1223839457491114
Energy: 1.0500941439396783
Energy: 1.1223839457491114
Energy: 1.0646354600191568
Energy: 1.0619377395901106
Energy: 1.0646354600191568
Energy: 1.061937739590946
Energy: 1.0646354600191568
Energy: 1.061937739590946
Energy: 1.0792203337360269
Energy: 1.0722009204119733
Energy: 1.0792203337360269
Energy: 1.0722009204119733
Energy: 1.0792203337360269
Energy: 1.0722009204119733
Energy: 1.050320938294629
Energy: 1.0737236342456322
Energy: 1.050320938294629
Energy: 1.0737236342456322
Energy: 1.050320938294629
Energy: 1.0737236342447967
Energy: 1.057765555864144
Energy: 1.1171243886972717
Energy: 1.057765555864144
Energy: 1.1171243886964364
Energy: 1.057765555864144
Energy: 1.1171243886972717
Energy: 1.132288201637202
Energy: 1.0616891401015252
Energy: 1.1322882016380376
Energy: 1.0616891401015252
Energy: 1.132288201637202
Energy: 1.0616891401006898
Energy: 1.04913902915176
Energy: 1.0598616264221867
Energy: 1.0491390291525953
Energy: 1.0598616264221867
Energy: 1.04913902915176
Energy: 1.0598616264221867
Energy: 1.0390650493065436
Energy: 1.0744667121198912
Energy: 1.0390650493057083
Energy: 1.0744667121198912
Energy: 1.0390650493065436
Energy: 1.0744667121198912
Energy: 1.1158380660789806
Energy: 1.0662182466226642
Energy: 1.1158380660789806
Energy: 1.0662182466226642
Energy: 1.1158380660789806
Energy: 1.0662182466226642
Energy: 1.0493060834900558
Energy: 1.098489209529464
Energy: 1.0493060834908914
Energy: 1.098489209529464
Energy: 1.0493060834908914
Energy: 1.098489209529464
Energy: 1.0510741068239988
Energy: 1.0530996995526045
Energy: 1.051074106824834
Energy: 1.0530996995551105
Energy: 1.0510741068239988
Energy: 1.0530996995517692
Energy: 1.1085095180540534
Energy: 1.0722591815930684
Energy: 1.1085095180540534
Energy: 1.0722591815930684
Energy: 1.108509518053218
Energy: 1.0722591815930684
Energy: 1.0778467535293388
Energy: 1.0796654610668661
Energy: 1.0778467535293388
Energy: 1.0796654610668661
Energy: 1.0778467535301741
Energy: 1.0796654610677012
Energy: 1.0775608344154297
Energy: 1.0873714030674895
Energy: 1.0775608344154297
Energy: 1.0873714030674895
Energy: 1.0775608344154297
Energy: 1.0873714030683248
Energy: 1.146785886312354
Energy: 1.0701770051649295
Energy: 1.146785886312354
Energy: 1.0701770051649295
Energy: 1.1467858863131892
Energy: 1.0701770051657649
Energy: 1.0435012840024258
Energy: 1.0638098506931315
Energy: 1.0435012840024258
Energy: 1.063809850693967
Energy: 1.0435012840024258
Energy: 1.0638098506931315
Energy: 1.069324625885118
Energy: 1.0373183233371819
Energy: 1.069324625885118
Energy: 1.0373183233371819
Energy: 1.069324625885118
Energy: 1.0373183233371819
Energy: 1.1147624030797052
Energy: 1.0658351341148344
Energy: 1.1147624030797052
Energy: 1.0658351341148344
Energy: 1.1147624030797052
Energy: 1.0658351341148344

minimum gb energy = 1.0357009995810116 eV
minimum distance =  2.3063822895587 Angstroms
sigma value = 27


========================================
theta = 153.4746479833903
========================================

Energy: 1.1399711439441684
Energy: 1.0822845920840936
Energy: 1.1088703483685043
Energy: 1.0822845920847979
Energy: 1.1399711439441684
Energy: 1.0822845920847979
Energy: 1.0810662618015665
Energy: 1.0199694629545268
Energy: 1.0810608994058057
Energy: 1.0199694629545268
Energy: 1.0674124277340638
Energy: 1.0199694629545268
Energy: 1.0229744873812556
Energy: 1.0502828342591752
Energy: 1.0229744873798472
Energy: 1.0502828342591752
Energy: 1.0229744873812556
Energy: 1.0502828342598793
Energy: 1.0248132166767892
Energy: 1.0988224938664974
Energy: 1.0248132166781976
Energy: 1.0988224938664974
Energy: 1.0248132166767892
Energy: 1.0988224938672018
Energy: 1.0236824115268253
Energy: 1.0703495565428662
Energy: 1.0236824115261212
Energy: 1.0703495565428662
Energy: 1.0236824115275296
Energy: 1.0703495565428662
Energy: 1.0584124986871373
Energy: 1.1150256853457472
Energy: 1.0584124986864332
Energy: 1.1150256853457472
Energy: 1.0584124986878414
Energy: 1.1150256853464515
Energy: 1.0408825667853063
Energy: 1.0761906816467777
Energy: 1.0408825667846022
Energy: 1.0761906816460736
Energy: 1.0408825667853063
Energy: 1.0761906816460736
Energy: 1.0986221806926486
Energy: 1.0221282253099349
Energy: 1.0986221806919445
Energy: 1.022128225310639
Energy: 1.0986221806919445
Energy: 1.0221282253092308
Energy: 1.119345837172631
Energy: 1.0211722011184232
Energy: 1.136146372161456
Energy: 1.0211722011177191
Energy: 1.1193458371712228
Energy: 1.0211722011177191
Energy: 1.1236684026695247
Energy: 1.0468353080886585
Energy: 1.1251738595427594
Energy: 1.0468353080893626
Energy: 1.1236684026695247
Energy: 1.046835308090771
Energy: 1.1215568213511662
Energy: 1.0622520599056513
Energy: 1.1233413233927099
Energy: 1.0622520599056513
Energy: 1.1215568213511662
Energy: 1.0622520599070595
Energy: 1.076873589027157
Energy: 1.0225989675177316
Energy: 1.0768735890264527
Energy: 1.022598967518436
Energy: 1.076873589027157
Energy: 1.0225989675163234
Energy: 1.023766918639578
Energy: 1.0862210694988395
Energy: 1.0237669186381695
Energy: 1.0862210694981353
Energy: 1.0237669186381695
Energy: 1.0862210694981353
Energy: 1.0394520744188185
Energy: 1.0021378235587637
Energy: 1.0394520744188185
Energy: 1.0021378235594676
Energy: 1.0394520744181146
Energy: 1.002137823560172
Energy: 1.069651570142157
Energy: 1.0920861875904575
Energy: 1.0694251266535846
Energy: 1.0920861875904575
Energy: 1.0696515701414528
Energy: 1.0920861875911616
Energy: 1.0219247500639124
Energy: 1.065690888887966
Energy: 1.0219247500639124
Energy: 1.065690888889374
Energy: 1.0219247500639124
Energy: 1.065690888890078
Energy: 1.0249926851538504
Energy: 1.0266371796361313
Energy: 1.0249926851538504
Energy: 1.0266371796361313
Energy: 1.0249926851538504
Energy: 1.0266371796354272
Energy: 1.103558112144312
Energy: 1.0485341059594313
Energy: 1.103558112144312
Energy: 1.0485341059594313
Energy: 1.1035581121429041
Energy: 1.0485341059594313
Energy: 1.0364549297489511
Energy: 1.021708532521201
Energy: 0.9746036573501734
Energy: 1.0217085325204969
Energy: 1.0364549297489511
Energy: 1.0217085325226094
Energy: 1.1399711439448725
Energy: 1.0822845920847979
Energy: 1.1088703483685043
Energy: 1.082284592085502
Energy: 1.1399711439441684
Energy: 1.082284592085502
Energy: 1.0810663121487778
Energy: 1.0199694629552314
Energy: 1.0810572973345338
Energy: 1.0199694629552314
Energy: 1.0807132305535454
Energy: 1.0199694629545268
Energy: 1.0229744873805515
Energy: 1.0502828342598793
Energy: 1.0229744873798472
Energy: 1.0502828342591752
Energy: 1.0229744873805515
Energy: 1.0502828342598793
Energy: 1.0248132166774933
Energy: 1.0988224938672018
Energy: 1.0248132166781976
Energy: 1.09882249386861
Energy: 1.0248132166774933
Energy: 1.0988224938664974
Energy: 1.0236824115275296
Energy: 1.0703495565435703
Energy: 1.0236824115268253
Energy: 1.0703495565428662
Energy: 1.0236824115275296
Energy: 1.0703495565428662
Energy: 1.0584124986885457
Energy: 1.1150256853464515
Energy: 1.0584124986885457
Energy: 1.1150256853464515
Energy: 1.0584124986885457
Energy: 1.1150256853471558

minimum gb energy = 0.9746036573501734 eV
minimum distance =  2.31293985354566 Angstroms
sigma value = 19


========================================
theta = 157.15649268207542
========================================

Energy: 1.0298149635574914
Energy: 1.0274365740517577
Energy: 1.0298149635574914
Energy: 1.02743657405115
Energy: 1.0298149635568838
Energy: 1.02743657405115
Energy: 1.0130305967129907
Energy: 1.007045387350123
Energy: 1.0130305967129907
Energy: 1.007045387350123
Energy: 1.0130305967129907
Energy: 1.007045387350123
Energy: 1.0404343532203517
Energy: 0.9724842844060261
Energy: 1.081059997720571
Energy: 0.9724842844072417
Energy: 1.0263351324429242
Energy: 0.9724842844066338
Energy: 0.9870544131168536
Energy: 1.0183734504331676
Energy: 0.9870544131168536
Energy: 1.0183734504343833
Energy: 0.9870544131168536
Energy: 1.0183734504331676
Energy: 1.0030241973460363
Energy: 1.0214015821136044
Energy: 1.0030241973466438
Energy: 1.0214015821136044
Energy: 1.0030241973466438
Energy: 1.0214015821142122
Energy: 1.0189211559091333
Energy: 0.9987672171041396
Energy: 1.0189211559085258
Energy: 0.9987672171041396
Energy: 1.0189211559085258
Energy: 0.9987672171041396
Energy: 0.9657286078252688
Energy: 1.035661258538125
Energy: 0.9657286078252688
Energy: 1.0356612585369096
Energy: 0.9657286078252688
Energy: 1.0356612585375173
Energy: 1.001147706469437
Energy: 1.029567795117833
Energy: 1.001147706469437
Energy: 1.0295677951184405
Energy: 1.001147706469437
Energy: 1.029567795117833
Energy: 1.0563879242379846
Energy: 0.9741870461863723
Energy: 1.0563879242373766
Energy: 0.9741870461863723
Energy: 1.0563879242373766
Energy: 0.9741870461863723
Energy: 1.0109383576280646
Energy: 1.008905958342044
Energy: 1.0109383576280646
Energy: 1.008905958342044
Energy: 1.0109383576286723
Energy: 1.008905958342044
Energy: 0.9849480648251804
Energy: 1.0307553950789239
Energy: 0.9849480648251804
Energy: 1.0307553950771005
Energy: 0.9849480648251804
Energy: 1.030755395082543
Energy: 1.0139379236342525
Energy: 0.9737221350202868
Energy: 1.0139379236336445
Energy: 0.9737221350202868
Energy: 1.0139379236336445
Energy: 0.9737221350202868
Energy: 1.0005992706251972
Energy: 1.0086273434572621
Energy: 1.0005992706251972
Energy: 1.0086273434566544
Energy: 1.0005992706251972
Energy: 1.0086273434566544
Energy: 0.9921075304831299
Energy: 1.0205118885500544
Energy: 0.9921075304837378
Energy: 1.0205118885506619
Energy: 0.9921075304819142
Energy: 1.0205118885500544
Energy: 1.019293960415332
Energy: 0.9742171473218664
Energy: 1.019293960415332
Energy: 0.9742171473218664
Energy: 1.019293960414724
Energy: 0.9742171473218664
Energy: 1.0172733189824406
Energy: 0.9721266039727855
Energy: 1.0172733189824406
Energy: 0.9721266039727855
Energy: 1.0172733189824406
Energy: 0.9721266039721776
Energy: 0.9881185189319317
Energy: 1.0266327969828384
Energy: 0.9881185189319317
Energy: 1.0266327969828384
Energy: 0.9881185189319317
Energy: 1.0266327969828384
Energy: 1.0166936942419749
Energy: 1.0233141246096187
Energy: 1.0166936942419749
Energy: 1.0233141246102266
Energy: 1.0166936942419749
Energy: 1.0233141246102266
Energy: 1.0157848588338134
Energy: 0.9998811154850868
Energy: 1.0157848588338134
Energy: 0.9998811154850868
Energy: 1.0157848588332057
Energy: 0.9998811154850868
Energy: 0.9877412442351979
Energy: 1.02373747286575
Energy: 0.9877412442351979
Energy: 1.0237374728645345
Energy: 0.9877412442351979
Energy: 1.0237374728645345
Energy: 0.9654584873305161
Energy: 1.0282667207960805
Energy: 0.9654584873305161
Energy: 1.0282667207960805
Energy: 0.9654584873305161
Energy: 1.0282667207966882
Energy: 1.0534536323264587
Energy: 0.9733341197891437
Energy: 1.0534536323264587
Energy: 0.9733341197891437
Energy: 1.0534536323264587
Energy: 0.973334119788536
Energy: 1.0450230834207337
Energy: 1.0090474074560534
Energy: 1.0450230834207337
Energy: 1.0090474074560534
Energy: 1.0450230834207337
Energy: 1.0090474074560534
Energy: 1.0270350569237965
Energy: 1.0282720253920923
Energy: 1.0270350569237965
Energy: 1.0282720253914845
Energy: 1.0270350569244044
Energy: 1.0282720253920923
Energy: 1.01342259212275
Energy: 0.9719417039685597
Energy: 1.0134225921221423
Energy: 0.9719417039679519
Energy: 1.0134225921221423
Energy: 0.9719417039679519
Energy: 0.9966885346838193
Energy: 0.9823519618032481
Energy: 0.9966885346838193
Energy: 0.9823519618032481
Energy: 0.9966885346832115
Energy: 0.9823519618032481
Energy: 0.9750915912138592
Energy: 1.0173582509571268
Energy: 0.9750915912138592
Energy: 1.0173582509577348
Energy: 0.9750915912138592
Energy: 1.0173582509583425
Energy: 1.0302990821428375
Energy: 1.0049517102024346
Energy: 1.0302990821428375
Energy: 1.0049517102018268
Energy: 1.0302990821422298
Energy: 1.0049517102018268
Energy: 1.0276550637018866
Energy: 1.0010525250681
Energy: 1.0276550637012787
Energy: 1.0010525250681
Energy: 1.0276550637018866
Energy: 1.0010525250681

minimum gb energy = 0.9654584873305161 eV
minimum distance =  2.31237575753762 Angstroms
sigma value = 101


========================================
theta = 159.95002427584853
========================================

Energy: 0.9690709868094516
Energy: 1.0299492353481425
Energy: 0.9690709868094516
Energy: 1.029949235350814
Energy: 0.9690709868094516
Energy: 1.0299492353486768
Energy: 0.990733982538715
Energy: 0.9602480998710766
Energy: 0.9907339825397837
Energy: 0.9632951582263151
Energy: 0.9907339825397837
Energy: 0.9516811646159432
Energy: 0.9341802456055602
Energy: 0.9284347656516069
Energy: 0.9341802456060945
Energy: 0.9284347656516069
Energy: 0.9341802456055602
Energy: 0.9284347656510726
Energy: 0.9115108023950483
Energy: 0.9758977794370723
Energy: 0.9115108023955827
Energy: 1.056221456158224
Energy: 0.9115108023950483
Energy: 0.9967027177028391
Energy: 0.9629178570330112
Energy: 0.9456338625067746
Energy: 0.9629178570330112
Energy: 0.9456338625073089
Energy: 0.9629178570335455
Energy: 0.9456338625073089
Energy: 0.9983686489593923
Energy: 0.9289330838496891
Energy: 0.9983686489604607
Energy: 0.9289330838502234
Energy: 0.9983686489599264
Energy: 0.9289330838502234
Energy: 0.9388735791117129
Energy: 0.9730698722390372
Energy: 0.9388735791117129
Energy: 0.9730698722390372
Energy: 0.9388735791111785
Energy: 0.9730698722390372
Energy: 0.9122771735135351
Energy: 1.032463949149231
Energy: 0.9122771735135351
Energy: 1.0861868999642592
Energy: 0.9122771735135351
Energy: 0.9707043953520301
Energy: 0.9528724788208404
Energy: 0.92824297581701
Energy: 0.9528724776635483
Energy: 0.92824297581701
Energy: 0.9528724775594105
Energy: 0.92824297581701
Energy: 0.9554961668489063
Energy: 0.9737426095553676
Energy: 0.9554961668489063
Energy: 1.0731920437251043
Energy: 0.9554961668494407
Energy: 0.9506101107002385
Energy: 0.9115383962102518
Energy: 1.0648592193869895
Energy: 0.9115383962102518
Energy: 1.0648592193869895
Energy: 0.9115383962102518
Energy: 1.0648592193869895
Energy: 1.000170176172003
Energy: 0.9599495521679107
Energy: 1.0001701761655915
Energy: 0.9642935575427019
Energy: 1.0001701761714687
Energy: 0.9377883310269826
Energy: 0.9804456712322092
Energy: 0.9283491356368138
Energy: 0.9804456712322092
Energy: 0.9283491356373482
Energy: 0.9804456712322092
Energy: 0.9283491356373482
Energy: 0.9731993351978316
Energy: 0.9932020684451622
Energy: 0.9731993351978316
Energy: 1.0314127535433892
Energy: 0.9731993351978316
Energy: 1.0350737601575601
Energy: 0.9841688284029481
Energy: 0.9431930967932511
Energy: 0.9841688284029481
Energy: 0.9431930967937853
Energy: 0.9841688284029481
Energy: 0.9431930967943196
Energy: 0.9348178592530401
Energy: 0.9297892138314643
Energy: 0.9348178592535742
Energy: 0.9297892138314643
Energy: 0.9348178592530401
Energy: 0.9297892138314643
Energy: 0.9118452408049246
Energy: 0.9952608058540665
Energy: 0.9118452408054588
Energy: 0.9952608058540665
Energy: 0.9118452408049246
Energy: 0.995260805853532
Energy: 0.9116110095124844
Energy: 0.9441069633790674
Energy: 0.9116110095119503
Energy: 0.9441069633796018
Energy: 0.9116110095119503
Energy: 0.9441069633774646
Energy: 0.9525616327947177
Energy: 0.9283337713823357
Energy: 0.9525616327947177
Energy: 0.9283337713823357
Energy: 0.9525616327936492
Energy: 0.9283337713818015
Energy: 0.9379076622808397
Energy: 0.9738763687584328
Energy: 0.9379076622797712
Energy: 0.9738763687584328
Energy: 0.9379076622808397
Energy: 0.9738763687584328
Energy: 0.9124306745115149
Energy: 1.0815452828668952
Energy: 0.9124306745115149
Energy: 1.0815452828668952
Energy: 0.9124306745115149
Energy: 1.0815452828668952
Energy: 1.025914420417512
Energy: 0.9282645417835771
Energy: 1.0259144204180461
Energy: 0.9282645417835771
Energy: 1.0259144204169777
Energy: 0.9282645417841114
Energy: 1.0245675183654221
Energy: 0.9278560764732677
Energy: 1.0245675183654221
Energy: 0.9278560764727335
Energy: 1.0245675183654221
Energy: 0.9278560764727335
Energy: 0.9112689840238285
Energy: 0.9411841319647763
Energy: 0.9112689840238285
Energy: 1.0370126700515794
Energy: 0.9112689840238285
Energy: 1.000620132434288
Energy: 1.015151539227167
Energy: 0.9434058789347306
Energy: 1.0151515392277013
Energy: 0.9434058789347306
Energy: 1.0151515392277013
Energy: 0.9434058789347306
Energy: 0.9850197874601764
Energy: 0.9298066885280253
Energy: 0.9850197874601764
Energy: 0.9298066885280253
Energy: 0.9850197874601764
Energy: 0.9298066885280253
Energy: 0.968940200333774
Energy: 0.9956099562774331
Energy: 0.968940200333774
Energy: 0.9956099562768989
Energy: 0.968940200333774
Energy: 0.9956099562768989
Energy: 0.9688398463011082
Energy: 1.0008469161466051
Energy: 0.9688398463021767
Energy: 1.0008469161471396
Energy: 0.9688398463021767
Energy: 1.0008469161466051
Energy: 0.9960223730108573
Energy: 0.9273419433042812
Energy: 0.9960223730108573
Energy: 0.927341943303747
Energy: 0.996022373010323
Energy: 0.9273419433042812
Energy: 0.911968281042436
Energy: 0.9752007502644576
Energy: 0.911968281042436
Energy: 0.9752007502649921
Energy: 0.9119682810419016
Energy: 0.9752007502655261
Energy: 0.9120196516416849
Energy: 0.9771314836230842
Energy: 0.9120196516416849
Energy: 0.9771314836236186
Energy: 0.9120196516416849
Energy: 0.9771314836236186
Energy: 1.0148348303446892
Energy: 0.9284073707553395
Energy: 1.0148348303457577
Energy: 0.9284073707542712
Energy: 1.0148348303452233
Energy: 0.9284073707542712
Energy: 0.9980131329336732
Energy: 0.9276402703974875
Energy: 0.9980131329374131
Energy: 0.9276402703974875
Energy: 0.9980131329320704
Energy: 0.9276402703974875

minimum gb energy = 0.9112689840238285 eV
minimum distance =  2.32291211873048 Angstroms
sigma value = 33


========================================
theta = 180.0
========================================

Energy: 0.015508492887138821
Energy: 0.665088985422914
Energy: 0.015508492887138821
Energy: 0.6650889854233579
Energy: 0.015508492887138821
Energy: 0.6650889854233579
Energy: 0.016466007065616333
Energy: 0.25434078636606094
Energy: 0.016466007066060252
Energy: 0.2543407863669241
Energy: 0.016466007065616333
Energy: 0.2543407863669241
Energy: 0.9042539858711137
Energy: 0.2550250628405097
Energy: 1.4444145601133354
Energy: 0.2550250628396219
Energy: 1.9751685860767902
Energy: 0.25502506284006576
Energy: 0.01646600706475315
Energy: 0.2543407863673434
Energy: 0.01646600706475315
Energy: 0.2543407863669241
Energy: 0.01646600706475315
Energy: 0.2543407863669241

minimum gb energy = 0.015508492887138821 eV
minimum distance =  2.54060817082032 Angstroms
sigma value = 1