Model name: model_name=MEAM_LAMMPS_JelinekGrohHorstemeyer_2012_AlSiMgCuFe__MO_262519520678_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Fe
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.593729183077813
cohesive_energy=4.272647465988359
mass=55.845
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: 0.01671127998614102
Energy: 0.9750253598185018
Energy: 0.016711279986458355
Energy: 0.9750253598185018
Energy: 0.016711279986458355
Energy: 0.9750253598185018
Energy: 0.9750253598185018
Energy: 0.30193439809494566
Energy: 0.9750253598188191
Energy: 1.282262371348017
Energy: 0.9750253598188191
Energy: 0.8227352328251509
Energy: 0.016711279986458355
Energy: 0.9750253598188191
Energy: 0.016711279986458355
Energy: 0.9750253598185018
Energy: 0.016711279986458355
Energy: 0.9750253598185018
Energy: 0.9750253598185018
Energy: 1.2822623713464656
Energy: 0.9750253598185018
Energy: 1.2013458642269352
Energy: 0.9750253598185018
Energy: 0.8227352328235996
Energy: 0.016711279986458355
Energy: 0.9750253598188191
Energy: 0.016711279986458355
Energy: 0.9750253598188191
Energy: 0.016711279986458355
Energy: 0.9750253598185018
Energy: 0.9750253598185018
Energy: 0.8227352328254682
Energy: 0.9750253598185018
Energy: 0.8227352328248337
Energy: 0.9750253598185018
Energy: 0.8227352328251509

minimum gb energy = 0.01671127998614102 eV
minimum distance =  2.43254775772437 Angstroms
sigma value = 1


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

Energy: 1.2159819672624557
Energy: 1.3655571989128013
Energy: 1.2159819672616916
Energy: 1.3655571989128013
Energy: 1.2159819672624557
Energy: 1.365557198913565
Energy: 1.4260366102110285
Energy: 0.9801016676222494
Energy: 1.4260366102117923
Energy: 0.9801016676230131
Energy: 1.4260366102110285
Energy: 0.9801016676230131
Energy: 1.1494506567036498
Energy: 1.1567947070157723
Energy: 1.149450656702886
Energy: 1.1567947070157723
Energy: 1.1494506567036498
Energy: 1.1567947070150084
Energy: 1.250457140533152
Energy: 1.0671004323023847
Energy: 1.2504571405346794
Energy: 1.0671004323016207
Energy: 1.2504571405339155
Energy: 1.0671004323023847
Energy: 1.1132472682466648
Energy: 1.2030682506964159
Energy: 1.1132472682466648
Energy: 1.2030682506956518
Energy: 1.1132472682466648
Energy: 1.2030682506971795
Energy: 1.2114918015290588
Energy: 1.0334226901860235
Energy: 1.2114918015290588
Energy: 1.0334226901860235
Energy: 1.211491801528295
Energy: 1.0334226901860235
Energy: 1.1643575263167916
Energy: 1.1757847595414543
Energy: 1.1081770394343518
Energy: 1.1757847595414543
Energy: 1.108177039433588
Energy: 1.1757847595406903
Energy: 1.0552327826098127
Energy: 1.253526869434798
Energy: 1.0552327826090488
Energy: 1.253526869434798
Energy: 1.0552327826090488
Energy: 1.253526869434798
Energy: 1.2379067095963092
Energy: 1.1759691820786122
Energy: 1.2379067095963092
Energy: 1.1759691820786122
Energy: 1.237906709597073
Energy: 1.1759691820786122
Energy: 0.9685939383633796
Energy: 1.3057394136265175
Energy: 0.9685939383633796
Energy: 1.3057394136272813
Energy: 0.9685939383633796
Energy: 1.3057394136272813
Energy: 1.2303431515342271
Energy: 1.0251738822860172
Energy: 1.2303431515357546
Energy: 1.0251738822852534
Energy: 1.2303431515349907
Energy: 1.0251738822852534
Energy: 0.9513727787112499
Energy: 1.215729253745778
Energy: 0.9513727787120139
Energy: 1.215729253745778
Energy: 0.9513727787120139
Energy: 1.2157292537465416
Energy: 1.3225232141532282
Energy: 0.9320210889840606
Energy: 1.3225232141539918
Energy: 0.9320210889825329
Energy: 1.3225232141532282
Energy: 0.9320210889825329
Energy: 1.061180709430667
Energy: 1.1404619955368958
Energy: 1.061180709430667
Energy: 1.1404619955368958
Energy: 1.061180709430667
Energy: 1.1404619955361321
Energy: 1.3852317630004625
Energy: 0.9834493041010111
Energy: 1.3852317630012263
Energy: 0.9834493041017747
Energy: 1.3852317630004625
Energy: 0.9834493041002471
Energy: 1.2972509223687436
Energy: 1.1715296347976392
Energy: 1.2972509223679796
Energy: 1.171529634796875
Energy: 1.2972509223687436
Energy: 1.171529634796875
Energy: 1.1495576723322374
Energy: 1.1329047036005004
Energy: 1.1495576723322374
Energy: 1.1329047035989726
Energy: 1.1495576723314735
Energy: 1.1329047035982087
Energy: 1.1495835633954652
Energy: 1.081110197523583
Energy: 1.1495835633939375
Energy: 1.081110197524347
Energy: 1.1495835633924096
Energy: 1.081110197524347
Energy: 1.0080716571411412
Energy: 1.0729675906341565
Energy: 1.0080716571403772
Energy: 1.0729675906341565
Energy: 1.0080716571403772
Energy: 1.0729675906333924
Energy: 1.1807988631541657
Energy: 1.0337538651074314
Energy: 1.1807988631534019
Energy: 1.0337538651081952
Energy: 1.1807988631556934
Energy: 1.0337538651074314
Energy: 1.001206623563083
Energy: 1.296866600256138
Energy: 1.0012066235623192
Energy: 1.296866600255374
Energy: 1.0012066235623192
Energy: 1.296866600256138
Energy: 1.253909822157292
Energy: 1.1754741396683346
Energy: 1.253909822157292
Energy: 1.1754741396690984
Energy: 1.253909822157292
Energy: 1.1754741396690984
Energy: 0.9176393109737908
Energy: 1.4237888628712916
Energy: 0.9176393109730269
Energy: 1.4237888628712916
Energy: 0.9176393109737908
Energy: 1.4237888628712916

minimum gb energy = 0.9176393109730269 eV
minimum distance =  2.34265006618118 Angstroms
sigma value = 33


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

Energy: 1.3518995439559627
Energy: 1.2792691856705136
Energy: 1.2633508845865573
Energy: 1.279269185661824
Energy: 1.3518995439559627
Energy: 1.2792691856735154
Energy: 1.3342533886979229
Energy: 1.057706681954536
Energy: 1.3342533886996213
Energy: 1.0577066819523633
Energy: 1.3342533887000558
Energy: 1.0577066819554048
Energy: 1.1270063694168246
Energy: 0.856781908819926
Energy: 1.1270063694155212
Energy: 0.8567818968249593
Energy: 1.1270063694155212
Energy: 0.8567818855925814
Energy: 1.2518725405599456
Energy: 1.262596234804068
Energy: 1.2518725405586422
Energy: 1.2625962348049369
Energy: 1.251872540557378
Energy: 1.2625962348036335
Energy: 1.199790988899399
Energy: 1.2054355669731347
Energy: 1.1997909888972267
Energy: 1.2054355669761763
Energy: 1.1997909888967921
Energy: 1.2054355669844312
Energy: 1.02027691310187
Energy: 1.1170847487635494
Energy: 1.0202769146618063
Energy: 1.120969881019188
Energy: 1.0202769161922376
Energy: 1.1170847487618114
Energy: 1.3276325407601248
Energy: 1.3047280779658228
Energy: 1.3276325407596905
Energy: 1.2609858599885302
Energy: 1.3276325407609937
Energy: 1.3047280779653883
Energy: 0.9016420109394824
Energy: 1.4513870650581824
Energy: 0.9016420109381788
Energy: 1.4513870650577476
Energy: 0.9016420109377444
Energy: 1.4513870650581824
Energy: 0.8567723464510701
Energy: 1.1216309474114445
Energy: 0.8567688047391019
Energy: 1.1216309474092725
Energy: 0.8567678385180956
Energy: 1.1216309474101411
Energy: 1.068859612125407
Energy: 0.9623571273703809
Energy: 1.071743726969741
Energy: 0.962360551739198
Energy: 1.068859612124973
Energy: 0.9622833461907064
Energy: 1.3403601467973278
Energy: 1.0668778988216536
Energy: 1.340360146796459
Energy: 1.066877898821219
Energy: 1.340360146798197
Energy: 1.0668778988207845
Energy: 1.121274084936596
Energy: 1.0097934304506462
Energy: 1.121217332890659
Energy: 1.0097934304506462
Energy: 1.1212740849361615
Energy: 1.0097934304519498
Energy: 1.404176349512103
Energy: 0.9955131213419863
Energy: 1.4039163796956944
Energy: 0.9955131213185244
Energy: 1.404176349512103
Energy: 0.9955131213076626
Energy: 1.2990302889320344
Energy: 1.292472751690822
Energy: 1.2990210976025334
Energy: 1.2396658923112551
Energy: 1.2990302889302965
Energy: 1.2924727516921257
Energy: 1.1469997925056739
Energy: 1.057487091461429
Energy: 1.1469997924965498
Energy: 1.0574870914622978
Energy: 1.1469997924791708
Energy: 1.0574870914609944
Energy: 1.1210563663807622
Energy: 1.0863481228395528
Energy: 1.1210563663811968
Energy: 1.0863481228395528
Energy: 1.1210563663803277
Energy: 1.0863481228421596
Energy: 1.3287680842584375
Energy: 1.2582054773606854
Energy: 1.3287680842575686
Energy: 1.2582054773632922
Energy: 1.3287680842597411
Energy: 1.2582054773615543
Energy: 1.1957090443207785
Energy: 0.9543458455791964
Energy: 1.1957090443442404
Energy: 1.1208504437807763
Energy: 1.1957090443633573
Energy: 0.9543458464907325
Energy: 1.0765560908028755
Energy: 1.057652047945098
Energy: 1.076556090802441
Energy: 1.0231230936595308
Energy: 1.076556090802441
Energy: 1.0576480345450292
Energy: 1.3497369703049567
Energy: 1.2545114993194808
Energy: 1.3474307229266351
Energy: 1.29866198102722
Energy: 1.3497369703071291
Energy: 1.254511499319046
Energy: 0.9390403218670217
Energy: 1.2774629577486918
Energy: 0.9556513065522847
Energy: 1.2774629577882295
Energy: 0.9390403218704976
Energy: 1.2774629578068724
Energy: 0.8572474416851336
Energy: 1.1237040797547373
Energy: 0.8572474412777505
Energy: 1.123704079753434
Energy: 0.8572474401242891
Energy: 1.123704079753434
Energy: 1.069831963196761
Energy: 0.9663910761178073
Energy: 1.0712953654629847
Energy: 0.9663914277736892
Energy: 1.0698319631971955
Energy: 0.9663902165208914
Energy: 1.3455218421828306
Energy: 1.2125747008339012
Energy: 1.345521842179789
Energy: 1.21257470083477
Energy: 1.345521842179789
Energy: 1.2125747008343355
Energy: 1.1245598621685056
Energy: 1.0352666562871535
Energy: 1.1265994067637555
Energy: 1.035266656335815
Energy: 1.1245598621706778
Energy: 1.0352666563162636
Energy: 1.3457812388085642
Energy: 1.2555638426142606
Energy: 1.255918661103642
Energy: 1.2555638426159985
Energy: 1.3457812388081294
Energy: 1.255563842616433
Energy: 1.2706859328440427
Energy: 1.0610861332481754
Energy: 1.2561690657847906
Energy: 1.0610861318553948
Energy: 1.2706859328457807
Energy: 1.0610861313963882
Energy: 1.125326651856575
Energy: 1.0906772304144987
Energy: 1.125326651856575
Energy: 1.0906772304140642
Energy: 1.1253266518570093
Energy: 1.0906772304153676
Energy: 1.32259316844906
Energy: 1.0845089782831114
Energy: 1.3225931684503636
Energy: 1.0845089782839805
Energy: 1.3225931684529704
Energy: 1.0845089782848494
Energy: 1.0646888746671834
Energy: 1.3556101943145629
Energy: 1.0646888746650112
Energy: 1.3556101943119558
Energy: 1.0646888746645766
Energy: 1.3556101943123904
Energy: 1.1824056040182842
Energy: 1.1199631967518588
Energy: 1.1824056058544303
Energy: 1.115272005137393
Energy: 1.1824056071342859
Energy: 1.1199631967518588
Energy: 1.0007142744335553
Energy: 1.3988482155933664
Energy: 1.0007142744652329
Energy: 1.3664569917356222
Energy: 1.0007142744926047
Energy: 1.398848215594235
Energy: 1.2027505355352657
Energy: 1.2996423953301368
Energy: 1.2027505355330936
Energy: 1.2544005823674529
Energy: 1.2027505355330936
Energy: 1.2996423953297025
Energy: 1.0447990833985883
Energy: 1.1841673466094385
Energy: 1.0447990833972849
Energy: 1.184167347375069
Energy: 1.044799083396416
Energy: 1.1841673487026774
Energy: 0.8570993939159417
Energy: 1.1209118882754825
Energy: 0.85709938812213
Energy: 1.1209118882763518
Energy: 0.8570993820768739
Energy: 1.1209118882759173
Energy: 1.2571641272206304
Energy: 1.3269572755096652
Energy: 1.2571641272219338
Energy: 1.326957275510534
Energy: 1.257164127221065
Energy: 1.326957275510534
Energy: 1.119780232636108
Energy: 1.1963552784842884
Energy: 1.1200021445365766
Energy: 1.1963552784834197
Energy: 1.1197802326352388
Energy: 1.1963552784825506
Energy: 1.1674868806862888
Energy: 1.0783405680606415
Energy: 1.1676015259059564
Energy: 1.0783405680610763
Energy: 1.167486880684116
Energy: 1.0783405680597729
Energy: 1.3001808783133146
Energy: 1.3458324513118065
Energy: 1.3001809853981496
Energy: 1.3468714250352822
Energy: 1.3001808783124456
Energy: 1.3458324513100686
Energy: 1.2554304126329514
Energy: 0.9854970684017829
Energy: 1.2554304128123122
Energy: 0.9549150800598539
Energy: 1.255430412278575
Energy: 0.9854970684030863
Energy: 1.1212162235964018
Energy: 0.863008451160754
Energy: 1.121216223594664
Energy: 0.8630081309410581
Energy: 1.1212162235937948
Energy: 0.8630250165155999

minimum gb energy = 0.8567678385180956 eV
minimum distance =  2.37990443961299 Angstroms
sigma value = 51


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

Energy: 1.213369881868692
Energy: 1.2955303507653613
Energy: 1.2133698818696987
Energy: 1.2955303507653613
Energy: 1.213369881868692
Energy: 1.2955303507653613
Energy: 1.3779819820023242
Energy: 1.0646672748459394
Energy: 1.3779819820023242
Energy: 1.0646672748459394
Energy: 1.3779819820023242
Energy: 1.0646672748459394
Energy: 1.117852426717826
Energy: 1.3257737769439244
Energy: 1.117852426717826
Energy: 1.3257737769429176
Energy: 1.117852426717826
Energy: 1.3257737769439244
Energy: 1.1536890589317497
Energy: 0.9780446848191559
Energy: 1.1536890589317497
Energy: 0.9780446848191559
Energy: 1.1536890589317497
Energy: 0.9780446848201626
Energy: 1.1579209845935639
Energy: 1.1495363885611691
Energy: 1.1579209845925573
Energy: 1.1495363885621759
Energy: 1.1579209845925573
Energy: 1.1495363885611691
Energy: 1.1843989827464794
Energy: 1.1489099614537546
Energy: 1.1843989827454726
Energy: 1.1489099614527478
Energy: 1.1843989827454726
Energy: 1.1489099614537546
Energy: 1.1504285489782164
Energy: 1.154410062077704
Energy: 1.1504285489782164
Energy: 1.154410062077704
Energy: 1.1504285489782164
Energy: 1.154410062077704
Energy: 1.0437372274572594
Energy: 1.2310391522786652
Energy: 1.0437372274572594
Energy: 1.231039152276652
Energy: 1.0437372274562526
Energy: 1.2310391522786652
Energy: 1.3047133955235328
Energy: 0.9758631761103415
Energy: 1.3047133955235328
Energy: 0.9758631761103415
Energy: 1.3047133955235328
Energy: 0.975863176111348
Energy: 1.0264265295725243
Energy: 1.3426166135322655
Energy: 1.0264265295725243
Energy: 1.3426166135302522
Energy: 1.0264265295725243
Energy: 1.3426166135312587
Energy: 1.3797268750988445
Energy: 0.9633874972135679
Energy: 1.3797268750988445
Energy: 0.9633874972135679
Energy: 1.3797268750988445
Energy: 0.9633874972135679
Energy: 1.2099919801285877
Energy: 1.2635997074980179
Energy: 1.2099919801285877
Energy: 1.2635997074980179
Energy: 1.2099919801285877
Energy: 1.2635997074970113
Energy: 1.3020797268060251
Energy: 1.0663751000025605
Energy: 1.3020797268150852
Energy: 1.0663751000025605
Energy: 1.3020797268140787
Energy: 1.066375100001554
Energy: 1.112631594281307
Energy: 1.1553844846304666
Energy: 1.112631594281307
Energy: 1.15538448462946
Energy: 1.1126315942803002
Energy: 1.15538448462946
Energy: 1.15692268055654
Energy: 1.1915093208883325
Energy: 1.1569226805555335
Energy: 1.1915093208883325
Energy: 1.1569226805555335
Energy: 1.1915093208883325
Energy: 1.180269655931439
Energy: 1.1489642740136512
Energy: 1.180269655931439
Energy: 1.1489642740136512
Energy: 1.1802696559334525
Energy: 1.1489642740136512
Energy: 1.1564954387693944
Energy: 1.241204369322739
Energy: 1.1564954387683875
Energy: 1.2412043693217323
Energy: 1.1564954387693944
Energy: 1.2412043693217323
Energy: 1.1985891813645957
Energy: 1.149176117178535
Energy: 1.1985891813645957
Energy: 1.149176117178535
Energy: 1.1985891813645957
Energy: 1.1491761171795416

minimum gb energy = 0.9633874972135679 eV
minimum distance =  2.31753038725062 Angstroms
sigma value = 19


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

Energy: 0.9878791312671996
Energy: 1.1746095777334082
Energy: 0.9878791312671996
Energy: 1.1746095777334082
Energy: 0.9878791312671996
Energy: 1.1746095777334082
Energy: 1.2091312692934701
Energy: 1.1617440977208995
Energy: 1.2091312692946645
Energy: 1.1617440977208995
Energy: 1.2091312692934701
Energy: 1.1617440977208995
Energy: 0.9056671784094271
Energy: 1.1607568891240703
Energy: 0.9056671784094271
Energy: 1.1607568891235
Energy: 0.9056671784094271
Energy: 1.1607568891235
Energy: 1.1235433646936155
Energy: 0.905269566524206
Energy: 1.1235433646936155
Energy: 0.9052695665236088
Energy: 1.1235433646936155
Energy: 0.905269566524206
Energy: 0.9481090272229331
Energy: 0.9879997961999912
Energy: 0.9481090272211419
Energy: 0.9879997961999912
Energy: 0.9481090272211419
Energy: 0.9879997961999912
Energy: 0.9479398782816204
Energy: 0.9873850400374069
Energy: 0.9479398782810232
Energy: 0.987385040038004
Energy: 0.9479398782810232
Energy: 0.9873850400374069
Energy: 1.1233392770030688
Energy: 0.9052830955581757
Energy: 1.1233392770018746
Energy: 0.9052830955575786
Energy: 1.1233392770018746
Energy: 0.9052830955575786
Energy: 0.905460427283436
Energy: 1.1608032277683564
Energy: 0.9054604272840331
Energy: 1.1608032277683564
Energy: 0.905460427283436
Energy: 1.1608032277677593
Energy: 1.2093440950437806
Energy: 1.161675057614754
Energy: 1.2093440950437806
Energy: 1.1616750576153512
Energy: 1.2093440950443777
Energy: 1.1616750576129626
Energy: 0.9878791312671996
Energy: 1.1746095777328112
Energy: 0.9878791312671996
Energy: 1.1746095777334082
Energy: 0.9878791312671996
Energy: 1.1746095777328112
Energy: 1.2091312692940674
Energy: 1.161744097719108
Energy: 1.2091312692940674
Energy: 1.1617440977208995
Energy: 1.2091312692940674
Energy: 1.1617440977214968
Energy: 0.9056671784088299
Energy: 1.1607568891235
Energy: 0.9056671784088299
Energy: 1.1607568891235
Energy: 0.9056671784094271
Energy: 1.1607568891240703
Energy: 1.1235433646936155
Energy: 0.905269566524206
Energy: 1.1235433646936155
Energy: 0.905269566524206
Energy: 1.1235433646936155
Energy: 0.905269566524206
Energy: 0.948109027222336
Energy: 0.9879997961993942
Energy: 0.948109027221739
Energy: 0.9879997961993942
Energy: 0.9481090272211419
Energy: 0.9879997961993942
Energy: 0.9479398782822175
Energy: 0.987385040038004
Energy: 0.9479398782822175
Energy: 0.987385040038004
Energy: 0.9479398782816204
Energy: 0.9873850400374069
Energy: 1.1233392770030688
Energy: 0.9052830955575786
Energy: 1.1233392770030688
Energy: 0.9052830955575786
Energy: 1.1233392770024715
Energy: 0.9052830955575786
Energy: 0.9054604272840331
Energy: 1.1608032277683564
Energy: 0.905460427283436
Energy: 1.1608032277689537
Energy: 0.9054604272840331
Energy: 1.1608032277689537
Energy: 1.2093440950443777
Energy: 1.1616750576129626
Energy: 1.2093440950437806
Energy: 1.1616750576141568
Energy: 1.2093440950443777
Energy: 1.1616750576135597
Energy: 0.9878791312671996
Energy: 1.1746095777334082
Energy: 0.9878791312671996
Energy: 1.1746095777328112
Energy: 0.9878791312671996
Energy: 1.1746095777328112
Energy: 1.2091312692940674
Energy: 1.1617440977208995
Energy: 1.2091312692946645
Energy: 1.1617440977197053
Energy: 1.2091312692940674
Energy: 1.1617440977214968
Energy: 0.9056671784094271
Energy: 1.1607568891240703
Energy: 0.9056671784094271
Energy: 1.1607568891240703
Energy: 0.9056671784094271
Energy: 1.1607568891240703
Energy: 1.1235433646930184
Energy: 0.9052695665236088
Energy: 1.1235433646936155
Energy: 0.9052695665230116
Energy: 1.1235433646936155
Energy: 0.905269566524206
Energy: 0.948109027222336
Energy: 0.9879997961999912
Energy: 0.9481090272211419
Energy: 0.9879997961999912
Energy: 0.9481090272211419
Energy: 0.9879997961993942
Energy: 0.9479398782816204
Energy: 0.9873850400386012
Energy: 0.9479398782810232
Energy: 0.9873850400374069
Energy: 0.9479398782816204
Energy: 0.987385040038004
Energy: 1.1233392770018746
Energy: 0.9052830955575786
Energy: 1.1233392770018746
Energy: 0.9052830955575786
Energy: 1.1233392770012773
Energy: 0.9052830955575786
Energy: 0.905460427283436
Energy: 1.1608032277701479
Energy: 0.905460427283436
Energy: 1.1608032277695508
Energy: 0.905460427283436
Energy: 1.1608032277683564
Energy: 1.2093440950437806
Energy: 1.1616750576123653
Energy: 1.2093440950437806
Energy: 1.161675057614754
Energy: 1.2093440950437806
Energy: 1.1616750576141568
Energy: 0.9878791312666025
Energy: 1.1746095777328112
Energy: 0.9878791312671996
Energy: 1.1746095777328112
Energy: 0.9878791312671996
Energy: 1.1746095777334082
Energy: 1.2091312692946645
Energy: 1.1617440977208995
Energy: 1.2091312692946645
Energy: 1.1617440977208995
Energy: 1.2091312692934701
Energy: 1.1617440977203024
Energy: 0.9056671784094271
Energy: 1.1607568891240703
Energy: 0.9056671784088299
Energy: 1.1607568891235
Energy: 0.9056671784094271
Energy: 1.1607568891235

minimum gb energy = 0.9052695665230116 eV
minimum distance =  2.32128866376775 Angstroms
sigma value = 27


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

Energy: 0.9652717557083046
Energy: 0.9098510441117683
Energy: 0.965271755706842
Energy: 0.9098510441117683
Energy: 0.9652717557083046
Energy: 0.9098510441117683
Energy: 1.1615445515456424
Energy: 0.9760154843009072
Energy: 1.1615445515456424
Energy: 0.9760154843009072
Energy: 1.1615445515441798
Energy: 0.9760154843009072
Energy: 0.920149143130084
Energy: 1.167480336708423
Energy: 0.9201491431286213
Energy: 1.1674803367098856
Energy: 0.9201491431271587
Energy: 1.167480336708423
Energy: 1.041188254110591
Energy: 0.8842585031544739
Energy: 1.041188254110591
Energy: 0.8842585031544739
Energy: 1.041188254110591
Energy: 0.8842585031544739
Energy: 1.0622939681617802
Energy: 0.8843833379832818
Energy: 1.0622939681603176
Energy: 0.8843833379832818
Energy: 1.0622939681617802
Energy: 0.8843833379832818
Energy: 1.0427409047776255
Energy: 1.1232721210648984
Energy: 1.0427409047761629
Energy: 1.1232721210648984
Energy: 1.0427409047776255
Energy: 1.1232721210648984
Energy: 0.9716041019845353
Energy: 0.9419700613689395
Energy: 0.9716041019845353
Energy: 0.9419700613689395
Energy: 0.9716041019845353
Energy: 0.9419700613689395
Energy: 0.9636289544183074
Energy: 0.9842486005244183
Energy: 0.9636289544183074
Energy: 0.9842486005244183
Energy: 0.9636289544183074
Energy: 0.9842486005244183
Energy: 1.1510680479128677
Energy: 0.9195845964042415
Energy: 1.1510680479128677
Energy: 0.9195845993092762
Energy: 1.1510680479128677
Energy: 0.9195845944918963
Energy: 1.015094243567535
Energy: 1.1199849353307412
Energy: 1.015094243567535
Energy: 1.1199849357298843
Energy: 1.015094243567535
Energy: 1.1199849354360203
Energy: 0.9191393778539789
Energy: 0.8843824039534587
Energy: 0.9191393778525163
Energy: 0.8843824039534587
Energy: 1.0694496611508764
Energy: 0.8843824039534587
Energy: 1.093324052774361
Energy: 1.1032318819697178
Energy: 1.093324052774361
Energy: 1.1032318819697178
Energy: 1.093324052774361
Energy: 1.1032318819682554

minimum gb energy = 0.8842585031544739 eV
minimum distance =  2.32629465237381 Angstroms
sigma value = 9


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

Energy: 0.9440098200055128
Energy: 0.8243229669596026
Energy: 0.944009820005924
Energy: 0.8243229669596026
Energy: 0.94400982000428
Energy: 0.8243229669583696
Energy: 0.9501074939863857
Energy: 0.8086349543380505
Energy: 0.9501074940064862
Energy: 0.8707178382281506
Energy: 0.9501074940122398
Energy: 0.9124754410841115
Energy: 0.7961020128228439
Energy: 1.093951592550585
Energy: 0.7961020128220219
Energy: 1.0939515925550682
Energy: 0.7961020128220219
Energy: 1.0939515925464751
Energy: 0.8533544793611737
Energy: 0.8372906126907586
Energy: 0.8533544793619957
Energy: 0.8372906126903477
Energy: 0.8533544793607628
Energy: 0.8372906126903477
Energy: 0.8413700598573085
Energy: 0.8240702616307086
Energy: 0.8413700598597744
Energy: 0.8240702616302977
Energy: 0.8413700598536097
Energy: 0.8240702616311196
Energy: 0.9098300634240456
Energy: 0.8705382466875801
Energy: 0.9098300634240456
Energy: 0.932779948006726
Energy: 0.9098300634244565
Energy: 0.8814259106930715
Energy: 0.8693355345972646
Energy: 0.9615780533824678
Energy: 0.8693355346083611
Energy: 0.9615780533832898
Energy: 0.86933553461942
Energy: 0.9615780533820569
Energy: 0.795419489533407
Energy: 0.8624021358043528
Energy: 0.7954194895329959
Energy: 0.8624021358047637
Energy: 0.795419489533407
Energy: 0.8624021358047637
Energy: 1.0540541228861922
Energy: 0.8245030712275953
Energy: 1.054054122887836
Energy: 0.8245030712271844
Energy: 1.054054122889069
Energy: 0.8245030712271844
Energy: 0.8589257383309318
Energy: 0.9547047301841877
Energy: 0.8589257383305209
Energy: 0.9547047301808999
Energy: 0.8589257383305209
Energy: 0.9547047301973388
Energy: 0.855566797041047
Energy: 0.8317631093020305
Energy: 0.855566797041047
Energy: 0.8317631093028525
Energy: 0.855566797041047
Energy: 0.8317631093020305
Energy: 0.7928613068804168
Energy: 0.8681274322640027
Energy: 0.7928613068804168
Energy: 0.8681274322623588
Energy: 0.7928613068804168
Energy: 0.868127432261126
Energy: 0.9613221737681975
Energy: 0.8545468754820292
Energy: 0.9613221737739511
Energy: 0.8545468754807964
Energy: 0.9613221737624812
Energy: 0.8545468754824401
Energy: 0.9428731150362785
Energy: 0.9128445625333075
Energy: 0.9428731150346346
Energy: 0.9128445625337184
Energy: 0.9428731150354566
Energy: 0.9128445625341293
Energy: 0.8201267749417636
Energy: 0.9133999472430925
Energy: 0.8201267749417636
Energy: 0.9133999472430925
Energy: 0.8201267749421745
Energy: 0.9133999472426816
Energy: 1.148820975031887
Energy: 0.9129636250468249
Energy: 1.1488209750314762
Energy: 0.9129636250464138
Energy: 1.1488209750322982
Energy: 0.9129636250427151
Energy: 1.0244965003216915
Energy: 0.8297982838602637
Energy: 1.0244965003212807
Energy: 0.8297984675381926
Energy: 1.0244965003216915
Energy: 0.8297982940298553
Energy: 0.8411390628030895
Energy: 0.8362584856100619
Energy: 0.8411390628010347
Energy: 0.8362584856100619
Energy: 0.8411390628022675
Energy: 0.8362584856100619
Energy: 0.7996865632858777
Energy: 1.10221076910439
Energy: 0.7996865632850558
Energy: 1.102210769103568
Energy: 0.7996865632854668
Energy: 1.102210769105212
Energy: 1.0321238078644566
Energy: 0.7714928066239894
Energy: 1.0321238078619908
Energy: 0.7714928066256334
Energy: 1.032123807862402
Energy: 0.7714928066256334
Energy: 0.7997861612745912
Energy: 1.1018364091686916
Energy: 0.7997861612733583
Energy: 1.1018364091695136
Energy: 0.7997861612737692
Energy: 1.1018364091699246
Energy: 0.8411283175301097
Energy: 0.8366889628314568
Energy: 0.8411283175296989
Energy: 0.8366889628326898
Energy: 0.8411283175301097
Energy: 0.8366889628318679
Energy: 1.0247872363280133
Energy: 0.8295707621795909
Energy: 1.0247872363280133
Energy: 0.829570789213903
Energy: 1.0247872363280133
Energy: 0.829570823050123
Energy: 1.149065175276344
Energy: 0.871558989116885
Energy: 1.1490651752751113
Energy: 0.871558989116885
Energy: 1.1490651752759333
Energy: 0.8715589891164741
Energy: 0.820323993102187
Energy: 0.9133694896409494
Energy: 0.820323993102187
Energy: 0.9133694896405385
Energy: 0.8203239931017761
Energy: 0.9133694896405385
Energy: 0.9431769133901876
Energy: 0.9129495363723399
Energy: 0.9431769133901876
Energy: 0.912949536371929
Energy: 0.9431769133910095
Energy: 0.912949536371929
Energy: 0.9616795162771928
Energy: 0.8546573856707711
Energy: 0.9616795162771928
Energy: 0.854657385671593
Energy: 0.9616795162755489
Energy: 0.8546573856707711
Energy: 0.7932365150295811
Energy: 0.8212785970020046
Energy: 0.7932365150283481
Energy: 0.8212785970011826
Energy: 0.7932365150283481
Energy: 0.8212785970007715
Energy: 0.8550991461113765
Energy: 0.8318428354998666
Energy: 0.8550991461117875
Energy: 0.8318428354998666
Energy: 0.8550991461113765
Energy: 0.8318428354982226
Energy: 0.8588771586813453
Energy: 1.0547331560664774
Energy: 0.8588771586813453
Energy: 1.0547305010281656
Energy: 0.8588771586817562
Energy: 1.0547277401937838
Energy: 1.0647135339900473
Energy: 0.824264198827321
Energy: 1.0647135328566888
Energy: 0.824264198827321
Energy: 1.0647135330378168
Energy: 0.8242641988277322
Energy: 0.7953517069788066
Energy: 0.8603149973131071
Energy: 0.7953517069788066
Energy: 0.860314997313929
Energy: 0.7953517069783957
Energy: 0.8603149973143401
Energy: 0.869002760632091
Energy: 0.9147272862097038
Energy: 0.8690027606378448
Energy: 0.9147272854649413
Energy: 0.8690027606312692
Energy: 0.914727281293352
Energy: 0.9097500090123417
Energy: 0.831292122197674
Energy: 0.9097500090090539
Energy: 0.8312921221179821
Energy: 0.9097500090131637
Energy: 0.8312921220169194
Energy: 0.8413265764233588
Energy: 0.824210918134877
Energy: 0.8413265764250027
Energy: 0.824210918134877
Energy: 0.8413265764180161
Energy: 0.8242109181352881
Energy: 0.8531874782222898
Energy: 0.8376951441580024
Energy: 0.8531874782222898
Energy: 0.8376951441592354
Energy: 0.8531874782214678
Energy: 0.8376951441584134
Energy: 0.7956945282560661
Energy: 1.0941074585581474
Energy: 0.795694528256477
Energy: 1.0941074585737645
Energy: 0.7956945282560661
Energy: 1.0941074585548969
Energy: 0.9498845312552461
Energy: 0.8897684322592092
Energy: 0.9498845312441871
Energy: 0.8897684322571544
Energy: 0.949884531257301
Energy: 0.8897684322575653
Energy: 0.944009820006746
Energy: 0.8243229669591915
Energy: 0.9440098200071568
Energy: 0.8243229669596026
Energy: 0.9440098200071568
Energy: 0.8243229669596026
Energy: 0.9501074940212813
Energy: 0.8086349543376395
Energy: 0.9501074940488167
Energy: 0.8086349543372287
Energy: 0.9501074940479947
Energy: 0.8086349543376395
Energy: 0.796102012821611
Energy: 1.0939515925468861
Energy: 0.7961020128220219
Energy: 1.0939515925460641
Energy: 0.796102012821611
Energy: 1.0939515925468861
Energy: 0.8533544793599409
Energy: 0.8372906126911697
Energy: 0.8533544793611737
Energy: 0.8372906126907586
Energy: 0.8533544793607628
Energy: 0.8372906126911697
Energy: 0.8413700598593635
Energy: 0.8240702616298866
Energy: 0.8413700598622402
Energy: 0.8240702616298866
Energy: 0.8413700598601854
Energy: 0.8240702616294757

minimum gb energy = 0.7714928066239894 eV
minimum distance =  2.36589831636124 Angstroms
sigma value = 57


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

Energy: 1.0702230292982375
Energy: 0.9156139171977739
Energy: 0.41770412311589433
Energy: 0.9156139171977739
Energy: 1.070223029299173
Energy: 0.9156139171959028
Energy: 1.0271367431556642
Energy: 0.9068815948746178
Energy: 1.0271367431547287
Energy: 0.773467453960966
Energy: 1.0271367431556642
Energy: 0.9068815948764888
Energy: 0.9857068141017129
Energy: 1.052770577346405
Energy: 0.9857068141045195
Energy: 0.6675968649002912
Energy: 0.9857068141017129
Energy: 1.0527705773454694
Energy: 0.8851435118554112
Energy: 0.6573089935726754
Energy: 0.8851435118544757
Energy: 0.6415237275024916
Energy: 0.8851435118554112
Energy: 0.6573089935726754
Energy: 0.5598888583303485
Energy: 1.039300557603477
Energy: 0.5598888583312841
Energy: 1.0393005576044128
Energy: 0.5598888583312841
Energy: 1.0393005576044128
Energy: 0.8234261514232113
Energy: 0.9783601918576286
Energy: 0.41785533125159713
Energy: 0.9783601918576286
Energy: 0.8234261514232113
Energy: 0.9783601918566931
Energy: 0.8239389796615045
Energy: 0.4217440568613235
Energy: 0.4182777025886209
Energy: 0.42174405686319455
Energy: 0.8239389796615045
Energy: 0.42174405686319455
Energy: 1.038571948732703
Energy: 0.521154700304916
Energy: 1.038571948732703
Energy: 0.521154700304916
Energy: 1.038571948732703
Energy: 0.521154700304916
Energy: 0.9188619562166314
Energy: 0.6549640635041448
Energy: 0.9188619562147604
Energy: 0.6417601330035121
Energy: 0.9188619562156959
Energy: 0.6549640635022738
Energy: 0.44209781380662144
Energy: 0.9446700279251681
Energy: 0.44209781380662144
Energy: 0.9446700279242325
Energy: 0.44209781380755697
Energy: 0.944670027923297
Energy: 0.521902248665077
Energy: 1.0367298449729943
Energy: 0.521902248666948
Energy: 1.0367298449655102
Energy: 0.5219022486678836
Energy: 1.036729844979543
Energy: 1.0702230292982375
Energy: 0.9156139171968384
Energy: 0.41770412311589433
Energy: 0.9156139171968384
Energy: 1.070223029299173
Energy: 0.9156139171959028
Energy: 1.0271367431556642
Energy: 0.9068815948746178
Energy: 1.0271367431547287
Energy: 0.7734415000587652
Energy: 1.0271367431556642
Energy: 0.9068815948755533
Energy: 0.9857068141026484
Energy: 1.0527705773454694
Energy: 0.9857068141026484
Energy: 0.6675968648450951
Energy: 0.9857068141007773
Energy: 1.0527705773454694
Energy: 0.8851435118544757
Energy: 0.657308993573611
Energy: 0.8851435118544757
Energy: 0.6415237275024916
Energy: 0.8851435118544757
Energy: 0.657308993573611
Energy: 0.5598888583303485
Energy: 1.0393005576044128
Energy: 0.5598888583312841
Energy: 1.0393005576072194
Energy: 0.5598888583312841
Energy: 1.039300557606284
Energy: 0.8234261514260177
Energy: 0.9783601918576286
Energy: 0.41785533125159713
Energy: 0.9783601918576286
Energy: 0.8234261514232113
Energy: 0.9783601918576286
Energy: 0.8239389796605691
Energy: 0.4217440568622591
Energy: 0.4182777025886209
Energy: 0.4217440568613235
Energy: 0.8239389796624401
Energy: 0.4217440568622591
Energy: 1.0385719487317673
Energy: 0.521154700304916
Energy: 1.0385719487317673
Energy: 0.5211547003039804
Energy: 1.038571948732703
Energy: 0.521154700304916

minimum gb energy = 0.41770412311589433 eV
minimum distance =  2.41840822968003 Angstroms
sigma value = 11


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

Energy: 0.7092786473010155
Energy: 0.8808802464182642
Energy: 0.7092786473044419
Energy: 0.8808802464182642
Energy: 0.7092786473044419
Energy: 0.8808802464182642
Energy: 0.8778469409039884
Energy: 0.8501888641693305
Energy: 0.8778469408505977
Energy: 0.8501888641693305
Energy: 0.8778469407717889
Energy: 0.8501888641693305
Energy: 0.8995486409383163
Energy: 1.0609909741984054
Energy: 0.9545531478572843
Energy: 1.0609909741894965
Energy: 0.9047933241126607
Energy: 1.0609909741984054
Energy: 0.9849298341912434
Energy: 0.650314560948719
Energy: 0.9849298341898729
Energy: 0.650314560948719
Energy: 0.9849298341905581
Energy: 0.650314560948719
Energy: 0.8477511246836742
Energy: 0.6422415751728804
Energy: 0.8477511246836742
Energy: 0.6422415751701392
Energy: 0.8477511246836742
Energy: 0.6422415751721952
Energy: 0.8501520184509296
Energy: 0.7380218565161395
Energy: 0.8501520184509296
Energy: 0.7380218565147689
Energy: 0.8501520184509296
Energy: 0.7380218565147689
Energy: 0.614260922750085
Energy: 1.0768273590819282
Energy: 0.614260922750085
Energy: 1.0768273590812427
Energy: 0.6142609227493998
Energy: 1.0768273590805575
Energy: 0.9538158939714311
Energy: 0.6072435354408671
Energy: 0.9538158939700605
Energy: 0.6072435354401818
Energy: 0.9538158939707458
Energy: 0.6072435354401818
Energy: 0.9106983061129528
Energy: 0.6129331503401758
Energy: 0.9106983061067853
Energy: 0.6129331503401758
Energy: 0.9106983061150088
Energy: 0.6129331503401758
Energy: 0.6244410612103106
Energy: 1.089354366062243
Energy: 0.6244410612116811
Energy: 1.089354366062243
Energy: 0.6244410612096252
Energy: 1.089354366062243
Energy: 0.8292024096609751
Energy: 0.9509607255846382
Energy: 0.8292024096088929
Energy: 0.9509607255846382
Energy: 0.8292024096506958
Energy: 0.9509607255846382
Energy: 0.8474206063055245
Energy: 0.6251016505921255
Energy: 0.8474206063055245
Energy: 0.6251016506113137
Energy: 0.8474206063048393
Energy: 0.6251016506270755
Energy: 0.9505070590259982
Energy: 0.6343628396729005
Energy: 0.9505070590273689
Energy: 0.6343628396694742
Energy: 0.9505070590253129
Energy: 0.6343628396729005
Energy: 0.8863825929328089
Energy: 1.1822108541549472
Energy: 0.8863825929328089
Energy: 1.1822108541556327
Energy: 0.8863825929321236
Energy: 1.1822108541570033
Energy: 0.8757970793125897
Energy: 0.851844946722195
Energy: 0.8757970786125312
Energy: 0.8518449467215098
Energy: 0.8757970777679384
Energy: 0.8518449467215098
Energy: 0.710150044004246
Energy: 0.8806827910874035
Energy: 0.7101500440049314
Energy: 0.880682791086033
Energy: 0.7101500440035607
Energy: 0.8806827910867182
Energy: 0.8148284373670782
Energy: 0.851456095106567
Energy: 0.8148284373670782
Energy: 0.8514560951058817
Energy: 0.814828437366393
Energy: 0.851456095106567
Energy: 1.1291834176943465
Energy: 1.0880905791707243
Energy: 1.1291834176943465
Energy: 1.0880905791714097
Energy: 1.129183417695032
Energy: 1.088090579170039
Energy: 0.9807192603008612
Energy: 0.6448644660118115
Energy: 0.9807192603008612
Energy: 0.6448644660124968
Energy: 0.9807192602988054
Energy: 0.6448644660124968
Energy: 0.8477531668986923
Energy: 0.8240449489658898
Energy: 0.8477531668986923
Energy: 0.8240449489645192
Energy: 0.8477531668993775
Energy: 0.8240449489652044
Energy: 0.6272201587270413
Energy: 0.7411635115454839
Energy: 0.6272201587284119
Energy: 0.7411635115468543
Energy: 0.6272201587284119
Energy: 0.7411635115461691
Energy: 0.9053016804793756
Energy: 1.0641944775584902
Energy: 0.9053016804793756
Energy: 1.064194477557805
Energy: 0.9053016804793756
Energy: 1.0641944775584902
Energy: 0.7524835650100867
Energy: 0.8211391575195538
Energy: 0.7524835650121425
Energy: 0.8211391575216097
Energy: 0.7524835650094014
Energy: 0.8211391575195538
Energy: 0.927028060301579
Energy: 0.746980934434761
Energy: 0.9270280603022643
Energy: 0.746980934434761
Energy: 0.9270280603022643
Energy: 0.7469809344340758
Energy: 0.6279142836423288
Energy: 1.0931880953918416
Energy: 0.6279142836409582
Energy: 1.0931880953925268
Energy: 0.6279142836416436
Energy: 1.0931880953911564
Energy: 1.3109520662887124
Energy: 0.9564238284319527
Energy: 1.3109520662887124
Energy: 0.9564238284326381
Energy: 1.310952066288027
Energy: 0.9564238284312675

minimum gb energy = 0.6072435354401818 eV
minimum distance =  2.34135426377852 Angstroms
sigma value = 41


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

Energy: 0.7941979956815695
Energy: 0.7306997841188697
Energy: 0.7941979956821095
Energy: 0.7306997841188697
Energy: 0.7941979956826497
Energy: 0.7306997841188697
Energy: 0.9463700709697951
Energy: 1.1018083332693496
Energy: 0.9463700709681747
Energy: 1.1018083332693496
Energy: 0.9463700709670944
Energy: 1.1018083332693496
Energy: 1.073644733016128
Energy: 0.7929734145017309
Energy: 1.0736447330166679
Energy: 0.7929734145011906
Energy: 1.0736447330155876
Energy: 0.7929734145022709
Energy: 0.8642783408395106
Energy: 0.6965677123297191
Energy: 0.8642783408416711
Energy: 0.6965677123297191
Energy: 0.8642783408384304
Energy: 0.6965677123297191
Energy: 0.7060650154030986
Energy: 0.7635929097048924
Energy: 0.7060650154025585
Energy: 0.7635929097065127
Energy: 0.7060650154030986
Energy: 0.7635929097054324
Energy: 0.991399460922868
Energy: 1.0812347551600747
Energy: 0.9913994609223279
Energy: 1.0812347551589945
Energy: 0.991399460922868
Energy: 1.0812347551595345
Energy: 0.6678432297372527
Energy: 1.0484500600649973
Energy: 0.6678432297394132
Energy: 1.0484500600660773
Energy: 0.6678432297372527
Energy: 1.0484500600660773
Energy: 0.6480098711390375
Energy: 0.6965276945477472
Energy: 0.6480098711384974
Energy: 0.6965276945493676
Energy: 0.6480098711390375
Energy: 0.6965276945488275
Energy: 0.6444138475149501
Energy: 0.7555877419091194
Energy: 0.6444138475354749
Energy: 0.7555877419091194
Energy: 0.6444138475327743
Energy: 0.7555877419096595
Energy: 0.713789104833884
Energy: 1.1902333516302728
Energy: 0.7137891048328037
Energy: 1.1902333516313532
Energy: 0.713789104833884
Energy: 1.1902333516308128
Energy: 0.7146561891132399
Energy: 1.1851430319887588
Energy: 0.7146561891132399
Energy: 1.1851430319898388
Energy: 0.7146561891148603
Energy: 1.1851430319882184
Energy: 0.6447290101274681
Energy: 1.0381485102953052
Energy: 0.6447290101280081
Energy: 1.1071753926517205
Energy: 0.6447290101274681
Energy: 0.9469184637125504
Energy: 0.6479010998688107
Energy: 0.6976544643472719
Energy: 0.6479010996798642
Energy: 0.6976544643467318
Energy: 0.6479010997721769
Energy: 0.6976544643478121
Energy: 0.6260914426017773
Energy: 1.04739736787786
Energy: 0.6260914426017773
Energy: 1.04739736787786
Energy: 0.6260914426017773
Energy: 1.04739736787732
Energy: 0.7150574144348664
Energy: 1.0827212752190984
Energy: 0.7150574144359467
Energy: 1.0827212752185582
Energy: 0.7150574144348664
Energy: 1.0827212752190984
Energy: 0.6282997584859233
Energy: 1.0278960317402597
Energy: 0.6282997584864636
Energy: 1.0964323454139948
Energy: 0.6282997584859233
Energy: 0.6156245436587583
Energy: 0.6550934928412844
Energy: 0.697719415440185
Energy: 0.6550934928402041
Energy: 0.697719415440185
Energy: 0.6550934928407443
Energy: 0.697719415440185
Energy: 0.9573216667582766
Energy: 1.0985418539043856
Energy: 0.9573216667577366
Energy: 1.0985418539022251
Energy: 0.9573216667582766
Energy: 1.0985418539016847
Energy: 0.946799173901962
Energy: 1.0973525806884128
Energy: 0.9467991739008816
Energy: 1.0973525806889528
Energy: 0.9467991739030422
Energy: 1.0973525806889528
Energy: 0.7155110191504012
Energy: 0.8216381638762932
Energy: 0.7155110191509413
Energy: 0.8216381638762932
Energy: 0.7155110191514815
Energy: 0.8216381638762932
Energy: 0.6546894422826828
Energy: 0.9945548024883168
Energy: 0.654689442283763
Energy: 0.9945548024872366
Energy: 0.6546894422821425
Energy: 0.994554802488857
Energy: 1.0380179945009047
Energy: 1.3444888104685415
Energy: 1.0380179944998247
Energy: 1.344488810466921
Energy: 1.038017994501445
Energy: 1.3444888104680013
Energy: 0.8656741569701002
Energy: 0.705395630072196
Energy: 0.8656741569701002
Energy: 0.7053956300732763
Energy: 0.8656741569701002
Energy: 0.7053956300743566
Energy: 0.628573680144141
Energy: 0.8743525975987255
Energy: 0.6285736801463013
Energy: 1.0178387447389572
Energy: 0.6285736801436007
Energy: 0.8743525975987255
Energy: 0.6265876604033741
Energy: 1.115656929370614
Energy: 0.6265876604039142
Energy: 1.115656929371154
Energy: 0.6265876604033741
Energy: 1.115656929370614
Energy: 0.6681853261373542
Energy: 1.0294888041354118
Energy: 0.6681853261378943
Energy: 1.0294888041348715
Energy: 0.6681853261389744
Energy: 1.0294888041354118
Energy: 0.6468201468381521
Energy: 0.6967100983445502
Energy: 0.6468201468376119
Energy: 0.6967100983445502
Energy: 0.6468201468381521
Energy: 0.6967100983440101
Energy: 0.7086713047869831
Energy: 0.8691471312276572
Energy: 0.7086713047875232
Energy: 0.8691471312276572
Energy: 0.7086713047869831
Energy: 0.8691471312287374
Energy: 0.7144200216740806
Energy: 0.9714173493398299
Energy: 0.7144200216735405
Energy: 0.9714173493387497
Energy: 0.7144200216724603
Energy: 0.971417349344151
Energy: 1.037869209750824
Energy: 1.003123851488262
Energy: 1.0378692097502837
Energy: 1.003123851488262
Energy: 1.037869209750824
Energy: 1.003123851488262
Energy: 0.6443208853852053
Energy: 0.947290432909332
Energy: 0.6443208853868256
Energy: 0.947290432909332
Energy: 0.6443208853857455
Energy: 0.9472904329104123
Energy: 0.7115462771448677
Energy: 0.7695327735655422
Energy: 0.7115462771432474
Energy: 0.7695327735660823
Energy: 0.7115462771443276
Energy: 0.7695327735655422
Energy: 0.6266806376348459
Energy: 0.903388013480228
Energy: 0.6266806376348459
Energy: 0.9033880134796881
Energy: 0.6266806376343059
Energy: 0.903388013480228

minimum gb energy = 0.6156245436587583 eV
minimum distance =  2.33946765132805 Angstroms
sigma value = 33


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

Energy: 0.8272340245352308
Energy: 0.7287507928561995
Energy: 0.827234024536747
Energy: 0.7287507928573023
Energy: 0.8272340245352308
Energy: 0.7287507928561995
Energy: 0.7899897051477692
Energy: 0.6314537217688646
Energy: 0.7899897051492853
Energy: 0.6314537217692091
Energy: 0.7899897051465975
Energy: 0.6314537217684509
Energy: 1.0630170244363815
Energy: 1.1777273883287256
Energy: 1.0630170244378976
Energy: 1.1777273883097723
Energy: 1.0630170244363815
Energy: 1.1777273883158375
Energy: 0.7042624711728614
Energy: 0.677870231511465
Energy: 0.7042624711709315
Energy: 0.6778702315118096
Energy: 0.7042624711777549
Energy: 0.6778702315125678
Energy: 0.7709673495113456
Energy: 0.6780163102390636
Energy: 0.7709673495113456
Energy: 0.6780163102360312
Energy: 0.7709673495121038
Energy: 0.678016310249264
Energy: 1.1331248890652479
Energy: 0.6984621355562528
Energy: 1.1331248890648344
Energy: 0.6984621355589408
Energy: 1.1331248890629737
Energy: 0.6984621355566664
Energy: 0.6821714222342039
Energy: 0.7534896258638606
Energy: 0.6821714222342039
Energy: 0.7534896258635161
Energy: 0.6821714222345485
Energy: 0.7534896258627579
Energy: 0.7321605820638125
Energy: 0.7043456972632808
Energy: 0.7321605820653287
Energy: 0.7043456972610064
Energy: 0.7321605820649153
Energy: 0.7043456972636255
Energy: 1.1455539794908753
Energy: 0.754490735119075
Energy: 1.14555397949122
Energy: 0.7544907351187304
Energy: 1.14555397949122
Energy: 0.7544907351187304
Energy: 1.2085310951527597
Energy: 0.6510903782908172
Energy: 1.2085310951550339
Energy: 0.6510903782911619
Energy: 1.208531095154276
Energy: 0.6510903782934363
Energy: 0.7430795740805685
Energy: 0.7386712889240294
Energy: 0.7430795740760197
Energy: 0.7386712889236848
Energy: 0.7430795740824984
Energy: 0.7386712889217549
Energy: 1.328584870521363
Energy: 0.6775793403371128
Energy: 1.328584870521363
Energy: 0.6775793403405588
Energy: 1.3285848705209498
Energy: 0.6775793403405588
Energy: 0.762574436405849
Energy: 1.147450864569702
Energy: 0.7625744364047462
Energy: 1.1474508645715629
Energy: 0.7625744364047462
Energy: 1.147450864573079
Energy: 0.7029457905777763
Energy: 0.7320191437582045
Energy: 0.7029457905788791
Energy: 0.7320191437589627
Energy: 0.7029457905796372
Energy: 0.7320191437582045
Energy: 0.7236304025290998
Energy: 0.6772198634359542
Energy: 0.7236304025290998
Energy: 0.6772198634355406
Energy: 0.7236304025290998
Energy: 0.6772198634359542
Energy: 0.6988002434915676
Energy: 1.1126867233939886
Energy: 0.6988002434900513
Energy: 1.1126867233947466
Energy: 0.6988002434900513
Energy: 1.1126867233750353
Energy: 0.6935623099213014
Energy: 0.681422846535597
Energy: 0.6935623099258502
Energy: 0.6814228465371134
Energy: 0.6935623099300544
Energy: 0.6814228465351835
Energy: 0.6988867830427623
Energy: 0.7036302358099076
Energy: 0.6988867830431759
Energy: 0.7036302358132849
Energy: 0.6988867830420042
Energy: 0.7036302358148011
Energy: 1.1800393934774842
Energy: 1.0641845774928462
Energy: 1.1800393934816884
Energy: 1.0641845774928462
Energy: 1.1800393934801723
Energy: 1.0641845774939491
Energy: 1.150782287476733
Energy: 0.7080373272957645
Energy: 1.1507822874581934
Energy: 0.708037326974867
Energy: 1.1507822874521285
Energy: 0.7080373266437003
Energy: 0.7450181344052409
Energy: 0.7759874851935245
Energy: 0.7450181344026219
Energy: 0.7759874851897338
Energy: 0.7450181344037247
Energy: 0.7759874851916636
Energy: 0.6317421487930734
Energy: 0.7950866995785141
Energy: 0.6317421487941761
Energy: 0.7950866995739654
Energy: 0.6317421487938315
Energy: 0.7950866995789277
Energy: 0.7119095554401965
Energy: 0.6476056526380838
Energy: 0.7119095554412992
Energy: 0.6476056526380838
Energy: 0.7119095554397831
Energy: 0.6476056526407028
Energy: 0.6792665902685887
Energy: 0.7060836756366712
Energy: 0.6792665902708632
Energy: 0.7060836756343968
Energy: 0.6792665902720347
Energy: 0.7060836756378428
Energy: 0.6956516053901954
Energy: 0.6797765964004535
Energy: 0.6956516054091489
Energy: 0.6797765964031415
Energy: 0.6956516054012231
Energy: 0.6797765964001089
Energy: 0.7152483379394337
Energy: 1.1081308794776923
Energy: 0.7152483379397782
Energy: 1.108130879478106
Energy: 0.7152483379397782
Energy: 1.1081308794750733
Energy: 0.7919085782668196
Energy: 0.6883462796941631
Energy: 0.7919085782577221
Energy: 0.6883462796945077
Energy: 0.7919085782626154
Energy: 0.6883462796945077
Energy: 0.7755365340523634
Energy: 0.6803688624823887
Energy: 0.7755365340531217
Energy: 0.6803688624812171
Energy: 0.7755365340504338
Energy: 0.6803688624812171
Energy: 0.7089148707553202
Energy: 1.1475442899835886
Energy: 0.7089148673395121
Energy: 1.1475442899843469
Energy: 0.7089148623081203
Energy: 1.1475442899843469
Energy: 0.6807779495486042
Energy: 1.183577864455642
Energy: 0.6807779495497069
Energy: 1.183577864461707
Energy: 0.6807779495486042
Energy: 1.1835778644568136
Energy: 0.7031383695607573
Energy: 0.6924710226379293
Energy: 0.7031383695603437
Energy: 0.6924710226367576
Energy: 0.7031383695615154
Energy: 0.6924710226364129
Energy: 0.6782286681606613
Energy: 1.3429835158886305
Energy: 0.678228668159145
Energy: 1.3429835158890442
Energy: 0.678228668159145
Energy: 1.3429835158878727
Energy: 1.1500187345097477
Energy: 0.6991501961951865
Energy: 1.1500187345109194
Energy: 0.6991501961951865
Energy: 1.150018734508645
Energy: 0.6991501961940838
Energy: 0.7369611468709832
Energy: 0.7023261226670872
Energy: 0.7369611468740157
Energy: 0.7023261226648128
Energy: 0.7369611468694669
Energy: 0.7023261226655709
Energy: 0.7366374655102683
Energy: 0.7311538244594188
Energy: 0.7366374655079939
Energy: 0.7311538244560417
Energy: 0.7366374655031005
Energy: 0.7311538244552834
Energy: 1.14971621930213
Energy: 0.699096291023374
Energy: 1.1497162193009582
Energy: 0.6990962910252349
Energy: 1.1497162192986836
Energy: 0.6990962910203414
Energy: 0.6786561106176392
Energy: 1.3429119960647056
Energy: 0.6786561106168811
Energy: 1.3429119960658773
Energy: 0.6786561106168811
Energy: 1.3429119960647056
Energy: 0.7032356266791946
Energy: 0.6924581917842819
Energy: 0.7032356266780918
Energy: 0.6924581917842819
Energy: 0.7032356266833987
Energy: 0.6924581917838685
Energy: 0.6502923378947688
Energy: 1.1837835945470305
Energy: 0.6502923378958715
Energy: 1.1837835945470305
Energy: 0.6502923378947688
Energy: 1.183783594545859
Energy: 0.7090868905439106
Energy: 1.1474564237507923
Energy: 0.7090868890002806
Energy: 1.1474564237523084
Energy: 0.7090868869065208
Energy: 1.1474564237507923
Energy: 0.7753891794667552
Energy: 0.6807410965772913
Energy: 0.7753891794675133
Energy: 0.6807410965765333
Energy: 0.7753891794667552
Energy: 0.6807410965765333
Energy: 0.7920392236573996
Energy: 0.6636723325322323
Energy: 0.7920392236592604
Energy: 0.6636723325326458
Energy: 0.7920392236573996
Energy: 0.6636723325326458
Energy: 0.7153385684002889
Energy: 1.1079558554915199
Energy: 0.7153385684013917
Energy: 1.107955855493036
Energy: 0.715338568401047
Energy: 1.1079558554918645
Energy: 0.6957289401455035
Energy: 0.6835224786840897
Energy: 0.6957289401500523
Energy: 0.6835224786851923
Energy: 0.6957289401583917
Energy: 0.6835224786848477
Energy: 0.6790491151062281
Energy: 0.7038161555185133
Energy: 0.6790491151042983
Energy: 0.70381615551362
Energy: 0.6790491151042983
Energy: 0.7038161555177552
Energy: 1.10458598215327
Energy: 0.647318983583743
Energy: 1.1045859821543729
Energy: 0.647318983584501
Energy: 1.1045859821520985
Energy: 0.647318983584501
Energy: 0.6309104081109024
Energy: 0.7956755498359149
Energy: 0.6309104081097306
Energy: 0.7956755498351569
Energy: 0.6309104081101442
Energy: 0.7956755498347434

minimum gb energy = 0.6309104081097306 eV
minimum distance =  2.37329106974841 Angstroms
sigma value = 67


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

Energy: 0.9176968960922335
Energy: 0.7850310474205319
Energy: 0.9176968960922335
Energy: 0.7850310474205319
Energy: 0.9176968960922335
Energy: 0.7850310474205319
Energy: 0.8150878010112605
Energy: 0.6593173823830047
Energy: 0.8150878010087271
Energy: 0.6593173823830047
Energy: 0.8150878010112605
Energy: 0.6593173823855382
Energy: 0.663154315259866
Energy: 0.8720594702671972
Energy: 0.6656465108878038
Energy: 0.8720594702671972
Energy: 1.231927157999665
Energy: 0.8720594702671972
Energy: 0.8144758417300004
Energy: 0.6593656388765521
Energy: 0.8144758417300004
Energy: 0.6593656388765521
Energy: 0.8144758417300004
Energy: 0.6593656388740187
Energy: 0.9176968960922335
Energy: 0.7850310474205319
Energy: 0.9176968960922335
Energy: 0.7850310474205319
Energy: 0.9176968960922335
Energy: 0.7850310474205319
Energy: 0.8150878010112605
Energy: 0.6593173823830047
Energy: 0.8150878010112605
Energy: 0.6593173823830047
Energy: 0.8150878010112605
Energy: 0.6593173823830047
Energy: 0.6568561421915471
Energy: 0.8720594702671972
Energy: 0.6568561417255986
Energy: 0.8720594702671972
Energy: 0.6568561428398157
Energy: 0.8720594702671972

minimum gb energy = 0.6568561417255986 eV
minimum distance =  2.37148886401798 Angstroms
sigma value = 3


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

Energy: 0.8650876219918054
Energy: 0.9197848746761409
Energy: 0.8650876219125118
Energy: 0.9197848746761409
Energy: 0.8650876219814627
Energy: 0.9197848746761409
Energy: 0.9565353633377085
Energy: 0.7857552952871734
Energy: 0.9565353633446034
Energy: 0.7857552952871734
Energy: 0.9565353633411561
Energy: 0.7857552952871734
Energy: 1.031174588662191
Energy: 1.019940782556447
Energy: 1.031174588662191
Energy: 1.0199407819981943
Energy: 1.031174588662191
Energy: 1.01994078169155
Energy: 0.9555645422993788
Energy: 0.7519917372314211
Energy: 0.9562473474589882
Energy: 0.8147248035373955
Energy: 0.9556167460326161
Energy: 0.8450889716876311
Energy: 0.8559071765169608
Energy: 0.8241137877945515
Energy: 0.8559071765169608
Energy: 0.8230072921590802
Energy: 0.8559071765169608
Energy: 0.8232530572170229
Energy: 0.8386539399550079
Energy: 0.8294773908287078
Energy: 0.8386540283006888
Energy: 0.8294773908184279
Energy: 0.83865405739202
Energy: 0.8294773908115326
Energy: 0.9392755650340407
Energy: 0.8816204172868748
Energy: 0.9392755650374881
Energy: 0.881602014744317
Energy: 0.9392755650340407
Energy: 0.8816151679711043
Energy: 0.9540685997225488
Energy: 0.8114012288385566
Energy: 0.9540792251505193
Energy: 0.8625575632300496
Energy: 0.9541785945803816
Energy: 0.8674416143480096
Energy: 0.9073799882486846
Energy: 0.8071446773340614
Energy: 0.9073799882486846
Energy: 0.8122249006892805
Energy: 0.9073799882486846
Energy: 0.8114635708935999
Energy: 0.8538131010276916
Energy: 0.8257915133097462
Energy: 0.8538130337234309
Energy: 0.8257915133131939
Energy: 0.8538129919679831
Energy: 0.8257915133131939
Energy: 0.9512309446496313
Energy: 1.0225252090949117
Energy: 0.9512309446530788
Energy: 1.0225252090707788
Energy: 0.9512309446461837
Energy: 1.0225252090811214
Energy: 0.8251836503906593
Energy: 0.813223472609301
Energy: 0.8251836503837642
Energy: 0.8794497171877494
Energy: 0.8251836503872118
Energy: 0.8737895085576519
Energy: 0.8035261945046989
Energy: 0.8751844877916645
Energy: 0.7883233923394802
Energy: 0.8751844877882169
Energy: 0.7194357214748615
Energy: 0.8751844877882169
Energy: 0.8426975817139707
Energy: 0.8351040352725497
Energy: 0.8426975817174183
Energy: 0.8351040352966826
Energy: 0.8426975817243133
Energy: 0.8351040352346266
Energy: 0.9262458137974672
Energy: 1.0033278964358807
Energy: 0.9262458137974672
Energy: 1.0033278964358807
Energy: 0.9262458137974672
Energy: 1.0033278964358807
Energy: 0.8738211914243667
Energy: 0.857174601187756
Energy: 0.8738211914002338
Energy: 0.9769929641385368
Energy: 0.8738211914036814
Energy: 0.8626700035859578
Energy: 0.7993426197335041
Energy: 0.7596288762053997
Energy: 0.7996644827384152
Energy: 0.7596288762053997
Energy: 0.8002145413690832
Energy: 0.7596288762053997
Energy: 0.8976614787755919
Energy: 1.054969960091194
Energy: 0.8976614787755919
Energy: 1.054969960091194
Energy: 0.8976614787755919
Energy: 1.054969960091194
Energy: 0.9261795197088128
Energy: 0.7878314926119222
Energy: 0.926179519715708
Energy: 0.787815467390697
Energy: 0.9261795197019177
Energy: 0.7879339981876824
Energy: 0.8237317150153225
Energy: 0.8921884526357224
Energy: 0.8237317150118748
Energy: 0.948321158318278
Energy: 0.8237317150153225
Energy: 0.8133123292890766
Energy: 0.9946281918010412
Energy: 0.8265008544763142
Energy: 0.9946281917975939
Energy: 0.8265008545003844
Energy: 0.9946281917872511
Energy: 0.8265008545072795
Energy: 0.851225930718067
Energy: 0.9223288929680739
Energy: 0.851225930718067
Energy: 0.9223288929680739
Energy: 0.851225930718067
Energy: 0.9223288929646263
Energy: 1.0442798507304387
Energy: 0.8628788101852306
Energy: 1.0442798507338864
Energy: 0.8628788101852306
Energy: 1.0442798507407816
Energy: 0.8628788101852306
Energy: 0.7845635315217966
Energy: 0.7934506994949497
Energy: 0.7845635315252442
Energy: 0.9482515495797659
Energy: 0.7845635315252442
Energy: 0.8063381988159944
Energy: 0.784164379166252
Energy: 0.8899540430608056
Energy: 0.7839337468544908
Energy: 0.8899540430608056
Energy: 0.784000654741811
Energy: 0.8899540430608056
Energy: 0.8263510078048356
Energy: 0.941348807261459
Energy: 0.8263510078048356
Energy: 0.9413488072062981
Energy: 0.8263510078082834
Energy: 0.9413488072718016
Energy: 0.8447405182580153
Energy: 0.7763853516772431
Energy: 0.8447405182442252
Energy: 0.7769151799329699
Energy: 0.844740518254568
Energy: 0.7778892033084002
Energy: 0.8352669226997218
Energy: 0.8350472548535113
Energy: 0.8352669227031694
Energy: 0.8409371353629106
Energy: 0.8352669226997218
Energy: 0.7685255878208197
Energy: 0.8406236255255604
Energy: 0.7594227152402419
Energy: 0.8406236538311629
Energy: 0.7594227152436893
Energy: 0.8406236313941108
Energy: 0.7594227152402419
Energy: 0.8751818532483906
Energy: 0.8804422222733428
Energy: 0.8751818532863136
Energy: 0.8804422222733428
Energy: 0.8751818532725234
Energy: 0.8804422222733428
Energy: 0.8433267584888333
Energy: 0.8784882395833112
Energy: 0.843326758481938
Energy: 0.8784882395798639
Energy: 0.8433267584888333
Energy: 0.8784882395764162
Energy: 0.8417585927056951
Energy: 0.7877324274399092
Energy: 0.8417585927056951
Energy: 0.7877324274364617
Energy: 0.8417585927125902
Energy: 0.7877324274364617
Energy: 0.8374024717957036
Energy: 0.7999145021110539
Energy: 0.8374024717957036
Energy: 0.8031677615230665
Energy: 0.837402471792256
Energy: 0.8047091870090304
Energy: 0.8757764672101623
Energy: 0.7789809423172147
Energy: 0.8757764672136101
Energy: 0.7814321196432118
Energy: 0.8757764672101623
Energy: 0.7808050972455083
Energy: 0.7884579838103216
Energy: 0.9408575498568693
Energy: 0.7884579838137693
Energy: 0.9408575498431418
Energy: 0.7884579838137693
Energy: 0.9408575498568693
Energy: 0.8397971684712957
Energy: 0.8296261444149077
Energy: 0.8397971661900183
Energy: 0.8296261444183551
Energy: 0.839797174870581
Energy: 0.8296261444149077
Energy: 0.7851423496572023
Energy: 0.8074288119644574
Energy: 0.7851423496572023
Energy: 0.8087711211994641
Energy: 0.7851423496606499
Energy: 0.8089853876128263
Energy: 1.0999967510218764
Energy: 0.8695020987060132
Energy: 1.0999967510253237
Energy: 0.8695020987060132
Energy: 1.0999967510253237
Energy: 0.8695020987060132
Energy: 0.7580930372321694
Energy: 0.9230521766832377
Energy: 0.7580930372356168
Energy: 0.9230521766763427
Energy: 0.7580930372356168
Energy: 0.9230521766763427
Energy: 0.9893731909454401
Energy: 0.8288519664688632
Energy: 0.9893731909488875
Energy: 0.8291707212131276
Energy: 0.9893731909454401
Energy: 0.8291706907812626
Energy: 0.8263975690828973
Energy: 1.114249677177594
Energy: 0.8263975690794498
Energy: 1.1142496771810413
Energy: 0.8263975690828973
Energy: 1.114249677177594
Energy: 0.9791071579696807
Energy: 0.8226314393097085
Energy: 0.9791071579696807
Energy: 0.8226314393097085
Energy: 0.9791071579731282
Energy: 0.8226314393097085
Energy: 0.8022243430492882
Energy: 1.0538544118923927
Energy: 0.8022243430527358
Energy: 1.0538544118958402
Energy: 0.8022243430492882
Energy: 1.0538544118923927
Energy: 0.7882346309523931
Energy: 0.7877282129922166
Energy: 0.7911371122151578
Energy: 0.7877282129888318
Energy: 0.794215331050526
Energy: 0.7877282129922166
Energy: 0.8856536770376857
Energy: 0.8262294342734051
Energy: 0.8856536770274057
Energy: 0.82622943426651
Energy: 0.8856536770411332
Energy: 0.8262294342699575
Energy: 0.9229821002092335
Energy: 0.8692130811170291
Energy: 0.9229821008846406
Energy: 0.9163595526896052
Energy: 0.9229821019770135
Energy: 0.80952763557312
Energy: 0.8504116550229098
Energy: 0.8258685723316724
Energy: 0.8504116550229098
Energy: 0.8258685723695957
Energy: 0.8504116550229098
Energy: 0.8258685723764908
Energy: 0.8119041366209606
Energy: 0.8400965338045172
Energy: 0.8124598579970964
Energy: 0.8400965338079649
Energy: 0.8145040859143199
Energy: 0.8400965338079649
Energy: 0.8251354582100924
Energy: 0.8051157052102034
Energy: 0.8251354582135398
Energy: 0.8051637946992566
Energy: 0.8251354582273301
Energy: 0.8049054505391268
Energy: 0.9421122053322855
Energy: 0.8252821221006837
Energy: 0.9421122053288381
Energy: 0.8252821221110264
Energy: 0.9421122053288381
Energy: 0.8252821221144738
Energy: 0.8531808788025268
Energy: 0.8264039627814064
Energy: 0.8531810245245186
Energy: 0.826403961709656
Energy: 0.8531810174325882
Energy: 0.8264039611617457

minimum gb energy = 0.7194357214748615 eV
minimum distance =  2.35388681552784 Angstroms
sigma value = 81


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

Energy: 1.0820330783762202
Energy: 1.037094452259361
Energy: 1.0466402393663738
Energy: 1.037094452688356
Energy: 1.082033078374801
Energy: 1.0370944524703098
Energy: 1.0414963135555022
Energy: 1.0375872491509681
Energy: 1.0414963135531365
Energy: 1.0360642735036099
Energy: 1.0414963135545559
Energy: 1.0375872491500218
Energy: 1.002445197088202
Energy: 0.992030797430297
Energy: 0.9856803357130792
Energy: 0.9920307974321897
Energy: 1.0024452610274928
Energy: 0.992030797432663
Energy: 0.9066078025874775
Energy: 0.9489468130281575
Energy: 0.9066078025884238
Energy: 0.9489468130267379
Energy: 0.9066078025879505
Energy: 0.9489468130291039
Energy: 1.127667145119337
Energy: 0.8865031612207465
Energy: 1.1276671451198101
Energy: 0.8865031612216927
Energy: 1.1276671451198101
Energy: 0.8865031612226391
Energy: 0.9704624192835838
Energy: 0.9722873884300406
Energy: 0.9704624192745935
Energy: 0.8903476841901184
Energy: 0.9704624192774327
Energy: 0.9722873884309869
Energy: 0.8629905509593282
Energy: 0.9730417314423807
Energy: 0.8629905509607477
Energy: 0.8910863125816336
Energy: 0.8629905509631135
Energy: 0.9730417314419075
Energy: 1.03323525734079
Energy: 1.0111463831923562
Energy: 1.0444173141450594
Energy: 1.011146383193776
Energy: 1.0332352573403167
Energy: 1.0111463831928293
Energy: 0.9123482775248437
Energy: 0.8009633613081005
Energy: 0.9123456354347949
Energy: 0.8009591763733914
Energy: 0.9123472941244497
Energy: 0.8009622509107304
Energy: 1.0124927430690485
Energy: 1.172829004666582
Energy: 1.0124927430718875
Energy: 1.172829004666582
Energy: 1.0124927430685753
Energy: 1.1728290046680014
Energy: 1.0245134610641136
Energy: 0.9974425011232556
Energy: 1.0245132477615113
Energy: 0.9974425011218361
Energy: 1.0245140538082196
Energy: 0.9974425011232556
Energy: 0.9802264958189005
Energy: 0.9978314751700312
Energy: 0.9777081444553993
Energy: 0.9843431121094124
Energy: 0.9802264958160616
Energy: 0.9978314738996498
Energy: 1.079035863645722
Energy: 1.0947751858745307
Energy: 1.0790358636461952
Energy: 1.0950058013659538
Energy: 1.0790358636443023
Energy: 1.0947751858735841
Energy: 0.9398150594782899
Energy: 0.9535407669064788
Energy: 0.9398150594763973
Energy: 0.9535407669060056
Energy: 0.9398150594768704
Energy: 0.9535407669060056
Energy: 0.9354778673058063
Energy: 0.9427553795398584
Energy: 0.9354778673029673
Energy: 0.9427553795408049
Energy: 0.9354778673043868
Energy: 0.9427553795393853
Energy: 1.0437401543878235
Energy: 0.7960631232852938
Energy: 1.0437401543887699
Energy: 0.7960631232881327
Energy: 1.0437401543882967
Energy: 0.7960631232867134
Energy: 1.1043914024312065
Energy: 0.8924277531525654
Energy: 1.1041318833023834
Energy: 0.94961688575959
Energy: 1.1043914024312065
Energy: 0.8924277531535119
Energy: 0.909518457457237
Energy: 1.1476590919688348
Energy: 0.916801690625964
Energy: 1.1476590919678884
Energy: 0.9095184574581835
Energy: 1.1476590919688348
Energy: 0.946559199976996
Energy: 0.9445180460822727
Energy: 0.9465591999774691
Energy: 0.9678205242111036
Energy: 0.946559199976996
Energy: 0.9445180584175719
Energy: 0.9241138016950053
Energy: 1.1545853345117145
Energy: 0.9241132689513755
Energy: 1.1545853345098216
Energy: 0.9241141530401443
Energy: 1.1545853345079293
Energy: 0.9018351911667872
Energy: 1.1065864968576284
Energy: 0.9018351911667872
Energy: 1.1065864968557355
Energy: 0.90183519116868
Energy: 1.1065864968562087
Energy: 1.011807375480441
Energy: 0.9994663184472583
Energy: 0.837440993666676
Energy: 0.9994663184444192
Energy: 1.011807375479968
Energy: 0.999466318446785
Energy: 1.0128119389145729
Energy: 0.925949752239423
Energy: 0.8373149835194624
Energy: 0.9259497522389498
Energy: 1.0128119389131534
Energy: 0.9259497522398961
Energy: 1.041561447810177
Energy: 1.105675061311331
Energy: 1.0415614478097037
Energy: 1.1057342079000125
Energy: 1.0415614478082842
Energy: 1.1056750613127506
Energy: 0.795884854267013
Energy: 0.9112813315748477
Energy: 0.795884860044704
Energy: 0.9112174967411619
Energy: 0.7958848567533611
Energy: 0.9119066219217274
Energy: 1.0121763100999053
Energy: 0.9449366089009604
Energy: 1.012176310099432
Energy: 0.9449368844704478
Energy: 1.0121763100984857
Energy: 0.9449367874574071
Energy: 0.9116570538413324
Energy: 0.9063058473730884
Energy: 0.9116570538413324
Energy: 0.9063058473754544
Energy: 0.9116570538422787
Energy: 0.9063058473740349
Energy: 0.971103797057369
Energy: 0.9518554618191446
Energy: 0.9711045690853165
Energy: 0.8926379464595695
Energy: 0.9711051778320646
Energy: 0.9518554618470617
Energy: 1.0423045144091956
Energy: 1.053202119117132
Energy: 1.0334933545192972
Energy: 1.0532021191166587
Energy: 1.0423045144087222
Energy: 1.0532021191157124
Energy: 0.9530420540349024
Energy: 0.9338003407124134
Energy: 0.9530420540287512
Energy: 0.9380948770861912
Energy: 0.9530420540467316
Energy: 0.9338003407124134
Energy: 0.9486343234178758
Energy: 0.9343736363990415
Energy: 0.9486343234188221
Energy: 0.9343736364070854
Energy: 0.9486343234192953
Energy: 0.9343736364014072
Energy: 0.8775224997047772
Energy: 1.1054324080083242
Energy: 0.8775224997033577
Energy: 1.1054324080083242
Energy: 0.8775224997047772
Energy: 1.105432408010217
Energy: 0.9785833826507095
Energy: 1.050734234314344
Energy: 0.977873118696099
Energy: 1.0388050262657609
Energy: 0.978583382648817
Energy: 1.0507342342911585
Energy: 1.0806733516034868
Energy: 0.9486911775174913
Energy: 1.0789295128346934
Energy: 0.9492045463157945
Energy: 1.080673351598282
Energy: 0.9486911775174913
Energy: 0.9839602759403819
Energy: 1.1191645914623656
Energy: 1.0032287691294115
Energy: 1.1191645914590536
Energy: 0.9839602759394357
Energy: 1.1191645914566875
Energy: 0.7855501831015399
Energy: 0.9177971837513232
Energy: 0.7855636530675705
Energy: 0.9177971853258253
Energy: 0.7853840187948584
Energy: 0.9177971896534154
Energy: 1.0338187638594905
Energy: 0.8800340166000481
Energy: 1.0338187638580711
Energy: 0.8800340166000481
Energy: 1.0338187638585443
Energy: 0.8800340165986285
Energy: 0.9871530560257883
Energy: 0.8889870434735133
Energy: 0.9871530560248418
Energy: 0.9700853821261743
Energy: 0.9871530560272077
Energy: 0.8889870434711473

minimum gb energy = 0.7853840187948584 eV
minimum distance =  2.35920701315988 Angstroms
sigma value = 43


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

Energy: 1.1583734977139781
Energy: 0.9127606986243008
Energy: 1.1583734977133968
Energy: 0.9127606986243008
Energy: 1.1583734977133968
Energy: 0.9127606986243008
Energy: 0.9802999010438832
Energy: 0.8073710365170077
Energy: 0.9802999010433019
Energy: 0.8073710365164265
Energy: 0.9802999010427207
Energy: 0.8073710365170077
Energy: 0.9675312135475896
Energy: 1.117397025359694
Energy: 0.9675312135475896
Energy: 1.1173970253614376
Energy: 0.9169337059392079
Energy: 1.117397025359694
Energy: 0.9602236405167683
Energy: 0.8121749466832026
Energy: 0.9602236405179307
Energy: 0.8121749466768095
Energy: 0.9602236405208369
Energy: 0.8121749466820403
Energy: 0.9471440765093543
Energy: 0.8608308225734975
Energy: 0.9471440765093543
Energy: 0.860830822577566
Energy: 0.9471440765093543
Energy: 0.8608308225827969
Energy: 0.840848628224483
Energy: 0.884049597179497
Energy: 0.8408486282239017
Energy: 0.884049597179497
Energy: 0.8408486282233205
Energy: 0.8840495971783346
Energy: 0.917011346111887
Energy: 1.0674476092476697
Energy: 0.9170113461223486
Energy: 1.067447609248832
Energy: 0.9170113461235109
Energy: 1.067447609248832
Energy: 0.8665461019148439
Energy: 0.8549079486071783
Energy: 0.8665461019154251
Energy: 0.8549078451337355
Energy: 0.8665461019142628
Energy: 0.8549072324687361
Energy: 0.8352754695352164
Energy: 0.7659290486545902
Energy: 0.8093694618799571
Energy: 0.7659290486551714
Energy: 0.8098515905487041
Energy: 0.765929048654009
Energy: 0.7772578642416258
Energy: 1.039221127782965
Energy: 0.7772578642410446
Energy: 1.039221127782965
Energy: 0.7772578642340701
Energy: 1.039221127782965
Energy: 0.966924336721699
Energy: 0.9254320387036001
Energy: 0.9669243367222802
Energy: 0.925432038703019
Energy: 0.9669243367228615
Energy: 0.9254320387041816
Energy: 0.8662297262078928
Energy: 0.7831161454595856
Energy: 0.8662297262078928
Energy: 0.7831021650333531
Energy: 0.8662297262078928
Energy: 0.7833088994829539
Energy: 1.0129889988364325
Energy: 0.8751775102607879
Energy: 1.0129889988364325
Energy: 0.8751775102480278
Energy: 1.0129889988358511
Energy: 0.8751775102561383
Energy: 0.763875183000125
Energy: 1.0518455803678985
Energy: 0.7638751830024499
Energy: 1.0518455803684799
Energy: 0.7638751830036123
Energy: 1.0518455803684799
Energy: 0.8133168259885374
Energy: 0.8530847393515828
Energy: 0.8133168259833062
Energy: 0.8530847393521641
Energy: 0.8133168259862125
Energy: 0.8530847393527453
Energy: 0.8605070438841361
Energy: 0.8264564803442597
Energy: 0.8605070438841361
Energy: 0.7934367068515012
Energy: 0.8605070438852985
Energy: 0.7936928222554113
Energy: 0.8107317164250649
Energy: 0.8063038649112808
Energy: 0.8110489836178171
Energy: 0.8063038649106997
Energy: 0.8106270265690727
Energy: 0.8063038649106997
Energy: 0.8967511935104765
Energy: 0.8705605905792024
Energy: 0.8967511935087329
Energy: 0.8705605905786211
Energy: 0.8967511935011772
Energy: 0.8705605905809459
Energy: 0.8833529527880349
Energy: 0.8540161136621606
Energy: 0.8833529528333428
Energy: 0.8540161136644854
Energy: 0.8833529528339239
Energy: 0.8540161136609979
Energy: 0.9140015982144024
Energy: 0.8061332779870033
Energy: 0.9140014634463814
Energy: 0.8061332779875846
Energy: 0.9140009039062909
Energy: 0.8061332779870033
Energy: 0.8603633003088522
Energy: 0.8286402041029658
Energy: 0.8603633003088522
Energy: 0.8286402041029658
Energy: 0.860363300308271
Energy: 0.8286402041029658
Energy: 1.016563338677068
Energy: 0.7167516025502394
Energy: 1.0165663790476263
Energy: 0.717092741330913
Energy: 1.016568885543864
Energy: 0.7174477854919645
Energy: 0.7627409750532583
Energy: 1.0041074886965093
Energy: 0.7627409750538395
Energy: 1.0041074886970902
Energy: 0.7627409750538395
Energy: 1.0041074886941843
Energy: 1.0093465814475864
Energy: 0.8814881678839808
Energy: 1.0093465814493303
Energy: 0.8814881678839808
Energy: 1.0093465814470055
Energy: 0.8814881678845619
Energy: 0.8656346245558816
Energy: 0.8457150074581228
Energy: 0.8656346245558816
Energy: 0.8457150074546357
Energy: 0.8656346245553004
Energy: 0.8457150074557981
Energy: 1.0412542519627779
Energy: 0.983292587365964
Energy: 1.0412542519627779
Energy: 0.983292587365964
Energy: 1.0412542519621968
Energy: 0.9832925873665453
Energy: 0.8346799683963736
Energy: 0.8070302361410008
Energy: 0.8346799683975359
Energy: 0.8070302361410008
Energy: 0.834679968398117
Energy: 0.8070302361410008
Energy: 0.8118215390809536
Energy: 0.7651516465375449
Energy: 0.8116305594386796
Energy: 0.7651516465363825
Energy: 0.8118520382145622
Energy: 0.7651516465363825
Energy: 0.8659139560963468
Energy: 0.85621596031686
Energy: 0.8659139560963468
Energy: 0.8562159575707086
Energy: 0.8659139560963468
Energy: 0.8562159568526533
Energy: 1.042473417904076
Energy: 0.9611172834004418
Energy: 1.042473417904076
Energy: 0.9611172834004418
Energy: 1.042473417904076
Energy: 0.9611172833986982
Energy: 0.8402849459633855
Energy: 0.884939461770072
Energy: 0.8402849459622231
Energy: 0.8849394617712344
Energy: 0.8402849459633855
Energy: 0.8849394617694909

minimum gb energy = 0.7167516025502394 eV
minimum distance =  2.36842007482133 Angstroms
sigma value = 57


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

Energy: 1.0046176273050473
Energy: 0.8495071016652771
Energy: 1.0046176273057998
Energy: 0.8495071016645246
Energy: 1.004617627303542
Energy: 0.8495071016667822
Energy: 0.9005363145296507
Energy: 0.7333547507683491
Energy: 0.9005363145288979
Energy: 0.7333547507683491
Energy: 0.9005363145296507
Energy: 0.7333547507675964
Energy: 0.8159118293644075
Energy: 1.0153125489593198
Energy: 0.8159118293644075
Energy: 1.0153125489608248
Energy: 0.8159118293621499
Energy: 1.015312548954052
Energy: 1.0726916548843757
Energy: 0.7371348163668683
Energy: 1.0726916548858807
Energy: 0.8550293685232506
Energy: 1.0726916548851282
Energy: 0.7373290410893861
Energy: 0.9878710137466787
Energy: 0.8668978530504274
Energy: 0.9878710137459263
Energy: 0.8668920729161024
Energy: 0.9878710137459263
Energy: 0.8668769160053152
Energy: 0.824115340402097
Energy: 0.7307997629897954
Energy: 0.824115340403602
Energy: 0.7307997629897954
Energy: 0.824115340403602
Energy: 0.7307997629897954
Energy: 0.8165179344481966
Energy: 1.0088912045049812
Energy: 0.816517934454217
Energy: 1.0088912045049812
Energy: 0.8165179344707728
Energy: 1.0088912045057334
Energy: 0.9039620249246031
Energy: 0.8456480918753587
Energy: 0.9039620249246031
Energy: 0.8456480918753587
Energy: 0.9039620249253557
Energy: 0.8456480918761113
Energy: 0.9557267340128519
Energy: 0.7314130809049908
Energy: 0.9557267340120994
Energy: 0.7314130809064959
Energy: 0.9557267340128519
Energy: 0.7314130809057433
Energy: 0.6666887265462079
Energy: 1.0384561243830503
Energy: 0.6666887265454555
Energy: 1.0403208372767792
Energy: 0.6666887265462079
Energy: 0.9011268133462146
Energy: 0.894817673845849
Energy: 0.8508100446748476
Energy: 0.8948176738443439
Energy: 0.8508100446748476
Energy: 0.894817673845849
Energy: 0.8508100446756
Energy: 0.8953664549871831
Energy: 1.0334921143863263
Energy: 0.8953664548201878
Energy: 1.0334921143870788
Energy: 0.8953664549503088
Energy: 1.0334921143863263
Energy: 0.7793709000810582
Energy: 0.7313262420274509
Energy: 0.7793707461679137
Energy: 0.7313262420274509
Energy: 0.7793711421707039
Energy: 0.7313262420266984
Energy: 0.8976028524429861
Energy: 0.8539875602072764
Energy: 0.8976028523722817
Energy: 0.922349260024334
Energy: 0.8976028523715291
Energy: 0.8419881073833884
Energy: 0.7800163252167437
Energy: 0.734246188985541
Energy: 0.7800163252016928
Energy: 0.734246188985541
Energy: 0.7800163252190012
Energy: 0.734246188985541
Energy: 0.936551538196666
Energy: 0.872547590269721
Energy: 0.936551538196666
Energy: 0.8725475902712261
Energy: 0.936551538196666
Energy: 0.872547590269721
Energy: 0.6653653621460691
Energy: 0.9008617248911771
Energy: 0.6653653621468217
Energy: 0.9008617248911771
Energy: 0.665365362152842
Energy: 0.9008617248919298
Energy: 0.8935263861520089
Energy: 0.8429701711076931
Energy: 0.8935263861527613
Energy: 1.072193934068731
Energy: 0.8935263861512563
Energy: 0.7881376336720648
Energy: 0.6651244458934632
Energy: 0.9009203832227791
Energy: 0.6651244458934632
Energy: 0.9009203832227791
Energy: 0.6651244458942158
Energy: 0.9009203832220266
Energy: 0.936352701017634
Energy: 0.8729987668753935
Energy: 0.9363527010168815
Energy: 0.8729987668753935
Energy: 0.9363527010183865
Energy: 0.8729987668753935
Energy: 0.7758816713765854
Energy: 0.7363842438978546
Energy: 0.7758816713043758
Energy: 0.7363842438978546
Energy: 0.7758816711765126
Energy: 0.7363842438978546
Energy: 0.8979005632357102
Energy: 0.8964685167392348
Energy: 0.8979005630536985
Energy: 0.8964685167362244
Energy: 0.897900563096559
Energy: 0.8964685167399872
Energy: 0.777403503672582
Energy: 0.7310470799487887
Energy: 0.7773937758797017
Energy: 0.7310470799555615
Energy: 0.7776450288268068
Energy: 0.7310470799540564
Energy: 0.8943409842497932
Energy: 1.0338771875881991
Energy: 0.8943409842558135
Energy: 1.0338771875874468
Energy: 0.8943409842445252
Energy: 1.0338771875874468

minimum gb energy = 0.6651244458934632 eV
minimum distance =  2.32289875177663 Angstroms
sigma value = 17


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

Energy: 0.9486689806751015
Energy: 0.8330075583296687
Energy: 0.9486689806719086
Energy: 0.8330075583296687
Energy: 0.9486689806591377
Energy: 0.8330075583296687
Energy: 0.798514044781937
Energy: 0.7540735683829192
Energy: 0.7985140447808726
Energy: 0.7540735683829192
Energy: 0.7985140447808726
Energy: 0.7540735683829192
Energy: 0.8222330609617204
Energy: 0.9471947028992509
Energy: 0.8222330609617204
Energy: 0.9471947028971225
Energy: 0.8222330609617204
Energy: 0.9471947028971225
Energy: 0.6322112396033448
Energy: 0.7140234385214664
Energy: 0.6322112396076018
Energy: 0.7144587617479012
Energy: 0.6322112396044091
Energy: 0.7146286679668155
Energy: 0.722264195091528
Energy: 0.841566596094736
Energy: 0.7222641950883352
Energy: 0.8415665961043143
Energy: 0.7222641950851423
Energy: 0.841566596081965
Energy: 0.7212245881399723
Energy: 0.7543578015758226
Energy: 0.7212245881399723
Energy: 0.7543578015758226
Energy: 0.721224588137892
Energy: 0.7543578015768868
Energy: 0.6865399124572372
Energy: 0.7606757850762902
Energy: 0.6865399124572372
Energy: 0.7606757850752259
Energy: 0.6865399124572372
Energy: 0.7606757850752259
Energy: 0.6316002626793437
Energy: 0.7506292318346962
Energy: 0.6316002629442454
Energy: 0.7504929626423625
Energy: 0.631600267848265
Energy: 0.750143583874257
Energy: 0.7168727522879105
Energy: 0.75445351223563
Energy: 0.7168727522879105
Energy: 0.75445351223563
Energy: 0.7168727522868461
Energy: 0.7544535122366942
Energy: 0.85211748770908
Energy: 0.7820550329987527
Energy: 0.8521174877048231
Energy: 0.7820550329987527
Energy: 0.8521174877026946
Energy: 0.7820550329987527
Energy: 0.7907970862410518
Energy: 0.7739271346970893
Energy: 0.7907970862399877
Energy: 0.773927134696025
Energy: 0.7907970862410518
Energy: 0.7739271347002821
Energy: 0.67035117369483
Energy: 0.7550548320667494
Energy: 0.6706842790355325
Energy: 0.7550548320678137
Energy: 0.6710854272762558
Energy: 0.7550548320688779
Energy: 0.6856231943350892
Energy: 0.8856833538624999
Energy: 0.6856231943350892
Energy: 0.8856833538614356
Energy: 0.6856231943350892
Energy: 0.8856833538614356
Energy: 0.8429425437763294
Energy: 0.7231629043368893
Energy: 0.8429425437763294
Energy: 0.7231629043358251
Energy: 0.8429425437763294
Energy: 0.7231629043358251
Energy: 0.7764110359762645
Energy: 0.7619324187376991
Energy: 0.7764110359762645
Energy: 0.7619324187376991
Energy: 0.7764110359773286
Energy: 0.7619324187355706
Energy: 0.7122222138910632
Energy: 0.9033191823376875
Energy: 0.7122222138910632
Energy: 0.9033191823387519
Energy: 0.7122222138910632
Energy: 0.9033191823376875
Energy: 0.8410990510615941
Energy: 0.8776192638106219
Energy: 0.8410990510626583
Energy: 0.8776192638106219
Energy: 0.8410990510605298
Energy: 0.8776192638106219

minimum gb energy = 0.6316002626793437 eV
minimum distance =  2.31647056302614 Angstroms
sigma value = 17


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

Energy: 0.9100491767452232
Energy: 0.7444935159844639
Energy: 0.910049176747278
Energy: 0.7444935159861078
Energy: 0.9100491767460452
Energy: 0.7444935159869297
Energy: 0.7596703412713005
Energy: 0.703247731697028
Energy: 0.7596703412713005
Energy: 0.703247731697028
Energy: 0.7596703412688348
Energy: 0.703247731697028
Energy: 0.7655923204225041
Energy: 0.7794789456895295
Energy: 0.765592320423326
Energy: 0.7794789456911734
Energy: 0.7655923204200383
Energy: 0.7794789456887076
Energy: 0.68366963441138
Energy: 0.8066298488848356
Energy: 0.6836696344130239
Energy: 0.8066298488844245
Energy: 0.6836696344109691
Energy: 0.8066298488856575
Energy: 0.8821651497941096
Energy: 0.7067341957850879
Energy: 0.8821651497945205
Energy: 0.7067341957859098
Energy: 0.8821651497949317
Energy: 0.7067341957854989
Energy: 0.8192217864892135
Energy: 0.7343237357262727
Energy: 0.8192217864892135
Energy: 0.7343237357262727
Energy: 0.8192217864888024
Energy: 0.7343237357266837
Energy: 0.7584662450086167
Energy: 0.7428835557601844
Energy: 0.7584662450094386
Energy: 0.7428835557610063
Energy: 0.7584662450110825
Energy: 0.7428835557630612
Energy: 0.768682751665427
Energy: 0.7887896463007715
Energy: 0.768682751665838
Energy: 0.7887896463061141
Energy: 0.7686827516650161
Energy: 0.7887896463061141
Energy: 0.7862374123803594
Energy: 0.8068423042951485
Energy: 0.7862374123799484
Energy: 0.8068423042807643
Energy: 0.7862374123791265
Energy: 0.8068423042922716
Energy: 0.759008610805594
Energy: 0.6540868561445519
Energy: 0.7590086108027171
Energy: 0.6540868561449629
Energy: 0.7590086108076488
Energy: 0.6540868561453739
Energy: 0.683602567575556
Energy: 0.7461245488132016
Energy: 0.683602567575145
Energy: 0.7457381142306722
Energy: 0.683602567575556
Energy: 0.7453575009695381
Energy: 0.7607613461897357
Energy: 0.7322168927410391
Energy: 0.7607613462197369
Energy: 0.7322168927504915
Energy: 0.7607613461852148
Energy: 0.7322168927500806
Energy: 0.7756315382790829
Energy: 0.7413465751333299
Energy: 0.77563153827785
Energy: 0.7413465751316861
Energy: 0.7756315382786719
Energy: 0.741346575132508
Energy: 0.7546864779259169
Energy: 0.7276266646367459
Energy: 0.7546864779259169
Energy: 0.727626664633869
Energy: 0.7546864779271498
Energy: 0.727626664633047
Energy: 0.8660028661539587
Energy: 0.731462279182503
Energy: 0.8659913302590201
Energy: 0.731462279182914
Energy: 0.8659538584804811
Energy: 0.7314622791837357
Energy: 0.6818890571689824
Energy: 0.791668180541976
Energy: 0.6818890571698044
Energy: 0.7916681805415651
Energy: 0.6818890571698044
Energy: 0.791668180541976
Energy: 0.780355908308199
Energy: 0.8191512540682738
Energy: 0.780355908309432
Energy: 0.8191512540682738
Energy: 0.7803559083102538
Energy: 0.8191512540682738
Energy: 0.8439063472041342
Energy: 0.7955070113085008
Energy: 0.8439063471802974
Energy: 0.795507011307679
Energy: 0.8439063471811195
Energy: 0.795507011307679
Energy: 0.7675770075104767
Energy: 0.7963606750789829
Energy: 0.7675770075104767
Energy: 0.7963606750789829
Energy: 0.7675770075121208
Energy: 0.7963606750798048
Energy: 0.7792941706743818
Energy: 0.7754216825294254
Energy: 0.7792941706760257
Energy: 0.8027898045255552
Energy: 0.7792941706764367
Energy: 0.7704244343354463
Energy: 0.767799390852754
Energy: 0.7976195846462381
Energy: 0.767799390852754
Energy: 0.7976195846441833
Energy: 0.767799390852754
Energy: 0.7976195846569234
Energy: 0.8445205540416714
Energy: 0.7953128067747174
Energy: 0.8445205540392056
Energy: 0.7953128067747174
Energy: 0.8445205540412604
Energy: 0.7953128067734846
Energy: 0.7805923663349776
Energy: 0.81938566010319
Energy: 0.7805923663353886
Energy: 0.81938566010319
Energy: 0.7805923663349776
Energy: 0.81938566010319
Energy: 0.6822899294855566
Energy: 0.8430763968933548
Energy: 0.6822899294814468
Energy: 0.8430763968933548
Energy: 0.6822899294793919
Energy: 0.8430763968859571
Energy: 0.8672339778954459
Energy: 0.732565118086689
Energy: 0.8672331151612398
Energy: 0.7325651180870999
Energy: 0.8672288552785488
Energy: 0.732565118069839
Energy: 0.7558892487529791
Energy: 0.7274139987157192
Energy: 0.7558892487509242
Energy: 0.7274139987161302
Energy: 0.7558892487513352
Energy: 0.7274139987153083
Energy: 0.7758643981583946
Energy: 0.7409380523715011
Energy: 0.7758643981579837
Energy: 0.7409380523661585
Energy: 0.7758643981592166
Energy: 0.7409380523690353
Energy: 0.7619898954779081
Energy: 0.7326521196399214
Energy: 0.7619898954787301
Energy: 0.7326521196386885
Energy: 0.7619898954807849
Energy: 0.7326521196374555
Energy: 0.683426432761522
Energy: 0.7460548110352062
Energy: 0.6834264327491928
Energy: 0.7450359861282242
Energy: 0.6834264327504257
Energy: 0.7448858466498592
Energy: 0.7587521053940114
Energy: 0.874995626428674
Energy: 0.7587521053960662
Energy: 0.874995626428674
Energy: 0.7587521054083954
Energy: 0.874995626428674
Energy: 0.7868167486206227
Energy: 0.8068318647566419
Energy: 0.7868167486202117
Energy: 0.8068318647660945
Energy: 0.7868167486193899
Energy: 0.8068318647619845
Energy: 0.7689778405998418
Energy: 0.7788311515474434
Energy: 0.7689778406002526
Energy: 0.7788311515470324
Energy: 0.7689778406002526
Energy: 0.7788311515449776
Energy: 0.7585422976377872
Energy: 0.7429163464180585
Energy: 0.7585422976377872
Energy: 0.7429163464201133
Energy: 0.7585422976369652
Energy: 0.7429163464176475
Energy: 0.8192601842789025
Energy: 0.741668661599467
Energy: 0.8192601842797244
Energy: 0.7416686615990561
Energy: 0.8192601842797244
Energy: 0.7416686615990561
Energy: 0.8807667818535301
Energy: 0.706734792827333
Energy: 0.880766781853941
Energy: 0.7067347928269221
Energy: 0.8807667818531191
Energy: 0.7067347928281549
Energy: 0.6885730720592289
Energy: 0.8067753811992784
Energy: 0.6885730720629277
Energy: 0.8067753811988675
Energy: 0.6885730720612838
Energy: 0.8067753811996895
Energy: 0.7673565353538763
Energy: 0.7793064221063336
Energy: 0.7673565353534654
Energy: 0.7793064221071556
Energy: 0.7673565353522322
Energy: 0.7793064221067446
Energy: 0.7599735361351683
Energy: 0.7188617258086897
Energy: 0.7599735361446206
Energy: 0.7188617258103337
Energy: 0.7599735361372231
Energy: 0.7188617258111556
Energy: 0.910049176747278
Energy: 0.7444935159861078
Energy: 0.9100491767464561
Energy: 0.74449351598282
Energy: 0.910049176749333
Energy: 0.7444935159832309
Energy: 0.7596703412725335
Energy: 0.7032477316945622
Energy: 0.7596703412725335
Energy: 0.7032477316966171
Energy: 0.7596703412708896
Energy: 0.7032477316962061
Energy: 0.765592320425792
Energy: 0.7794789456932282
Energy: 0.7655923204208602
Energy: 0.7794789456936392
Energy: 0.7655923204249699
Energy: 0.7794789456936392
Energy: 0.6836696344109691
Energy: 0.7389638076677048
Energy: 0.6836696344109691
Energy: 0.7389638076697597
Energy: 0.6836696344093252
Energy: 0.7389638076730476
Energy: 0.882165149792092
Energy: 0.7067341957871428
Energy: 0.8821651497912701
Energy: 0.7067341957867318
Energy: 0.8821651497912701
Energy: 0.7067341957871428

minimum gb energy = 0.6540868561445519 eV
minimum distance =  2.36444192946861 Angstroms
sigma value = 57


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

Energy: 0.7061004512893689
Energy: 0.6905766217580158
Energy: 0.7061004512886997
Energy: 0.6905766217580158
Energy: 0.7061004512880306
Energy: 0.6905766217573465
Energy: 0.751371363619372
Energy: 0.7268796114747597
Energy: 0.7513713636200412
Energy: 0.7268796114760979
Energy: 0.7513713636200412
Energy: 0.7268796114754288
Energy: 0.7922525701916263
Energy: 0.7260553404142976
Energy: 0.7922525701902879
Energy: 0.7260553404136285
Energy: 0.7922525701922956
Energy: 0.7260553404142976
Energy: 0.7998278139481011
Energy: 0.7740825857352059
Energy: 0.7998278139507778
Energy: 0.7740825857365442
Energy: 0.7998278139487702
Energy: 0.7740825857345366
Energy: 0.7047353516810713
Energy: 0.6301291491548764
Energy: 0.7047353516777255
Energy: 0.6301291491542073
Energy: 0.7047353516824097
Energy: 0.6301291491521998
Energy: 0.7727213081961197
Energy: 0.6755950263353213
Energy: 0.7727213081954506
Energy: 0.6755950263353213
Energy: 0.7727213081961197
Energy: 0.6755950263359904
Energy: 0.6374466090867762
Energy: 0.7491677699060725
Energy: 0.637446609086107
Energy: 0.7491677699047342
Energy: 0.6374466090847687
Energy: 0.7491677699047342
Energy: 0.8449982673985136
Energy: 0.7162587527875431
Energy: 0.8449982673985136
Energy: 0.7162587527848665
Energy: 0.8449982673985136
Energy: 0.7162587527862048
Energy: 0.6911712206209275
Energy: 0.6781045814606406
Energy: 0.6911712206202584
Energy: 0.6781045814606406
Energy: 0.6911712206202584
Energy: 0.6781045814593023
Energy: 0.6945846798484026
Energy: 0.7037846436772732
Energy: 0.6945846798544251
Energy: 0.7037846436772732
Energy: 0.6945846798564327
Energy: 0.7037846436779424
Energy: 0.6367347899878172
Energy: 0.7951982926825641
Energy: 0.6367347899804564
Energy: 0.7951982926879175
Energy: 0.636734789987148
Energy: 0.7951982926832333
Energy: 0.7364191717024897
Energy: 0.7156761856539561
Energy: 0.7364191717031588
Energy: 0.7156761856539561
Energy: 0.7364191717018206
Energy: 0.7156761856519485
Energy: 0.6926975016434505
Energy: 0.8325489463635488
Energy: 0.6926975016421122
Energy: 0.8325489463642182
Energy: 0.6926975016434505
Energy: 0.8325489463642182
Energy: 0.6557029371175969
Energy: 0.731887725594763
Energy: 0.6557029371276343
Energy: 0.7318877255653196
Energy: 0.655702937130311
Energy: 0.7318877255887404
Energy: 0.7915087479910197
Energy: 0.8335611961387327
Energy: 0.791508747989012
Energy: 0.8335611961367252
Energy: 0.7915087479903505
Energy: 0.8335611961387327
Energy: 0.7487103333149634
Energy: 0.685277172520115
Energy: 0.7487103333156325
Energy: 0.6852771724987018
Energy: 0.7487103333156325
Energy: 0.6852771725187767
Energy: 0.7057478004823989
Energy: 0.7758171910564196
Energy: 0.7057478004823989
Energy: 0.7758171910564196
Energy: 0.7057478004783838
Energy: 0.7758171910570888
Energy: 0.7312816957947711
Energy: 0.8451323215567809
Energy: 0.7312812968676398
Energy: 0.8451323215561116
Energy: 0.7312800511570281
Energy: 0.8451323215507582
Energy: 0.7187969708131957
Energy: 0.7414320766778815
Energy: 0.718796970813865
Energy: 0.7414320767092715
Energy: 0.7187969708131957
Energy: 0.7414320766671748
Energy: 0.7278732981214365
Energy: 0.7778206843619424
Energy: 0.7278732981207674
Energy: 0.7778206843626115
Energy: 0.7278732981214365
Energy: 0.7778206843626115
Energy: 0.7526677984351159
Energy: 0.7383283042432701
Energy: 0.7526677984351159
Energy: 0.7383283042432701
Energy: 0.7526677984377925
Energy: 0.738328304242601
Energy: 0.6370463802205502
Energy: 0.74228903963403
Energy: 0.637046380219881
Energy: 0.7422890396494208
Energy: 0.6370463802205502
Energy: 0.7422890396628042
Energy: 0.6990894233240905
Energy: 0.7337145359764207
Energy: 0.6990894233240905
Energy: 0.7337145359764207
Energy: 0.6990894233247597
Energy: 0.7337145359764207
Energy: 0.7078452037519212
Energy: 0.7533393698554445
Energy: 0.7078452037532594
Energy: 0.7533393698561137
Energy: 0.7078452037525904
Energy: 0.7533393698594595
Energy: 0.7073841806620875
Energy: 0.8688368382085954
Energy: 0.7073841806614184
Energy: 0.8688368382085954
Energy: 0.707384180664095
Energy: 0.8688368382099337
Energy: 0.695877998202697
Energy: 0.7347526129252796
Energy: 0.695877998206712
Energy: 0.7347526129252796
Energy: 0.6958779982020279
Energy: 0.7347526129252796
Energy: 0.6510439190625997
Energy: 0.741065108197577
Energy: 0.6510439190619306
Energy: 0.7410651081360745
Energy: 0.6510439190625997
Energy: 0.7410651081768328

minimum gb energy = 0.6301291491521998 eV
minimum distance =  2.34676521318159 Angstroms
sigma value = 43


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

Energy: 0.635755933690203
Energy: 0.6033278246385215
Energy: 0.6357559336906905
Energy: 0.6033278246375464
Energy: 0.6357559336887404
Energy: 0.603327824638034
Energy: 0.6497843588928056
Energy: 0.6584524672880215
Energy: 0.6497843588942682
Energy: 0.6584524672885091
Energy: 0.6497843588937806
Energy: 0.6584524672880215
Energy: 0.6573155496669637
Energy: 0.661073958507237
Energy: 0.6573155496674513
Energy: 0.6610739585077247
Energy: 0.6573155496674513
Energy: 0.6610739585077247
Energy: 0.607960871258466
Energy: 0.6408689966461435
Energy: 0.6079608712662669
Energy: 0.6408689966461435
Energy: 0.6079608712570034
Energy: 0.6408689966451685
Energy: 0.6525834798477157
Energy: 0.6256479266405124
Energy: 0.6525834798447904
Energy: 0.6256479266414873
Energy: 0.6525834798457655
Energy: 0.6256479266409998
Energy: 0.663806244620103
Energy: 0.5900765701183363
Energy: 0.6638062446196155
Energy: 0.5900765701188239
Energy: 0.6638062446196155
Energy: 0.5900765701183363
Energy: 0.6160022858478764
Energy: 0.6806053232060061
Energy: 0.6160022858473888
Energy: 0.6806053232055186
Energy: 0.6160022858473888
Energy: 0.6806053232060061
Energy: 0.6525239429932396
Energy: 0.6070521023407991
Energy: 0.6525239429981152
Energy: 0.6070521023310479
Energy: 0.6525239430020157
Energy: 0.6070521023383614
Energy: 0.6228618687623105
Energy: 0.5823381388271808
Energy: 0.6228618687623105
Energy: 0.5823381388271808
Energy: 0.622861868762798
Energy: 0.5823381388271808
Energy: 0.649736041510662
Energy: 0.6486978888710664
Energy: 0.6497360414244087
Energy: 0.6486978888710664
Energy: 0.6497360414999357
Energy: 0.6486978888700912
Energy: 0.7288552467896092
Energy: 0.7087914442117885
Energy: 0.7288552467900968
Energy: 0.7087914442122761
Energy: 0.7288552467896092
Energy: 0.7087914442122761
Energy: 0.5786221839146686
Energy: 0.6277544401282573
Energy: 0.5786221839141811
Energy: 0.6277544401267947
Energy: 0.5786221839146686
Energy: 0.6277544401272823
Energy: 0.6503936909559858
Energy: 0.610121454503543
Energy: 0.6503936909608613
Energy: 0.6101214545025678
Energy: 0.650393690956961
Energy: 0.6101214545025678
Energy: 0.6977246943068749
Energy: 0.7036439785748833
Energy: 0.6977246943073625
Energy: 0.7036439785739081
Energy: 0.6977246943063874
Energy: 0.7036439785719578
Energy: 0.641598199957977
Energy: 0.626053843652478
Energy: 0.6415981999584645
Energy: 0.6260538436529655
Energy: 0.641598199957977
Energy: 0.626053843655359
Energy: 0.6191649455977785
Energy: 0.6648242202816753
Energy: 0.619164945597291
Energy: 0.6648242202816753
Energy: 0.6191649455977785
Energy: 0.6648242202811877
Energy: 0.69912386475969
Energy: 0.6628296918078539
Energy: 0.69912386475969
Energy: 0.6628296918141479
Energy: 0.69912386475969
Energy: 0.6628296918098041
Energy: 0.6168506235023499
Energy: 0.5719316109861059
Energy: 0.616850623503325
Energy: 0.5719316109861059
Energy: 0.6168506235023499
Energy: 0.5719316109841557
Energy: 0.6153346906321899
Energy: 0.7175893058249365
Energy: 0.6153346906317023
Energy: 0.7175893058249365
Energy: 0.6153346906317023
Energy: 0.7175893058249365
Energy: 0.6150253721221013
Energy: 0.5813994798864411
Energy: 0.6150253721225889
Energy: 0.5813994798762024
Energy: 0.6150253721230764
Energy: 0.5813994798747397
Energy: 0.6699341193301118
Energy: 0.5906640620181831
Energy: 0.6699341192843257
Energy: 0.590664062017208
Energy: 0.6699341191079184
Energy: 0.5906640620181831
Energy: 0.6691070232383022
Energy: 0.6484704939055966
Energy: 0.6691070232378147
Energy: 0.648470493905109
Energy: 0.6691070232358644
Energy: 0.6484704939046214
Energy: 0.6286622307527372
Energy: 0.6601075432937974
Energy: 0.6286622307581002
Energy: 0.6601075432942849
Energy: 0.6286622307463989
Energy: 0.6601075432937974
Energy: 0.6344459653134984
Energy: 0.5911006876571412
Energy: 0.6344459455021254
Energy: 0.5911006876561661
Energy: 0.6344458819426041
Energy: 0.5911006876556786
Energy: 0.6218138596067373
Energy: 0.579871779911713
Energy: 0.6218138596072249
Energy: 0.5798717799102503
Energy: 0.6218138596067373
Energy: 0.5798717799107379
Energy: 0.6208875544722137
Energy: 0.6748096740291367
Energy: 0.6208875544727012
Energy: 0.6748096740291367
Energy: 0.6208875544727012
Energy: 0.6748096740286492
Energy: 0.6193030946743657
Energy: 0.5927020421034305
Energy: 0.6193030946768036
Energy: 0.5927020421000175
Energy: 0.6550577175863717
Energy: 0.5927020421005051
Energy: 0.5925959435816082
Energy: 0.6250422602487121
Energy: 0.5925959435811206
Energy: 0.6250422602526127
Energy: 0.5925959435816082
Energy: 0.6250422602467621
Energy: 0.57645536821062
Energy: 0.6214511197398775
Energy: 0.5764553682111075
Energy: 0.6214511197398775
Energy: 0.5764553682096448
Energy: 0.6214511197398775
Energy: 0.6416898776689215
Energy: 0.5794882508974312
Energy: 0.6416898776679464
Energy: 0.579488250896456
Energy: 0.6416898776679464
Energy: 0.5794882508979187
Energy: 0.5305688388445743
Energy: 0.6272247650332856
Energy: 0.5305688388445743
Energy: 0.6272247650215842
Energy: 0.5963172606093334
Energy: 0.6272247649772608
Energy: 0.5760922706575556
Energy: 0.5932016374576974
Energy: 0.5760922706565805
Energy: 0.5932016374572098
Energy: 0.576092270657068
Energy: 0.5932016374572098
Energy: 0.6115050021238363
Energy: 0.5880671467897619
Energy: 0.6115050021238363
Energy: 0.5880671467892743
Energy: 0.6115050021228612
Energy: 0.5880671467892743
Energy: 0.7283745179444526
Energy: 0.6617033126072314
Energy: 0.7283745179444526
Energy: 0.6617033126072314
Energy: 0.7283745179449401
Energy: 0.6617033126072314
Energy: 0.5773939948029293
Energy: 0.5688321157388578
Energy: 0.5773939948092676
Energy: 0.5688321157388578
Energy: 0.5773939948053671
Energy: 0.5688321157388578
Energy: 0.5615248879043014
Energy: 0.6203474462511733
Energy: 0.5615248879038139
Energy: 0.6203474462497106
Energy: 0.5615248879047889
Energy: 0.6203474462506857

minimum gb energy = 0.5305688388445743 eV
minimum distance =  2.35351523713043 Angstroms
sigma value = 81


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

Energy: 0.46439586113386117
Energy: 0.4714552727019385
Energy: -0.00038242777444901584
Energy: 0.4714552727019385
Energy: 0.46439586113386117
Energy: 0.4714552727019385
Energy: 1.0082490721207693
Energy: 0.0007645723613919624
Energy: 1.0082490721207693
Energy: 0.0007645723596005614
Energy: 1.0082490721207693
Energy: 0.0007645723810973753
Energy: 0.4685712184808981
Energy: 0.0006957804851058122
Energy: 0.46857121847910665
Energy: 0.0006957804868972134
Energy: 0.4685712184808981
Energy: 0.0006957804851058122
Energy: -0.00038242777444901584
Energy: 0.4714552727019385
Energy: -0.00038242777444901584
Energy: 0.4714552727019385
Energy: -0.00038242777444901584
Energy: 0.4714552727019385
Energy: 1.0082490721207693
Energy: 0.0007645723864715787
Energy: 1.0082490721207693
Energy: 0.0007645723685575671
Energy: 1.0082490721207693
Energy: 0.0007645723578091602
Energy: 0.4685712184808981
Energy: 0.0006957804851058122
Energy: 0.46857121847910665
Energy: 0.0006957804851058122
Energy: 0.4685712184808981
Energy: 0.0006957804851058122
Energy: 0.46439586113386117
Energy: 0.4714552727019385
Energy: -0.00038242777444901584
Energy: 0.4714552727019385
Energy: 0.46439586113386117
Energy: 0.4714552727019385
Energy: 1.0082490721207693
Energy: 0.00076457238826298
Energy: 1.0082490721207693
Energy: 0.0007645723739317707
Energy: 1.0082490721207693
Energy: 0.0007645723900543812
Energy: 0.46857121847910665
Energy: 0.0006957804868972134
Energy: 0.4685712184808981
Energy: 0.0006957804868972134
Energy: 0.46857121847910665
Energy: 0.0006957804868972134
Energy: -0.00038242777444901584
Energy: 0.4714552727019385
Energy: -0.00038242777444901584
Energy: 0.4714552727019385
Energy: -0.00038242777444901584
Energy: 0.4714552727019385

minimum gb energy = -0.00038242777444901584 eV
minimum distance =  2.41867059018819 Angstroms
sigma value = 3


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

Energy: 0.9593424304252363
Energy: 0.606875418805552
Energy: 0.9593424304252363
Energy: 0.6068754188076964
Energy: 0.9593424304257725
Energy: 0.6068754188066241
Energy: 0.37609754652127236
Energy: 0.4807302060901118
Energy: 0.37609754652288063
Energy: 0.4807302060901118
Energy: 0.3760975465181046
Energy: 0.480730206091184
Energy: 0.5980995218972645
Energy: 0.4296156190923076
Energy: 0.5487274896899784
Energy: 0.42961561909391577
Energy: 0.39509643319332366
Energy: 0.4296156190928437
Energy: 0.4886745245280871
Energy: 0.4690437062569917
Energy: 0.4886745244739428
Energy: 0.4690437062564556
Energy: 0.488674524456837
Energy: 0.4690437062569917
Energy: 0.40836691215697607
Energy: 0.493271930052433
Energy: 0.4083669121564399
Energy: 0.4932719300535052
Energy: 0.40836691215536775
Energy: 0.4932719300535052
Energy: 0.46820775606601983
Energy: 0.44013453157712024
Energy: 0.4682077560617312
Energy: 0.44013453157712024
Energy: 0.468207756060659
Energy: 0.4401345315776563
Energy: 0.31246329472157136
Energy: 0.5024927345838923
Energy: 0.3124632965391324
Energy: 0.5024927345838923
Energy: 0.3124632951191491
Energy: 0.5024927345844283
Energy: 0.45448105625478
Energy: 0.41254949677141045
Energy: 0.4544810562488831
Energy: 0.41254949677087427
Energy: 0.4544810562596047
Energy: 0.4125494967698022
Energy: 0.47827133620383566
Energy: 0.44941637471817825
Energy: 0.47827133620383566
Energy: 0.4494163747187144
Energy: 0.4782713362027634
Energy: 0.44941637471817825
Energy: 0.4151859385666414
Energy: 0.5003424967192892
Energy: 0.4151859385666414
Energy: 0.5003424967192892
Energy: 0.4151859385291156
Energy: 0.5003424967192892
Energy: 0.4866734010057296
Energy: 0.4134316470068657
Energy: 0.4866734010057296
Energy: 0.4134316470004327
Energy: 0.48667340100519346
Energy: 0.41343164699453583
Energy: 0.49039411803253463
Energy: 0.490436170587004
Energy: 0.4903941180330706
Energy: 0.490436170587004
Energy: 0.49039411803253463
Energy: 0.490436170587004
Energy: 0.4909458459124045
Energy: 0.47333404865729584
Energy: 0.4909458459124045
Energy: 0.47333404865729584
Energy: 0.4909458459118684
Energy: 0.4733340486567597
Energy: 0.3473069212166406
Energy: 0.391089276754651
Energy: 0.34730692121556844
Energy: 0.391089276755187
Energy: 0.3473069212161045
Energy: 0.3910892767953932
Energy: 0.44886650495047187
Energy: 0.4741211348864263
Energy: 0.44886650495047187
Energy: 0.4741211348842819
Energy: 0.44886650495047187
Energy: 0.4741211348821864
Energy: 0.4302193999664221
Energy: 0.41565422546199576
Energy: 0.4302193999691025
Energy: 0.41565422546414005
Energy: 0.4302193999621335
Energy: 0.415654225452931
Energy: 0.3510870056459528
Energy: 0.7819162767918358
Energy: 0.3510870056647156
Energy: 0.781916276792372
Energy: 0.35108700565560225
Energy: 0.7819162767918358
Energy: 0.4276201674099275
Energy: 0.44615146397797295
Energy: 0.42762016741796877
Energy: 0.44615144877069635
Energy: 0.4276201674142162
Energy: 0.4461514210552664
Energy: 0.4300046803877277
Energy: 0.3838689335414685
Energy: 0.4300046803882638
Energy: 0.38386893354093243
Energy: 0.4300046803877277
Energy: 0.38386893354039636
Energy: 0.3136449884887087
Energy: 0.4786010621656015
Energy: 0.31325635225192805
Energy: 0.47860106216399323
Energy: 0.31237571173822526
Energy: 0.4786010621656015
Energy: 0.45993925335743335
Energy: 0.5493743138245161
Energy: 0.45993925335850555
Energy: 0.5493743138245161
Energy: 0.4599392533579694
Energy: 0.5493743138260755
Energy: 0.39988720297140323
Energy: 0.43849944354642173
Energy: 0.3998872029746197
Energy: 0.43849944354642173
Energy: 0.39988720297140323
Energy: 0.43849944354642173
Energy: 0.4276009244288148
Energy: 0.47314503688556125
Energy: 0.43218548705232157
Energy: 0.4731450368823448
Energy: 0.4334501001585969
Energy: 0.47314503688341697
Energy: 0.46144426355615914
Energy: 0.2963843184894401
Energy: 0.4614442643781188
Energy: 0.2963843184980174
Energy: 0.46144426312373604
Energy: 0.296384318495337
Energy: 0.4296041006275061
Energy: 0.46174311683084257
Energy: 0.4296041006275061
Energy: 0.4617431168319147
Energy: 0.42960410062643395
Energy: 0.46174311683084257
Energy: 0.47714498613832923
Energy: 0.43778203820689016
Energy: 0.47714498613779316
Energy: 0.43778203820689016
Energy: 0.4771449861388654
Energy: 0.4377820382052818
Energy: 0.504327858419309
Energy: 0.44802158598749536
Energy: 0.5043278584187729
Energy: 0.44802158598803143
Energy: 0.5043278584171648
Energy: 0.44802158598803143
Energy: 0.4490339365797854
Energy: 0.4842210534323754
Energy: 0.4490339365792493
Energy: 0.48422105343291155
Energy: 0.4490339365792493
Energy: 0.48422105343183935
Energy: 0.4794582659188285
Energy: 0.4922981944903039
Energy: 0.4794582659188285
Energy: 0.4922981944881596
Energy: 0.4794582659188285
Energy: 0.49229819448976775
Energy: 0.5395280856484218
Energy: 0.48243355151512624
Energy: 0.5395280856462775
Energy: 0.48243355151512624
Energy: 0.5395280856462775
Energy: 0.4824335515156623
Energy: 0.5823422968063361
Energy: 0.4794747022302333
Energy: 0.5823422968063361
Energy: 0.4794747022291611
Energy: 0.5823422968063361
Energy: 0.4794747022307694
Energy: 0.4571595863918892
Energy: 0.44056351571206376
Energy: 0.4571595863918892
Energy: 0.44056351571259983
Energy: 0.4571595863918892
Energy: 0.44056351571259983
Energy: 0.7069718382335395
Energy: 0.45011294196461393
Energy: 0.7069718382340755
Energy: 0.4501129419619335
Energy: 0.7069718382340755
Energy: 0.4501129419678304

minimum gb energy = 0.2963843184894401 eV
minimum distance =  2.37038015695654 Angstroms
sigma value = 67


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

Energy: 0.9724094562924377
Energy: 0.7347681352522426
Energy: 0.9724094562916739
Energy: 0.7347681352530064
Energy: 0.9724094562924377
Energy: 0.7347681352514787
Energy: 0.6003700750270892
Energy: 0.6069983656455958
Energy: 0.6003700750270892
Energy: 0.6069983656455958
Energy: 0.6003700750278531
Energy: 0.6069983656463598
Energy: 0.6868174459858932
Energy: 0.6046802149324995
Energy: 0.6868174459874209
Energy: 0.6046802149332633
Energy: 0.7676103210880183
Energy: 0.6046802149324995
Energy: 0.6066559611498935
Energy: 0.678722921088365
Energy: 0.6066559611460742
Energy: 0.6787229210898927
Energy: 0.6066559611468381
Energy: 0.6787229210898927
Energy: 0.6050748657772546
Energy: 0.6072835924406598
Energy: 0.6050748657764906
Energy: 0.6072835924391322
Energy: 0.6050748657764906
Energy: 0.6072835924406598
Energy: 0.6423831915327414
Energy: 0.6036479003120833
Energy: 0.6423831915327414
Energy: 0.6036479003120833
Energy: 0.6423831915327414
Energy: 0.6036479003120833
Energy: 0.6056805988158555
Energy: 0.6423121024702022
Energy: 0.6056805988150916
Energy: 0.6423121024702022
Energy: 0.6056805988158555
Energy: 0.642312102470966
Energy: 0.6376735312705519
Energy: 0.7261472873056568
Energy: 0.6376735312713158
Energy: 0.726147287304893
Energy: 0.637673531269788
Energy: 0.726147287304893
Energy: 0.6621580119288971
Energy: 0.6642899339217799
Energy: 0.6621580119288971
Energy: 0.6642899339217799
Energy: 0.6621580119288971
Energy: 0.6642899339217799
Energy: 0.6032682939490198
Energy: 0.6474507882210753
Energy: 0.6032682939497838
Energy: 0.6474507882210753
Energy: 0.6032682939497838
Energy: 0.6474507882218391
Energy: 0.6544165278741109
Energy: 0.8467835826262903
Energy: 0.6544165278741109
Energy: 0.8467835826262903
Energy: 0.6544165278741109
Energy: 0.8467835826262903
Energy: 0.6041700666904615
Energy: 0.6318332007893429
Energy: 0.6041700666904615
Energy: 0.6318332007893429
Energy: 0.6041700666912252
Energy: 0.6318332007901067
Energy: 0.6032525138032846
Energy: 0.6334723949827128
Energy: 0.6032525138032846
Energy: 0.6334723949911152
Energy: 0.6032525138032846
Energy: 0.6334723949911152
Energy: 0.623753404976937
Energy: 0.7783101402706155
Energy: 0.6237534049777008
Energy: 0.7783101402706155
Energy: 0.6237534049670068
Energy: 0.7783101402721433
Energy: 0.6000591893436695
Energy: 0.7185936301603798
Energy: 0.6000591893444335
Energy: 0.7185936301588522
Energy: 0.6000591893444335
Energy: 0.7185936301619076
Energy: 0.6071443944640316
Energy: 0.6555827849316422
Energy: 0.6071443944632677
Energy: 0.6555827849354614
Energy: 0.6071443944640316
Energy: 0.6555827849324061
Energy: 0.6682277043485345
Energy: 0.7769699007463408
Energy: 0.6682277037987665
Energy: 0.7769699007478684
Energy: 0.6682277012036004
Energy: 0.7769699007463408
Energy: 0.7377511877557913
Energy: 0.5959434984318909
Energy: 0.7377511877557913
Energy: 0.5959434984318909
Energy: 0.7377511877557913
Energy: 0.5959434984318909
Energy: 0.6055742308137102
Energy: 0.6348588109591329
Energy: 0.6055742308137102
Energy: 0.6348588109698268
Energy: 0.6055742308137102
Energy: 0.6348588109576053
Energy: 0.5844204919899523
Energy: 0.6062364729354659
Energy: 0.5844204919907161
Energy: 0.6062364729347021
Energy: 0.5844204919907161
Energy: 0.6062364729354659
Energy: 0.6428571672959084
Energy: 0.6493874739701692
Energy: 0.6428571672951444
Energy: 0.6493874739701692
Energy: 0.6428571672959084
Energy: 0.6493874739701692
Energy: 0.6122273589104265
Energy: 0.7074439072478408
Energy: 0.6122273589111904
Energy: 0.7074439072478408
Energy: 0.6122273589104265
Energy: 0.7074439072486047
Energy: 0.656234901012181
Energy: 0.6056884433598833
Energy: 0.6562349010114171
Energy: 0.6056884433583555
Energy: 0.656234901012181
Energy: 0.6056884433583555

minimum gb energy = 0.5844204919899523 eV
minimum distance =  2.38340604934072 Angstroms
sigma value = 33


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

Energy: 1.0230722369634004
Energy: 0.8368566697705486
Energy: 1.0230722369634004
Energy: 0.8368566697700642
Energy: 1.0230722369634004
Energy: 0.8368566697700642
Energy: 0.6849924828101397
Energy: 0.6962334825279795
Energy: 0.6849924828023864
Energy: 0.6962334825279795
Energy: 0.6849924827999635
Energy: 0.696233482528464
Energy: 0.7776890270423868
Energy: 0.6934496086468454
Energy: 0.7776890270360874
Energy: 0.6934496086468454
Energy: 0.7776890270404486
Energy: 0.6934496086468454
Energy: 0.6794203772639802
Energy: 0.7691552895865542
Energy: 0.6794203772639802
Energy: 0.7691552895865542
Energy: 0.6794203772630112
Energy: 0.7691552895870388
Energy: 0.7581176790045737
Energy: 0.8432504576017887
Energy: 0.7581176790045737
Energy: 0.8432504576017887
Energy: 0.7581176790045737
Energy: 0.8432504576022734
Energy: 0.744885236885481
Energy: 0.7075143398426115
Energy: 0.7448852368864503
Energy: 0.8767464548831609
Energy: 0.7448852368859655
Energy: 0.7784669472945809
Energy: 0.6984763421778293
Energy: 0.7409027264730967
Energy: 0.6984763421783139
Energy: 0.7409027264726122
Energy: 0.6984763421783139
Energy: 0.7409027264726122
Energy: 0.7558371075933187
Energy: 0.6930330315252614
Energy: 0.7558371075938032
Energy: 0.693033031525746
Energy: 0.7558371075938032
Energy: 0.693033031525746
Energy: 0.7022510939776094
Energy: 0.7495505831699149
Energy: 0.702251093978094
Energy: 0.7495505831703995
Energy: 0.702251093978094
Energy: 0.7495505831694302
Energy: 0.6774219153193641
Energy: 0.7494792592850567
Energy: 0.6774219153198486
Energy: 0.8279789330507754
Energy: 0.6774219153198486
Energy: 0.7638809926996292
Energy: 0.7796522467422068
Energy: 0.8441702693573797
Energy: 0.7796522467402686
Energy: 0.8441702693573797
Energy: 0.7796522467422068
Energy: 0.8441702693568951
Energy: 0.6890398653848746
Energy: 0.6939445924480412
Energy: 0.6890398653853592
Energy: 0.6939445924490103
Energy: 0.6890398653853592
Energy: 0.6939445924480412
Energy: 0.6902874565292816
Energy: 0.7027455860802848
Energy: 0.6902874565283124
Energy: 0.7027455860812539
Energy: 0.690287456528797
Energy: 0.7027455860807693
Energy: 0.7345951308477736
Energy: 0.6750302763235771
Energy: 0.7345951301009105
Energy: 0.6750302763230925
Energy: 0.7345951296688452
Energy: 0.6750302763230925
Energy: 0.6954425076222545
Energy: 0.7639892236247872
Energy: 0.6954425076227391
Energy: 0.7639892236243025
Energy: 0.69544250762177
Energy: 0.7639892236247872
Energy: 0.6778539937867397
Energy: 0.7761254471583138
Energy: 0.6778539937877088
Energy: 0.7761254471587985
Energy: 0.6778539937877088
Energy: 0.7761254471587985
Energy: 0.7725064240267927
Energy: 0.6943117928485123
Energy: 0.7725064240258237
Energy: 0.6943117928475432
Energy: 0.7725064240272774
Energy: 0.6943117928480278
Energy: 0.7255829705689072
Energy: 0.7698195287344668
Energy: 0.7255829705689072
Energy: 0.7698195287330131
Energy: 0.7255829705703609
Energy: 0.7698195287339823
Energy: 0.6936032129751394
Energy: 0.7500369390949942
Energy: 0.6936032129746548
Energy: 0.7500369390949942
Energy: 0.6936032129736857
Energy: 0.7500369390945096
Energy: 0.7539388964182899
Energy: 0.6957031888896807
Energy: 0.7539388964318579
Energy: 0.6957031888896807
Energy: 0.7539388964182899
Energy: 0.6957031888901654
Energy: 0.6918848789632155
Energy: 0.7423991872809685
Energy: 0.6918848789632155
Energy: 0.7423991872799994
Energy: 0.6918848789632155
Energy: 0.742399187280484
Energy: 0.6905055590707243
Energy: 0.7133273872133421
Energy: 0.690505559072178
Energy: 0.7133273872128575
Energy: 0.6905055590702398
Energy: 0.7133273872133421
Energy: 0.7363634564932084
Energy: 0.8444920798121403
Energy: 0.7359135116834841
Energy: 0.8444920798116559
Energy: 0.736542685531103
Energy: 0.8444920798116559
Energy: 0.6768763013739115
Energy: 0.7400237807324005
Energy: 0.6768763013739115
Energy: 0.7062264364717369
Energy: 0.6768763013748806
Energy: 0.7062264364707675
Energy: 0.6959986740573162
Energy: 0.7039909455890697
Energy: 0.6959986740578008
Energy: 0.7039909455895542
Energy: 0.6959986740573162
Energy: 0.7039909455900388
Energy: 0.7358193210493551
Energy: 0.9918985874614364
Energy: 0.7352594586132882
Energy: 0.9918985874614364
Energy: 0.7350520173337015
Energy: 0.991898587461921
Energy: 0.6978953948023886
Energy: 0.6998062286837726
Energy: 0.6978953948023886
Energy: 0.6998062286823188
Energy: 0.6978953948028732
Energy: 0.6998062286808651
Energy: 0.6956407770085448
Energy: 0.8254329176588926
Energy: 0.6956407770090293
Energy: 0.8254329176593771
Energy: 0.6956407770085448
Energy: 0.8254329176564698
Energy: 0.754220813980696
Energy: 0.8439644489184119
Energy: 0.7542208139802115
Energy: 0.8439644489188965
Energy: 0.7542208139811806
Energy: 0.8439644489188965
Energy: 0.6764296143681807
Energy: 0.7512136841105894
Energy: 0.6764296143681807
Energy: 0.7512136841101048
Energy: 0.6764296143676962
Energy: 0.7512136841105894
Energy: 0.8222572705790497
Energy: 0.770291248826985
Energy: 0.8222572705785651
Energy: 0.770291248826985
Energy: 0.8222572705790497
Energy: 0.770291248826985
Energy: 0.7581628586842479
Energy: 0.6767025153289282
Energy: 0.7581628586827942
Energy: 0.6767025153289282
Energy: 0.7581628586832788
Energy: 0.6767025153284436
Energy: 0.6930119639460733
Energy: 0.7805350371279619
Energy: 0.6930119639455888
Energy: 0.7805349412231356
Energy: 0.693011963946558
Energy: 0.7805347875898037
Energy: 0.684860648068365
Energy: 0.6944475304471053
Energy: 0.6848606480693342
Energy: 0.6944475304471053
Energy: 0.6848606480664267
Energy: 0.6944475304466207
Energy: 0.7434082158898749
Energy: 0.694802050786059
Energy: 0.7434082158889058
Energy: 0.694802050786059
Energy: 0.7434082158903595
Energy: 0.6948020507855743
Energy: 0.6809107216602931
Energy: 0.7389477292703529
Energy: 0.680910721662716
Energy: 0.7389477292703529
Energy: 0.6809107216632007
Energy: 0.7389477292698685
Energy: 0.6966233210530977
Energy: 0.692169096495612
Energy: 0.6966233210530977
Energy: 0.692169096495612
Energy: 0.6966233210530977
Energy: 0.6921690964960965

minimum gb energy = 0.6750302763230925 eV
minimum distance =  2.37226085801649 Angstroms
sigma value = 41


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

Energy: 0.8763741904046379
Energy: 1.0029434623510645
Energy: 0.8763741904033148
Energy: 1.0029434623497415
Energy: 0.8763741904046379
Energy: 1.0029434623523876
Energy: 0.908787250766209
Energy: 0.8662557414051701
Energy: 0.908787250766209
Energy: 0.8662557414051701
Energy: 0.908787250766209
Energy: 0.8662557414051701
Energy: 0.9687308244868936
Energy: 0.8645657158917341
Energy: 1.0513814146292375
Energy: 0.8645657158917341
Energy: 0.943168205115274
Energy: 0.8645657158930571
Energy: 0.8750303461505472
Energy: 0.9686411233876999
Energy: 0.8750303461505472
Energy: 0.9686411215058596
Energy: 0.8750303461505472
Energy: 0.9686411172237889
Energy: 0.9416078456556112
Energy: 0.9828080866965385
Energy: 0.9416078456569343
Energy: 0.9828080866978617
Energy: 0.9416078456556112
Energy: 0.9828080866965385
Energy: 1.0151353331042108
Energy: 0.9638709392357748
Energy: 1.0151353331042108
Energy: 0.9638709392357748
Energy: 1.0151353331055337
Energy: 0.9638709392344519
Energy: 0.8745073854471251
Energy: 0.9213373603836538
Energy: 0.8745073854458022
Energy: 0.9213373603836538
Energy: 0.8745073854471251
Energy: 0.9213373603823306
Energy: 0.9495746807371571
Energy: 0.8667282261924014
Energy: 0.9495746807384802
Energy: 0.8667282261910785
Energy: 0.9495746807384802
Energy: 0.8667282261924014
Energy: 0.9140932961315007
Energy: 1.0130897645298937
Energy: 0.9140932961315007
Energy: 1.0130897645298937
Energy: 0.9140932961288547
Energy: 1.0130897645272476
Energy: 0.8747132657629504
Energy: 0.9261147327784925
Energy: 0.8747132657629504
Energy: 0.9261147327784925
Energy: 0.8747132657629504
Energy: 0.9261147327784925
Energy: 0.9085877529646361
Energy: 0.865061502377082
Energy: 0.9085877529646361
Energy: 0.8650615023784051
Energy: 0.9085877529646361
Energy: 0.865061502377082
Energy: 0.9238591122985447
Energy: 0.8659440534544345
Energy: 0.9238591122985447
Energy: 0.8659440534544345
Energy: 0.9238591122985447
Energy: 0.8659440534544345
Energy: 0.8925842278534412
Energy: 0.966779761240496
Energy: 0.8925842278547643
Energy: 0.9667797612154185
Energy: 0.8925842278534412
Energy: 0.9667797611452975
Energy: 0.9453235235605341
Energy: 0.8675324578712243
Energy: 0.9453235235605341
Energy: 0.8675324578699013
Energy: 0.9453235235605341
Energy: 0.8675324578712243

minimum gb energy = 0.8645657158917341 eV
minimum distance =  2.36203928552415 Angstroms
sigma value = 11


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

Energy: 1.2478481996898168
Energy: 1.122873804808439
Energy: 1.2478481996909794
Energy: 1.122873804808439
Energy: 1.2478481996898168
Energy: 1.122873804808439
Energy: 1.072967528433177
Energy: 1.0315151088249237
Energy: 1.072967528432596
Energy: 1.0315151088249237
Energy: 1.072967528432596
Energy: 1.031515108826086
Energy: 1.1271298229047628
Energy: 1.0345389730681123
Energy: 1.1271298229053441
Energy: 1.0345389730681123
Energy: 1.1581267091389784
Energy: 1.0345389730681123
Energy: 1.0464983142476125
Energy: 1.0968678013401965
Energy: 1.0464983142476125
Energy: 1.0968678013407778
Energy: 1.0464983142470314
Energy: 1.0968678013407778
Energy: 1.1519477502288191
Energy: 1.033066454648035
Energy: 1.1519477502288191
Energy: 1.033066454648035
Energy: 1.1519477502288191
Energy: 1.033066454648035
Energy: 1.0511146397994278
Energy: 1.0895518586187014
Energy: 1.0511146397994278
Energy: 1.0895518586187014
Energy: 1.0511146398000089
Energy: 1.0895518586192825
Energy: 1.0453180135209563
Energy: 1.0996734337849137
Energy: 1.0453180135209563
Energy: 1.099673433779683
Energy: 1.0453180135215376
Energy: 1.0996734337698026
Energy: 1.0846003510402276
Energy: 1.049062469145505
Energy: 1.0846003510408089
Energy: 1.049062469145505
Energy: 1.0846003510402276
Energy: 1.0490624691449504
Energy: 1.1166133180792495
Energy: 1.0472280175849413
Energy: 1.1166133180786686
Energy: 1.0472280175855224
Energy: 1.1166133180786686
Energy: 1.0472280175855224
Energy: 1.0635719164112345
Energy: 1.1380375399016982
Energy: 1.0635719164118158
Energy: 1.1380375398883305
Energy: 1.0635719164112345
Energy: 1.1380375398732456
Energy: 1.0976919276045678
Energy: 1.0469592335918745
Energy: 1.0976919276068928
Energy: 1.0469592335924558
Energy: 1.0976919276057304
Energy: 1.0469592335924558
Energy: 1.0964932004524852
Energy: 1.0769514472703372
Energy: 1.0964932004524852
Energy: 1.0769514472709185
Energy: 1.0964932004524852
Energy: 1.0769514472703372
Energy: 1.0461131718009717
Energy: 1.0942733152121364
Energy: 1.0461131718009717
Energy: 1.0942733152121364
Energy: 1.0461131718003907
Energy: 1.0942733152121364
Energy: 1.1270397811684971
Energy: 1.0336898068488376
Energy: 1.127039781167916
Energy: 1.0336898068488376
Energy: 1.127039781167916
Energy: 1.0336898068482563
Energy: 1.0575397470981014
Energy: 1.068692498019873
Energy: 1.078687516018144
Energy: 1.0686924980204544
Energy: 1.071230569455849
Energy: 1.0686924980204544
Energy: 1.0694420519942047
Energy: 1.1479590627567444
Energy: 1.0694420519947858
Energy: 1.1479590627579066
Energy: 1.0694420519971106
Energy: 1.1479590627567444
Energy: 1.0687737539818898
Energy: 1.0333971256166092
Energy: 1.0687737539842144
Energy: 1.0333971256166092
Energy: 1.0687737539824707
Energy: 1.0333971256166092
Energy: 1.0645770123508964
Energy: 1.0870718125428882
Energy: 1.0645770123508964
Energy: 1.087071812547538
Energy: 1.0645770123508964
Energy: 1.0870718125487002
Energy: 1.0359146953174851
Energy: 1.0600839773836408
Energy: 1.0359146953186473
Energy: 1.0600839773824784
Energy: 1.0359146953174851
Energy: 1.0600839773836408
Energy: 1.1711283716853464
Energy: 1.0632703134099133
Energy: 1.1711283716853464
Energy: 1.0632703134104942
Energy: 1.1711283716824405
Energy: 1.0632703134104942
Energy: 1.0586724148867386
Energy: 1.0811615863658757
Energy: 1.0586724148861575
Energy: 1.0811615863658757
Energy: 1.0586724148867386
Energy: 1.0811615863658757
Energy: 1.0398078745631336
Energy: 1.099812974859144
Energy: 1.0398078745631336
Energy: 1.0998129748597252
Energy: 1.0398078745637147
Energy: 1.0998129748597252
Energy: 1.09134475937261
Energy: 1.0357763513377807
Energy: 1.09134475937261
Energy: 1.0357763513383618
Energy: 1.09134475937261
Energy: 1.0357763513377807
Energy: 1.1083689531590044
Energy: 1.0315901287129192
Energy: 1.1083689531601668
Energy: 1.0315901287135005
Energy: 1.1083689531595855
Energy: 1.0315901287135005
Energy: 1.0643423014805327
Energy: 1.1026931399361466
Energy: 1.0643423014805327
Energy: 1.102693139937309
Energy: 1.0643423014805327
Energy: 1.1026931399361466
Energy: 1.1220607641480753
Energy: 1.0308462252628048
Energy: 1.1220607641480753
Energy: 1.0308462252628048
Energy: 1.1220607641469125
Energy: 1.030846225263386
Energy: 1.034210078007728
Energy: 1.1494501498718588
Energy: 1.034210078007728
Energy: 1.1494501498712775
Energy: 1.034210078007728
Energy: 1.1494501498718588
Energy: 1.0485429081403388
Energy: 1.0721520767786283
Energy: 1.0485429081409203
Energy: 1.0721520767786283
Energy: 1.048542908143245
Energy: 1.0721520767786283
Energy: 1.0894389546208323
Energy: 1.0319345474730106
Energy: 1.0894389544541052
Energy: 1.0319345474730106
Energy: 1.0894389426922133
Energy: 1.0319345474730106
Energy: 1.0701219380715974
Energy: 1.050631596781638
Energy: 1.0701219380721787
Energy: 1.050631596781638
Energy: 1.0701219380733413
Energy: 1.0506315967810567
Energy: 1.034868992656836
Energy: 1.1132603874249367
Energy: 1.0348689926574173
Energy: 1.1132603874254914
Energy: 1.0348689926562549
Energy: 1.1132603874254914

minimum gb energy = 1.0308462252628048 eV
minimum distance =  2.31718715235144 Angstroms
sigma value = 57


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

Energy: 1.0634937449955657
Energy: 1.2593523268571982
Energy: 1.0634937449955657
Energy: 1.2593523268571982
Energy: 1.0634937449955657
Energy: 1.2593523268571982
Energy: 1.2040369720276207
Energy: 1.062171873122486
Energy: 1.2040369720276207
Energy: 1.0621718731245546
Energy: 1.2040369720276207
Energy: 1.0621718731235203
Energy: 1.1938211240750014
Energy: 1.0616605388401978
Energy: 1.1938211240750014
Energy: 1.0616605388401978
Energy: 1.1938211240760357
Energy: 1.0616605388401978
Energy: 1.0521939835525538
Energy: 1.341158273868521
Energy: 1.0521939835525538
Energy: 1.493208718974426
Energy: 1.0521939835525538
Energy: 1.2714501418940816
Energy: 1.194021001091606
Energy: 1.0616369012870053
Energy: 1.194021001091606
Energy: 1.0616369012870053
Energy: 1.194021001091606
Energy: 1.0616369012880393
Energy: 1.20405461809896
Energy: 1.062145185125994
Energy: 1.20405461809896
Energy: 1.1504160855987697
Energy: 1.2040546180999947
Energy: 1.101392640293552
Energy: 1.0634937449955657
Energy: 1.2593523268582325
Energy: 1.0634937449955657
Energy: 1.2593523268582325
Energy: 1.0634937449955657
Energy: 1.2593523268582325
Energy: 1.2040369720276207
Energy: 1.0621718731235203
Energy: 1.2040369720265864
Energy: 1.0621718731235203
Energy: 1.2040369720276207
Energy: 1.0621718731245546
Energy: 1.1938211240760357
Energy: 1.0616605388391638
Energy: 1.1938211240760357
Energy: 1.0616605388391638
Energy: 1.1938211240760357
Energy: 1.0616605388391638
Energy: 1.0521939835515193
Energy: 1.354127279541463
Energy: 1.0521939835515193
Energy: 1.3744458852505763
Energy: 1.0521939835515193
Energy: 1.2714501418951158
Energy: 1.1940210010905716
Energy: 1.0616369012870053
Energy: 1.194021001091606
Energy: 1.0616369012870053
Energy: 1.194021001091606
Energy: 1.0616369012870053
Energy: 1.2040546180999947
Energy: 1.062145185125994
Energy: 1.2040546180999947
Energy: 1.062145185125994
Energy: 1.2040546180999947
Energy: 1.062145185125994
Energy: 1.0634937449955657
Energy: 1.2593523268571982
Energy: 1.0634937449955657
Energy: 1.2593523268571982
Energy: 1.0634937449955657
Energy: 1.2593523268571982
Energy: 1.2040369720276207
Energy: 1.0621718731235203
Energy: 1.2040369720276207
Energy: 1.0621718731235203
Energy: 1.2040369720276207
Energy: 1.0621718731235203
Energy: 1.1938211240760357
Energy: 1.0616605388401978
Energy: 1.1938211240760357
Energy: 1.0616605388401978
Energy: 1.1938211240760357
Energy: 1.0616605388401978
Energy: 1.0521939835525538
Energy: 1.2714501418940816
Energy: 1.0521939835525538
Energy: 1.2714501418951158
Energy: 1.0521939835525538
Energy: 1.2714501418940816
Energy: 1.194021001091606
Energy: 1.0616369012870053
Energy: 1.194021001091606
Energy: 1.0616369012870053
Energy: 1.194021001091606
Energy: 1.0616369012870053

minimum gb energy = 1.0521939835515193 eV
minimum distance =  2.32941919916283 Angstroms
sigma value = 9


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

Energy: 1.189277027857869
Energy: 1.2421245759627548
Energy: 1.189277027857869
Energy: 1.2421245759627548
Energy: 1.189277027857869
Energy: 1.2421245759627548
Energy: 1.1689301865374915
Energy: 1.1650496335548157
Energy: 1.1689301865374915
Energy: 1.1650496335556602
Energy: 1.1689301865374915
Energy: 1.1650496335556602
Energy: 1.2005810375184396
Energy: 1.1566725460843033
Energy: 1.2462503983788524
Energy: 1.156672546083459
Energy: 1.216188894180037
Energy: 1.1566725460843033
Energy: 1.135783743525465
Energy: 1.2664461148811565
Energy: 1.135783743525465
Energy: 1.2664461148811565
Energy: 1.1357837435246205
Energy: 1.266446114882001
Energy: 1.1840151349865617
Energy: 1.1645301200279228
Energy: 1.1840151349848727
Energy: 1.1645301200279228
Energy: 1.1840151349865617
Energy: 1.1645301200279228
Energy: 1.2073907818351002
Energy: 1.1805385242437947
Energy: 1.2073907818351002
Energy: 1.1805385242429502
Energy: 1.2073907818351002
Energy: 1.1805385242437947
Energy: 1.1640851641320282
Energy: 1.2206480386007328
Energy: 1.1640851641320282
Energy: 1.2206480386015772
Energy: 1.1640851641320282
Energy: 1.2206480386007328
Energy: 1.116177746653787
Energy: 1.2301980837964839
Energy: 1.1161777466529428
Energy: 1.230198083797328
Energy: 1.1161777466529428
Energy: 1.2301980837956392
Energy: 1.30220298627626
Energy: 1.196020041969093
Energy: 1.3022029862754156
Energy: 1.196020041969093
Energy: 1.30220298627626
Energy: 1.1960200419682483
Energy: 1.13558469046006
Energy: 1.211986627012017
Energy: 1.13558469046006
Energy: 1.2119866270111725
Energy: 1.13558469046006
Energy: 1.2119866270111725
Energy: 1.167462962135811
Energy: 1.2171702399483533
Energy: 1.1674629621400334
Energy: 1.2171702399491975
Energy: 1.1674629621391888
Energy: 1.2171702399483533
Energy: 1.2262966090578025
Energy: 1.1907691276329853
Energy: 1.226296608759818
Energy: 1.1907691276329853
Energy: 1.2262966077232638
Energy: 1.1907691276321408
Energy: 1.1236141369289363
Energy: 1.18017559979964
Energy: 1.1236141369289363
Energy: 1.1801755997987953
Energy: 1.1236141369289363
Energy: 1.1801755997987953
Energy: 1.185203185502847
Energy: 1.2418215306409814
Energy: 1.185203185502847
Energy: 1.2418215306418259
Energy: 1.185203185502847
Energy: 1.2418215306409814
Energy: 1.2335934935457227
Energy: 1.177271204106792
Energy: 1.2335934935457227
Energy: 1.1772712041059479
Energy: 1.3141015247466044
Energy: 1.177271204106792
Energy: 1.1768581759396202
Energy: 1.233317519957158
Energy: 1.1768581759396202
Energy: 1.233317519957158
Energy: 1.1768581759396202
Energy: 1.233317519957158
Energy: 1.2128839442107435
Energy: 1.2503293302035487
Energy: 1.2128839442107435
Energy: 1.2503293302027043
Energy: 1.212883944209899
Energy: 1.2503293302035487
Energy: 1.3638702310769808
Energy: 1.1780635902012022
Energy: 1.3638702310761364
Energy: 1.1780635902012022
Energy: 1.3638702310761364
Energy: 1.1780635902012022
Energy: 1.1358379735172108
Energy: 1.2361492475796578
Energy: 1.1358379735172108
Energy: 1.2361492475771243
Energy: 1.1358379735172108
Energy: 1.2361492475779687
Energy: 1.1689819530785746
Energy: 1.17889392862911
Energy: 1.1689819530777301
Energy: 1.178893928630799
Energy: 1.1689819530768855
Energy: 1.1788939286299545
Energy: 1.2323736926837578
Energy: 1.1415684747321728
Energy: 1.232373692684602
Energy: 1.1415684747321728
Energy: 1.232373692684602
Energy: 1.1415684747321728

minimum gb energy = 1.1161777466529428 eV
minimum distance =  2.32228968271132 Angstroms
sigma value = 27


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

Energy: 1.1509442608973213
Energy: 1.2220853125965268
Energy: 1.1069072866024234
Energy: 1.2220853125965268
Energy: 1.1509442608973213
Energy: 1.2220853125951028
Energy: 1.1586833498333473
Energy: 1.1068012623277177
Energy: 1.1586833498333473
Energy: 1.1068012623284296
Energy: 1.1586833498333473
Energy: 1.1068012623270058
Energy: 1.274079141591413
Energy: 1.1004878168619843
Energy: 1.2740791415907011
Energy: 1.1004878168612724
Energy: 1.2740791415907011
Energy: 1.1004878168598489
Energy: 1.1330705457109826
Energy: 1.2566704653731633
Energy: 1.1330705457124062
Energy: 1.2566704653731633
Energy: 1.1330705457116945
Energy: 1.2566704653724514
Energy: 1.1067127204920653
Energy: 1.0712888040833421
Energy: 1.1067127204927774
Energy: 1.0712888040833421
Energy: 1.1067127204920653
Energy: 1.0712888040833421
Energy: 1.2223376947261835
Energy: 1.1056418713583378
Energy: 1.2223376947283189
Energy: 1.1056418713583378
Energy: 1.2223376947276072
Energy: 1.1056418713590497
Energy: 1.1064010444689294
Energy: 1.1593071038420037
Energy: 1.1064010444689294
Energy: 1.1593071038420037
Energy: 1.1064010444689294
Energy: 1.1593071038420037
Energy: 1.2578961211545938
Energy: 1.275137924644122
Energy: 1.2578961211538822
Energy: 1.275137924644122
Energy: 1.2578961211538822
Energy: 1.2751379246426982
Energy: 1.1578385699637401
Energy: 1.1065778819547705
Energy: 1.1578385699616047
Energy: 1.1065778819547705
Energy: 1.1578385699637401
Energy: 1.1065778819540588
Energy: 1.1505105916550322
Energy: 1.0946436142660274
Energy: 1.1505105916550322
Energy: 1.0946436142660274
Energy: 1.1505105916550322
Energy: 1.0946436142631801
Energy: 1.108757981279017
Energy: 1.2017620747590776
Energy: 1.1087579812783053
Energy: 1.2017620747605013
Energy: 1.1087579812783053
Energy: 1.2017620747605013
Energy: 1.161339607169158
Energy: 1.1059070891119414
Energy: 1.161339607169158
Energy: 1.1059070891119414
Energy: 1.1613396071698698
Energy: 1.1059070891119414
Energy: 1.2761887079907845
Energy: 1.2812960858343383
Energy: 1.2761887079914964
Energy: 1.2812960858343383
Energy: 1.2761887079907845
Energy: 1.2812960858350502
Energy: 1.1067466412167979
Energy: 1.1602007874524123
Energy: 1.1067466412175095
Energy: 1.1602007874524123
Energy: 1.1067466412167979
Energy: 1.1602007874524123
Energy: 1.2248901334555617
Energy: 1.1058459772103748
Energy: 1.2248901334569855
Energy: 1.1058459772103748
Energy: 1.2248901334562736
Energy: 1.1058459772089513
Energy: 1.1068152991185394
Energy: 1.0708115191586107
Energy: 1.1068152991185394
Energy: 1.0708115191586107
Energy: 1.1068152991164038
Energy: 1.0708115191607461
Energy: 1.1074762116567425
Energy: 1.2585570971967621
Energy: 1.1074762116560306
Energy: 1.2585570971974738
Energy: 1.1074762116567425
Energy: 1.2585570971967621
Energy: 1.236020958668616
Energy: 1.0986714752278135
Energy: 1.2360209586679043
Energy: 1.0986714752271018
Energy: 1.236020958668616
Energy: 1.0986714752285254
Energy: 1.2002116674391723
Energy: 1.106376096635041
Energy: 1.1574563079110927
Energy: 1.106376096635041
Energy: 1.2002116674384602
Energy: 1.1063760966371767
Energy: 1.1509442608980331
Energy: 1.2220853125979505
Energy: 1.1069072866017116
Energy: 1.2220853125979505
Energy: 1.1509442608980331
Energy: 1.2220853125958147
Energy: 1.1586833498340592
Energy: 1.1068012623277177
Energy: 1.1586833498340592
Energy: 1.1068012623284296
Energy: 1.1586833498340592
Energy: 1.1068012623262937
Energy: 1.274079141591413
Energy: 1.1004878168619843
Energy: 1.274079141591413
Energy: 1.1004878168619843
Energy: 1.2740791415907011
Energy: 1.1004878168612724
Energy: 1.1330705457109826
Energy: 1.2566704653724514
Energy: 1.1330705457109826
Energy: 1.2566704653745868
Energy: 1.1330705457109826
Energy: 1.2566704653731633
Energy: 1.1067127204920653
Energy: 1.0712888040826303
Energy: 1.1067127204927774
Energy: 1.0712888040826303
Energy: 1.1067127204927774
Energy: 1.0712888040826303
Energy: 1.2223376947276072
Energy: 1.1056418713590497
Energy: 1.2223376947261835
Energy: 1.1056418713590497
Energy: 1.2223376947283189
Energy: 1.1056418713590497

minimum gb energy = 1.0708115191586107 eV
minimum distance =  2.33266712265047 Angstroms
sigma value = 19


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

Energy: 1.1195662547591358
Energy: 1.1640648357117251
Energy: 1.1195662547585215
Energy: 1.1640648357111107
Energy: 1.1195662547566783
Energy: 1.1640648357111107
Energy: 1.1516265093171882
Energy: 1.0675389969196194
Energy: 1.1516265093165738
Energy: 1.0675389969190046
Energy: 1.1516265093165738
Energy: 1.0675389969196194
Energy: 1.1386809042593782
Energy: 1.05239491208675
Energy: 1.1893302835206656
Energy: 1.05239491208675
Energy: 1.1532026071580523
Energy: 1.05239491208675
Energy: 1.0576086513572736
Energy: 1.1116617717421775
Energy: 1.0576086513572736
Energy: 1.111661771741563
Energy: 1.0576086513566594
Energy: 1.1116617717421775
Energy: 1.070329988241154
Energy: 1.1154326334855083
Energy: 1.070329988241154
Energy: 1.1154326334848939
Energy: 1.070329988241154
Energy: 1.1154326334842792
Energy: 1.1351063864311786
Energy: 1.0792404967801543
Energy: 1.1351063864311786
Energy: 1.0792404967801543
Energy: 1.1351063864311786
Energy: 1.0792404967801543
Energy: 1.045673710034739
Energy: 1.1101005483603743
Energy: 1.0456737100353535
Energy: 1.1101005483603743
Energy: 1.045673710034739
Energy: 1.1101005483603743
Energy: 1.0708600335766405
Energy: 1.1461459757946078
Energy: 1.0708600335766405
Energy: 1.1461459757946078
Energy: 1.0708600335766405
Energy: 1.1461459757946078
Energy: 1.1989284997604543
Energy: 1.0555160606478817
Energy: 1.198928499755539
Energy: 1.0555160606472676
Energy: 1.198928499756768
Energy: 1.0555160606478817
Energy: 1.081613651975376
Energy: 1.0984243447265571
Energy: 1.081613651975376
Energy: 1.0984243447265571
Energy: 1.081613651975376
Energy: 1.098424344725943
Energy: 1.0648335731609704
Energy: 1.1570907530499728
Energy: 1.0648335731615848
Energy: 1.1570907530512016
Energy: 1.0648335731609704
Energy: 1.1570907530505872
Energy: 1.1485530616585922
Energy: 1.057076233735175
Energy: 1.1485530616585922
Energy: 1.057076233735175
Energy: 1.1485530616592066
Energy: 1.057076233735175
Energy: 1.0707166804231865
Energy: 1.1283711345925636
Energy: 1.0707166804238006
Energy: 1.1283711345925636
Energy: 1.0707166804231865
Energy: 1.1283711345925636
Energy: 1.075737304077219
Energy: 1.1312901333980336
Energy: 1.075737304077219
Energy: 1.1312901333980336
Energy: 1.075737304077219
Energy: 1.1312901333974192
Energy: 1.1260854520227648
Energy: 1.0567568193302967
Energy: 1.1260854520227648
Energy: 1.0567568193309111
Energy: 1.1260854520233514
Energy: 1.0567568193309111
Energy: 1.1287683014365169
Energy: 1.071522499437799
Energy: 1.1287683014359027
Energy: 1.0715224994384134
Energy: 1.1287683014359027
Energy: 1.071522499437799
Energy: 1.058966401880703
Energy: 1.1366560924018017
Energy: 1.058966401880703
Energy: 1.1366560924011873
Energy: 1.058966401880703
Energy: 1.1366560924018017
Energy: 1.114628396703694
Energy: 1.087667296450913
Energy: 1.114628396703694
Energy: 1.0876672964515275
Energy: 1.114628396703694
Energy: 1.0876672964521419
Energy: 1.141709767886644
Energy: 1.0980807976799887
Energy: 1.141709767886644
Energy: 1.0980807976806033
Energy: 1.141709767886644
Energy: 1.0980807976799887
Energy: 1.0583182506861324
Energy: 1.1760541660241388
Energy: 1.0583182506861324
Energy: 1.1760541660241388
Energy: 1.0583182506867468
Energy: 1.1760541660241388
Energy: 1.039218231911892
Energy: 1.1452256080062828
Energy: 1.039218231911892
Energy: 1.1452256080062828
Energy: 1.039218231911892
Energy: 1.1452256080062828
Energy: 1.211302794175914
Energy: 1.0516157602771805
Energy: 1.2113027941765282
Energy: 1.0516157602777951
Energy: 1.2113027941783716
Energy: 1.0516157602771805
Energy: 1.113112120170684
Energy: 1.1283623601364243
Energy: 1.1131121201712983
Energy: 1.1283623601364243
Energy: 1.113112120170684
Energy: 1.1283623601364243
Energy: 1.1083191693200067
Energy: 1.1477976298497612
Energy: 1.1083191693193923
Energy: 1.1477976298503756
Energy: 1.1083191693193923
Energy: 1.1477976298497612
Energy: 1.118837662136837
Energy: 1.0538124543028478
Energy: 1.1188376621374516
Energy: 1.0538124543028478
Energy: 1.1188376621374516
Energy: 1.0538124543028478
Energy: 1.1120708261344119
Energy: 1.081475013495165
Energy: 1.1120708261337975
Energy: 1.081475013495165
Energy: 1.1120708261344119
Energy: 1.081475013495165
Energy: 1.0476623818567543
Energy: 1.1481093328320022
Energy: 1.047662381857369
Energy: 1.1481093328313878
Energy: 1.0476623818567543
Energy: 1.1481093328320022
Energy: 1.113447626661308
Energy: 1.0775444384472808
Energy: 1.113447626661308
Energy: 1.0775444384460522
Energy: 1.113447626661308
Energy: 1.0775444384460522
Energy: 1.1430463353206235
Energy: 1.0969320714311368
Energy: 1.1430463353206235
Energy: 1.0969320714311368
Energy: 1.143046335320009
Energy: 1.0969320714311368

minimum gb energy = 1.039218231911892 eV
minimum distance =  2.31535054920639 Angstroms
sigma value = 101


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

Energy: 1.0741834913957578
Energy: 1.0745359788312028
Energy: 1.0741834913941373
Energy: 1.0745359788317432
Energy: 1.0741834913946775
Energy: 1.0745359788317432
Energy: 1.05639373429569
Energy: 1.0361565910030708
Energy: 1.05639373429569
Energy: 1.0489712939256013
Energy: 1.05639373429569
Energy: 1.0273530075024144
Energy: 1.0746391795506773
Energy: 1.0150661911586962
Energy: 1.0746391795506773
Energy: 1.0150661911586962
Energy: 1.0746391795512173
Energy: 1.0150661911586962
Energy: 0.9856839092027132
Energy: 1.1688314178842034
Energy: 0.9856839092027132
Energy: 1.1577031813048086
Energy: 0.9856839092021732
Energy: 1.147949737565479
Energy: 1.0210164646443656
Energy: 1.064673057901749
Energy: 1.0210164646443656
Energy: 1.0646730579012087
Energy: 1.0210164646449056
Energy: 1.064673057901749
Energy: 1.0488929269339065
Energy: 1.0130076366773886
Energy: 1.0488929269339065
Energy: 1.0130076366779288
Energy: 1.0488929269333662
Energy: 1.0130076366773886
Energy: 1.0189296435789112
Energy: 1.0788747065908935
Energy: 1.0189296435789112
Energy: 1.0788747065925142
Energy: 1.0189296435794513
Energy: 1.0788747065903534
Energy: 0.9927351966428929
Energy: 1.0779986442914544
Energy: 0.9927351966428929
Energy: 1.1667993470206417
Energy: 0.9927351966428929
Energy: 1.0735441465724371
Energy: 1.0502898793251099
Energy: 1.00856090792924
Energy: 1.0502898793251099
Energy: 1.00856090792924
Energy: 1.0502898793251099
Energy: 1.00856090792924
Energy: 1.0192085598216951
Energy: 1.0365228028955515
Energy: 1.0192085598222351
Energy: 1.119969152498348
Energy: 1.0192085598227751
Energy: 1.0641004034564803
Energy: 0.9905291531985131
Energy: 1.2781562615258848
Energy: 0.9905291531985131
Energy: 1.2781562615145419
Energy: 0.9905291531985131
Energy: 1.2781562615026592
Energy: 1.1412350537740636
Energy: 1.061134777678099
Energy: 1.1412350537714122
Energy: 1.0503887005973016
Energy: 1.1412350537735236
Energy: 1.0199117387287946
Energy: 1.0372761723786874
Energy: 1.0146784260950723
Energy: 1.0372761723792279
Energy: 1.0146784260956125
Energy: 1.0372761723786874
Energy: 1.0146784260950723
Energy: 1.0929123903648814
Energy: 1.0713046033106626
Energy: 1.0929123903654214
Energy: 1.225463216336382
Energy: 1.0929123903643412
Energy: 1.0666483313916495
Energy: 1.056047037796927
Energy: 1.1171911113452004
Energy: 1.0560470377974673
Energy: 1.1171911113462807
Energy: 1.0560470377985476
Energy: 1.1171911113468207
Energy: 1.0733542022458178
Energy: 1.010102058721454
Energy: 1.0733542022474383
Energy: 1.010102058721454
Energy: 1.0733542022468983
Energy: 1.010102058721454
Energy: 0.990665497245011
Energy: 1.168145148580986
Energy: 0.9906654972444708
Energy: 1.1681451485799057
Energy: 0.990665497245011
Energy: 1.168145148580986
Energy: 0.9926701911692281
Energy: 1.0380688329675731
Energy: 0.9926701911697683
Energy: 1.0380688329681134
Energy: 0.9926701911692281
Energy: 1.0380688329697336
Energy: 1.0516320712637288
Energy: 1.0092625876457058
Energy: 1.0516320712648088
Energy: 1.0092625876462455
Energy: 1.0516320712637288
Energy: 1.009262587646786
Energy: 1.0182092287753168
Energy: 1.0187033531898977
Energy: 1.0182092287747766
Energy: 1.0187033531909777
Energy: 1.0182092287747766
Energy: 1.0187033531904377
Energy: 0.9873320832795878
Energy: 1.1917156881856397
Energy: 0.9873320832801279
Energy: 1.1917156881878
Energy: 0.9873320832795878
Energy: 1.1917156881856397
Energy: 1.089387109552102
Energy: 1.0127260734216275
Energy: 1.089387109552642
Energy: 1.0127260734221677
Energy: 1.089387109553182
Energy: 1.0127260734221677
Energy: 1.0891794621550432
Energy: 1.0150008897854081
Energy: 1.0891794621550432
Energy: 1.0150008897859482
Energy: 1.089179462154503
Energy: 1.0150008897859482
Energy: 0.9860545567068291
Energy: 1.2131723728519221
Energy: 0.9860545567062889
Energy: 1.2131723728524624
Energy: 0.9860545567062889
Energy: 1.2131723728524624
Energy: 1.0919651069884702
Energy: 1.119315298151698
Energy: 1.0919651069879297
Energy: 1.119315298151698
Energy: 1.0919651069879297
Energy: 1.119315298151158
Energy: 1.1126633073369798
Energy: 1.0618536132355798
Energy: 1.1126633073375198
Energy: 1.0618536132355798
Energy: 1.1126633073386
Energy: 1.0618536132366598
Energy: 1.0891497004834658
Energy: 1.059941271894441
Energy: 1.0891497004834658
Energy: 1.059941271894981
Energy: 1.0891497004840058
Energy: 1.059941271894981
Energy: 1.0594844311369982
Energy: 1.074259178157943
Energy: 1.0594844311359177
Energy: 1.0742591781574027
Energy: 1.059484431136458
Energy: 1.074259178158483
Energy: 1.158165608898151
Energy: 1.0090545098769472
Energy: 1.158165608898151
Energy: 1.0090545098769472
Energy: 1.158165608898151
Energy: 1.0090545098769472
Energy: 0.9861769579256269
Energy: 1.0739636613652699
Energy: 0.9861769579256269
Energy: 1.0739636613663504
Energy: 0.9861769579256269
Energy: 1.07396366136473
Energy: 0.9906419606814674
Energy: 1.20681702955585
Energy: 0.9906419606814674
Energy: 1.2068170295563905
Energy: 0.9906419606809274
Energy: 1.2068170295563905
Energy: 1.0888856828903266
Energy: 1.0138450223435138
Energy: 1.0888856828908666
Energy: 1.0138450223435138
Energy: 1.0888856828903266
Energy: 1.0138450223440536
Energy: 1.08884209273605
Energy: 1.0085859254308795
Energy: 1.08884209273605
Energy: 1.0085859254303393
Energy: 1.0888420927376703
Energy: 1.0085859254308795

minimum gb energy = 0.9856839092021732 eV
minimum distance =  2.32682212526764 Angstroms
sigma value = 33


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

Energy: 0.01891017618032057
Energy: 0.858777387940407
Energy: 0.01891017618032057
Energy: 0.8587773879400081
Energy: 0.01891017618032057
Energy: 0.8587773879386618
Energy: 0.02019636157694255
Energy: 0.2977436054076006
Energy: 0.020196361577391325
Energy: 0.2977436054071518
Energy: 0.020196361577391325
Energy: 0.2977436054071518
Energy: 1.0645970222330385
Energy: 0.2976294949977873
Energy: 2.0278322476359625
Energy: 0.29762949499823604
Energy: 2.1807087322101975
Energy: 0.2976294949973884
Energy: 0.020196361577391325
Energy: 0.2977436054071518
Energy: 0.020196361577391325
Energy: 0.2977436054071518
Energy: 0.020196361577391325
Energy: 0.2977436054071518

minimum gb energy = 0.01891017618032057 eV
minimum distance =  2.52675206139658 Angstroms
sigma value = 1