Model name: model_name=MEAM_LAMMPS_AsadiZaeemNouranian_2015_Fe__MO_492310898779_001
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=3.604343503713608
cohesive_energy=4.246784762095345
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: 0.01651038282288779
Energy: 1.2763908416459158
Energy: 0.01651038282288779
Energy: 1.2763908416462313
Energy: 0.01651038282288779
Energy: 1.2763908416459158
Energy: 1.2763908416459158
Energy: 0.01659208220889944
Energy: 1.2763908416462313
Energy: 0.01659208220889944
Energy: 1.2763908416459158
Energy: 0.016592082209845836
Energy: 0.01651038282288779
Energy: 1.2763908416459158
Energy: 0.01651038282288779
Energy: 1.2763908416462313
Energy: 0.01651038282288779
Energy: 1.2763908416456002
Energy: 1.2763908416462313
Energy: 0.016592082209214903
Energy: 1.2763908416462313
Energy: 0.016592082209214903
Energy: 1.2763908416462313
Energy: 0.016592082209214903
Energy: 0.01651038282288779
Energy: 1.2763908416459158
Energy: 0.01651038282288779
Energy: 1.2763908416462313
Energy: 0.01651038282288779
Energy: 1.2763908416456002
Energy: 1.2763908416459158
Energy: 0.016592082209845836
Energy: 1.2763908416456002
Energy: 0.016592082209845836
Energy: 1.2763908416456002
Energy: 0.01659208220953037

minimum gb energy = 0.01651038282288779 eV
minimum distance =  2.54750236365013 Angstroms
sigma value = 1


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

Energy: 1.177667542038264
Energy: 1.0329137505139097
Energy: 1.1776675420375047
Energy: 1.0329137505123909
Energy: 1.1776675420367455
Energy: 1.0329137505139097
Energy: 1.3616586244536302
Energy: 0.9319055580825045
Energy: 1.3616586244521114
Energy: 0.9319055580832638
Energy: 1.361658624449833
Energy: 0.9319055580825045
Energy: 1.0732630159342682
Energy: 1.0855984698573116
Energy: 1.0732630159342682
Energy: 1.085598259287404
Energy: 1.0732630159350278
Energy: 1.085597986199494
Energy: 1.206057022844477
Energy: 1.0108717187779512
Energy: 1.20605702284068
Energy: 1.0108717187787106
Energy: 1.206057022844477
Energy: 1.0108717187787106
Energy: 1.0803764516607188
Energy: 1.151685021464424
Energy: 1.0803764516645156
Energy: 1.1516850214659429
Energy: 1.0803764516607188
Energy: 1.151685021466702
Energy: 1.1213663001659473
Energy: 0.9906253792294766
Energy: 1.121366300166707
Energy: 0.9906253792309953
Energy: 1.121366300166707
Energy: 0.9906253792317546
Energy: 1.0756542618450735
Energy: 1.1472810666677402
Energy: 1.0756542614299087
Energy: 1.1472810666366062
Energy: 1.0756542603126082
Energy: 1.147281066541686
Energy: 1.0110375318242755
Energy: 1.2449759551298714
Energy: 1.0110375318242755
Energy: 1.24497595513139
Energy: 1.011037531823516
Energy: 1.2449759551298714
Energy: 1.1471876957834417
Energy: 1.1497280810020634
Energy: 1.1471876957849605
Energy: 1.1497280810043415
Energy: 1.147187695784201
Energy: 1.1497280810043415
Energy: 0.9300970399531496
Energy: 1.2294562938462905
Energy: 0.9300970399531496
Energy: 0.6271194725504576
Energy: 0.9300970399531496
Energy: 0.6265204209191463
Energy: 1.1118376811197594
Energy: 0.9960888834371131
Energy: 0.6326054474991836
Energy: 0.9960888834363537
Energy: 0.6326730249169932
Energy: 0.9960888834371131
Energy: 0.8815762752815538
Energy: 1.1116938130162994
Energy: 0.8815762752815538
Energy: 1.1116710885735808
Energy: 0.8815762752815538
Energy: 0.6650788195755549
Energy: 1.251382125769888
Energy: 0.868681363199176
Energy: 1.2513821257706474
Energy: 0.868681363199176
Energy: 1.2513821257683693
Energy: 0.8686813631984167
Energy: 1.0111917821363807
Energy: 1.0948788671377756
Energy: 1.0111917821363807
Energy: 1.0948787524177275
Energy: 1.0111917821363807
Energy: 1.0948784194243717
Energy: 1.3067846224594852
Energy: 0.9337230788556168
Energy: 1.3067846224602446
Energy: 0.9337230788556168
Energy: 1.306784622457207
Energy: 0.9337230788548574
Energy: 1.3303059521286962
Energy: 1.1400870008566528
Energy: 1.3303059521286962
Energy: 1.1400870008574124
Energy: 1.3303059521279368
Energy: 1.1400870008566528
Energy: 1.1332007480091668
Energy: 1.0954702840324655
Energy: 1.133200748003092
Energy: 1.095470284031706
Energy: 1.1332007479932202
Energy: 1.0954702840324655
Energy: 1.1332174398966752
Energy: 1.0271258559806073
Energy: 1.1332174398868031
Energy: 1.0271258559199274
Energy: 1.1332174398291608
Energy: 1.0271258558014666
Energy: 1.0114324360008826
Energy: 1.0101638538843223
Energy: 1.0114324360016418
Energy: 1.0101638538744504
Energy: 1.0114324360016418
Energy: 1.0101638538083857
Energy: 1.1108273697503979
Energy: 0.9906683836977787
Energy: 1.1108273697519166
Energy: 0.9906683836932226
Energy: 1.1108273697534354
Energy: 0.990668383693982
Energy: 0.9490448093923824
Energy: 1.227267147012722
Energy: 0.9490448093923824
Energy: 1.227267147012722
Energy: 0.9490448093923824
Energy: 1.2272671470119627
Energy: 1.1514203878221518
Energy: 1.1490675049995145
Energy: 1.1514203878213924
Energy: 1.1490675049987553
Energy: 1.1514203878198739
Energy: 1.1490675049987553
Energy: 0.9151346664543359
Energy: 1.294491219902673
Energy: 0.8615170736068567
Energy: 1.2944912199072292
Energy: 0.8615170736068567
Energy: 1.2944912199057106

minimum gb energy = 0.6265204209191463 eV
minimum distance =  2.32541154305828 Angstroms
sigma value = 33


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

Energy: 1.2089452765807784
Energy: 1.2232102761527823
Energy: 1.2089452765812103
Energy: 1.2232102761527823
Energy: 1.2089452765807784
Energy: 1.223210276153646
Energy: 1.2488274897454503
Energy: 1.046934405385558
Energy: 1.2488274857545567
Energy: 1.04693440538599
Energy: 1.2488274763419245
Energy: 1.046934405386854
Energy: 0.8856406368378609
Energy: 1.0453916936660508
Energy: 0.885640636837429
Energy: 1.0453916936565486
Energy: 0.8856406368382926
Energy: 1.0453916936371122
Energy: 1.1082967169102576
Energy: 1.1081078048604227
Energy: 1.1082967169119853
Energy: 0.7623765596744572
Energy: 1.1082967169093936
Energy: 0.7627008991582082
Energy: 1.0469457311238968
Energy: 1.0985587333182258
Energy: 1.0469457311230328
Energy: 1.0985587332961977
Energy: 1.0469457311243284
Energy: 1.0985587332737767
Energy: 1.044714936318839
Energy: 0.8854766964134029
Energy: 1.0447149359928545
Energy: 0.8854766964134029
Energy: 1.044714935209699
Energy: 0.8854766964134029
Energy: 1.2231060813817205
Energy: 1.1981200377007217
Energy: 1.2231058340655594
Energy: 1.1981200377002899
Energy: 1.2231051864737283
Energy: 1.1981200377015857
Energy: 0.8762584127876655
Energy: 1.1967065598702398
Energy: 0.8762584127868017
Energy: 1.1967065598698081
Energy: 0.8762584127872337
Energy: 1.1967065598680804
Energy: 1.0730851472179703
Energy: 0.8899504610310941
Energy: 1.0730851472184022
Energy: 0.8899504610310941
Energy: 1.07308514722013
Energy: 0.8899504610310941
Energy: 0.8475751939910503
Energy: 1.1238570595904303
Energy: 0.8475751939914822
Energy: 1.1238560828062127
Energy: 0.8475751939906185
Energy: 1.1238533529165557
Energy: 1.124224270795989
Energy: 0.8506732430536695
Energy: 1.1242103053899604
Energy: 0.8506732430536695
Energy: 0.7630652457573177
Energy: 0.8506732430532378
Energy: 0.887248613080381
Energy: 0.9410535185755629
Energy: 0.887248613080381
Energy: 0.9410535185755629
Energy: 0.8872486130808132
Energy: 0.9410535185755629
Energy: 1.2522734136786204
Energy: 0.8743099042175322
Energy: 1.2522733945334978
Energy: 0.8743099042171003
Energy: 1.2522733444703162
Energy: 0.8743099042171003
Energy: 1.1980544418219359
Energy: 1.223490445047542
Energy: 1.1980544418219359
Energy: 1.2234904369469362
Energy: 1.198054441822368
Energy: 1.2234904124582928
Energy: 1.0662776369477807
Energy: 1.0452783860752999
Energy: 1.0662776369262235
Energy: 1.0452783860752999
Energy: 1.0662776369339984
Energy: 1.0452783860718446
Energy: 0.88557708835749
Energy: 1.0448135926563524
Energy: 0.8855770883579218
Energy: 1.0448135926554887
Energy: 0.8855770883570581
Energy: 1.04481359264901
Energy: 1.1090975217348802
Energy: 1.108983762744984
Energy: 1.1090975092604216
Energy: 1.1089837627445518
Energy: 1.1090974842234709
Energy: 1.1089837627454155
Energy: 1.045048377165825
Energy: 0.8855266001473666
Energy: 1.0450483771632335
Energy: 0.8855266001473666
Energy: 1.0450483771632335
Energy: 0.8855266001473666
Energy: 1.0465476302066714
Energy: 1.0659967159614447
Energy: 1.0465476302071035
Energy: 1.0659967159510786
Energy: 1.0465476302066714
Energy: 1.0659967158936328
Energy: 1.2253060886720768
Energy: 1.2007168400059511
Energy: 1.2253060886694855
Energy: 1.200716840006815
Energy: 1.2253060886712133
Energy: 1.200716840006815
Energy: 0.8734347725494354
Energy: 1.2638439126830223
Energy: 0.8734347725490035
Energy: 1.2638435678429543
Energy: 0.8734347725494354
Energy: 1.2638427127509573
Energy: 1.0451501602295348
Energy: 0.8902665581611917
Energy: 1.0451501602044833
Energy: 0.89026655816076
Energy: 1.045150160122889
Energy: 0.8902665581611917
Energy: 0.8477973600237977
Energy: 0.7638565763251727
Energy: 0.8477973600242295
Energy: 0.7639264439994267
Energy: 0.8477973600237977
Energy: 0.7639439812219272
Energy: 1.1272995994249277
Energy: 1.0463792934455585
Energy: 1.1272995994262236
Energy: 1.0463792934455585
Energy: 1.1272995994206088
Energy: 1.0463792934455585
Energy: 0.8854248034474423
Energy: 1.1000636495650042
Energy: 0.8854248034478743
Energy: 1.1000636495650042
Energy: 0.8854248034483061
Energy: 1.1000636495650042
Energy: 1.1968132531314892
Energy: 1.2260926934914733
Energy: 1.1968132531323532
Energy: 1.2260926934919054
Energy: 1.196813253128466
Energy: 1.2260926934919054
Energy: 1.1967801634276205
Energy: 1.2260963558714066
Energy: 1.196780163430644
Energy: 1.2260963558735662
Energy: 1.1967801634297803
Energy: 1.2260963558722704
Energy: 0.8854791484570216
Energy: 1.1002465935267407
Energy: 0.8854791484565895
Energy: 1.1002465935280366
Energy: 0.8854791484565895
Energy: 1.1002465935280366
Energy: 1.1275207843164108
Energy: 1.0468377925482721
Energy: 1.1275207843172745
Energy: 1.046837792548704
Energy: 1.1275207843168427
Energy: 1.0468377925478403
Energy: 0.8478159324239681
Energy: 0.7630598715778009
Energy: 0.8478159324239681
Energy: 0.763964103656118
Energy: 0.8478159324239681
Energy: 0.7638486731692148
Energy: 1.0454008987035859
Energy: 0.8901077970420698
Energy: 1.0454008986876044
Energy: 0.8901077970420698
Energy: 1.0454008986202639
Energy: 0.8901077970420698
Energy: 0.8734387722287998
Energy: 1.2633290066527378
Energy: 0.8734387722296637
Energy: 1.2633251132730217
Energy: 0.8734387722296637
Energy: 1.2633141848883913
Energy: 1.2252972064631649
Energy: 1.2007371542096967
Energy: 1.2252972064670522
Energy: 1.2007371542092649
Energy: 1.2252972064661884
Energy: 1.200737154208833
Energy: 1.0465568626160173
Energy: 1.065799715125692
Energy: 1.0465568626164494
Energy: 1.0657997150734686
Energy: 1.0465568626164494
Energy: 1.065799714909848
Energy: 1.044980296348095
Energy: 0.8856123066684025
Energy: 1.0449802963524142
Energy: 0.8856123066684025
Energy: 1.0449802963467991
Energy: 0.8856123066684025
Energy: 1.109369718277864
Energy: 1.1088337522762448
Energy: 1.109369713295274
Energy: 1.1088337522771086
Energy: 1.1093696907282184
Energy: 1.1088337522779723
Energy: 0.8855195278239956
Energy: 1.0447780968589973
Energy: 0.8855195278239956
Energy: 1.0447780968585654
Energy: 0.8855195278239956
Energy: 1.0447780968594294
Energy: 1.06617641248955
Energy: 1.045260450253542
Energy: 1.0661764124865265
Energy: 1.0452604502539737
Energy: 1.066176412488686
Energy: 1.045260450247063
Energy: 1.198014930150955
Energy: 1.2237433418011465
Energy: 1.198014930150091
Energy: 1.2237433357784848
Energy: 1.198014930149659
Energy: 1.223743319106752
Energy: 1.2522787084428155
Energy: 0.8744154527673387
Energy: 1.2522787084125806
Energy: 0.8744154527673387
Energy: 1.2522787082990636
Energy: 0.8744154527669067
Energy: 0.8870713433710571
Energy: 0.9410360724031053
Energy: 0.8870713433710571
Energy: 0.941036072403537
Energy: 0.8870713433710571
Energy: 0.9410360724031053

minimum gb energy = 0.7623765596744572 eV
minimum distance =  2.35340170311909 Angstroms
sigma value = 51


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

Energy: 1.1314573104133256
Energy: 1.1284234830855904
Energy: 1.1314573104133256
Energy: 1.1284234830855904
Energy: 1.1314573104133256
Energy: 1.1284234830845894
Energy: 1.1831940873000217
Energy: 1.0143554589088317
Energy: 1.183179871172785
Energy: 1.0143554589088317
Energy: 1.1831342372043498
Energy: 1.0143554589088317
Energy: 0.997816863949062
Energy: 1.0650405263436906
Energy: 0.997816863949062
Energy: 0.6282863061559804
Energy: 0.9978168639500629
Energy: 0.6282839792652047
Energy: 1.0882774820128647
Energy: 0.9003018591939288
Energy: 1.0882774820128647
Energy: 0.9003018591939288
Energy: 1.0882774820138654
Energy: 0.9003018591939288
Energy: 1.1223673896197544
Energy: 1.0938040104966766
Energy: 1.122367389620755
Energy: 1.0938040104946751
Energy: 1.1223673896187538
Energy: 1.0938040104966766
Energy: 1.155412812137518
Energy: 1.0937823694067577
Energy: 1.155412812137518
Energy: 1.0937823694057571
Energy: 1.155412812137518
Energy: 1.0937823694057571
Energy: 1.0446290175305315
Energy: 1.0937282780585802
Energy: 1.0446276832201926
Energy: 1.0937282780585802
Energy: 1.0446236390941102
Energy: 1.0937282780585802
Energy: 1.0001596353989068
Energy: 1.0943004025591312
Energy: 1.000159635397906
Energy: 1.094300402399055
Energy: 1.000159635397906
Energy: 1.094300402011943
Energy: 1.2648530820707158
Energy: 0.8970222297177894
Energy: 1.2648530820246808
Energy: 0.8970222297187901
Energy: 1.2648530819036343
Energy: 0.8970222297177894
Energy: 0.9272452423307792
Energy: 1.2458814132500708
Energy: 0.9272452423307792
Energy: 1.2458814132500708
Energy: 0.9272452423317799
Energy: 1.2458814132430656
Energy: 1.2634495294867294
Energy: 0.9035256178900656
Energy: 1.2634463808404148
Energy: 0.9035256178900656
Energy: 1.2634373894690882
Energy: 0.9035256178900656
Energy: 1.1308818064916593
Energy: 1.1288598047588065
Energy: 1.1308818064946617
Energy: 1.1288598047608078
Energy: 1.130881806493661
Energy: 1.1288598047598073
Energy: 1.3340627120522794
Energy: 1.0144532155848023
Energy: 1.3340627120522794
Energy: 1.0144532155848023
Energy: 1.334062712049277
Energy: 1.0144532155838015
Energy: 1.0716678916879558
Energy: 1.0283566825542174
Energy: 1.0716678916889566
Energy: 1.0283566825532167
Energy: 1.071667891686955
Energy: 1.0283566825542174
Energy: 1.09556001158903
Energy: 1.131110431342741
Energy: 1.0955600115910316
Energy: 1.1311104313437415
Energy: 1.09556001158903
Energy: 1.131110431342741
Energy: 1.1503431404364453
Energy: 1.093767091069101
Energy: 1.1503431404374462
Energy: 1.0937670910701018
Energy: 1.1503431404364453
Energy: 1.0937670910701018
Energy: 1.1224040108201092
Energy: 1.2141198448573562
Energy: 1.1224040108211102
Energy: 1.214119844854354
Energy: 1.1224040108201092
Energy: 1.2141198448563557
Energy: 1.0456383441052948
Energy: 1.0963884300659044
Energy: 1.045638344104294
Energy: 1.0963884300649036
Energy: 1.0456383441052948
Energy: 1.0963884300659044

minimum gb energy = 0.6282839792652047 eV
minimum distance =  2.26869055583144 Angstroms
sigma value = 19


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

Energy: 0.885035417604096
Energy: 0.8650658785798114
Energy: 0.885035417604096
Energy: 0.8650658785798114
Energy: 0.885035417604096
Energy: 0.8650658785798114
Energy: 0.9670078951960283
Energy: 1.143509570837175
Energy: 0.9670078951960283
Energy: 1.1435095708377687
Energy: 0.9670078951954345
Energy: 1.143509570837175
Energy: 0.8191771241264769
Energy: 1.1397431281783978
Energy: 0.8191771241264769
Energy: 1.1397431281766168
Energy: 0.8191771241264769
Energy: 1.1397431281754298
Energy: 0.9246051834509084
Energy: 0.8191842728442148
Energy: 0.9246051834509084
Energy: 0.8191842728442148
Energy: 0.9246051834509084
Energy: 0.8191842728448084
Energy: 0.862216385546666
Energy: 0.8809056318113557
Energy: 0.8622163855472595
Energy: 0.8809056318113557
Energy: 0.862216385546666
Energy: 0.8809056318119493
Energy: 0.8621753068762011
Energy: 0.8809348285210549
Energy: 0.8621753068762011
Energy: 0.8809348285210549
Energy: 0.8621753068756076
Energy: 0.8809348285210549
Energy: 0.9248171204728599
Energy: 0.8191756846194456
Energy: 0.9248171204728599
Energy: 0.8191756846194456
Energy: 0.9248171204734535
Energy: 0.8191756846194456
Energy: 0.8190431216395851
Energy: 1.1398064585140493
Energy: 0.8190431216395851
Energy: 1.1398064585146426
Energy: 0.8190431216395851
Energy: 1.1398064585134555
Energy: 0.9670258904641686
Energy: 1.1435289304605376
Energy: 0.9670258904659494
Energy: 1.1435289304599436
Energy: 0.9670258904653558
Energy: 1.1435289304593501
Energy: 0.885035417604096
Energy: 0.8650658785798114
Energy: 0.885035417604096
Energy: 0.8650658785798114
Energy: 0.885035417604096
Energy: 0.8650658785798114
Energy: 0.9670078951966219
Energy: 1.143509570837175
Energy: 0.967007895194841
Energy: 1.143509570837175
Energy: 0.9670078951966219
Energy: 1.143509570837175
Energy: 0.8191771241264769
Energy: 1.1397431281783978
Energy: 0.8191771241264769
Energy: 1.1397431281766168
Energy: 0.8191771241264769
Energy: 1.139743128176023
Energy: 0.9246051834509084
Energy: 0.8191842728448084
Energy: 0.9246051834509084
Energy: 0.8191842728442148
Energy: 0.9246051834515021
Energy: 0.8191842728442148
Energy: 0.862216385546666
Energy: 0.8809056318113557
Energy: 0.862216385546666
Energy: 0.8809056318113557
Energy: 0.8622163855472595
Energy: 0.8809056318119493
Energy: 0.8621753068756076
Energy: 0.8809348285210549
Energy: 0.8621753068756076
Energy: 0.8809348285210549
Energy: 0.8621753068756076
Energy: 0.8809348285210549
Energy: 0.9248171204728599
Energy: 0.8191756846194456
Energy: 0.9248171204728599
Energy: 0.8191756846194456
Energy: 0.9248171204734535
Energy: 0.8191756846194456
Energy: 0.8190431216395851
Energy: 1.1398064585140493
Energy: 0.8190431216395851
Energy: 1.1398064585152363
Energy: 0.8190431216395851
Energy: 1.1398064585140493
Energy: 0.9670258904647623
Energy: 1.1435289304599436
Energy: 0.9670258904647623
Energy: 1.1435289304599436
Energy: 0.9670258904659494
Energy: 1.1435289304593501
Energy: 0.885035417604096
Energy: 0.8650658785798114
Energy: 0.885035417604096
Energy: 0.8650658785798114
Energy: 0.885035417604096
Energy: 0.8650658785798114
Energy: 0.9670078951966219
Energy: 1.143509570837175
Energy: 0.9670078951966219
Energy: 1.1435095708377687
Energy: 0.9670078951960283
Energy: 1.1435095708377687
Energy: 0.8191771241264769
Energy: 1.139743128177804
Energy: 0.8191771241264769
Energy: 1.1397431281772104
Energy: 0.8191771241264769
Energy: 1.1397431281766168
Energy: 0.9246051834509084
Energy: 0.8191842728442148
Energy: 0.9246051834509084
Energy: 0.8191842728442148
Energy: 0.9246051834509084
Energy: 0.8191842728442148
Energy: 0.862216385546666
Energy: 0.8809056318113557
Energy: 0.8622163855472595
Energy: 0.8809056318113557
Energy: 0.862216385546666
Energy: 0.8809056318113557
Energy: 0.8621753068756076
Energy: 0.8809348285204611
Energy: 0.8621753068756076
Energy: 0.8809348285204611
Energy: 0.8621753068756076
Energy: 0.8809348285204611
Energy: 0.9248171204728599
Energy: 0.8191756846194456
Energy: 0.9248171204728599
Energy: 0.8191756846194456
Energy: 0.9248171204728599
Energy: 0.8191756846194456
Energy: 0.8190431216395851
Energy: 1.1398064585140493
Energy: 0.8190431216395851
Energy: 1.1398064585146426
Energy: 0.8190431216395851
Energy: 1.1398064585140493
Energy: 0.9670258904653558
Energy: 1.1435289304599436
Energy: 0.9670258904665431
Energy: 1.1435289304599436
Energy: 0.9670258904659494
Energy: 1.1435289304593501
Energy: 0.885035417604096
Energy: 0.8650658785798114
Energy: 0.885035417604096
Energy: 0.8650658785798114
Energy: 0.885035417604096
Energy: 0.8650658785804052
Energy: 0.9670078951972154
Energy: 1.143509570837175
Energy: 0.9670078951960283
Energy: 1.143509570837175
Energy: 0.9670078951960283
Energy: 1.1435095708377687
Energy: 0.8191771241264769
Energy: 1.1397431281783978
Energy: 0.8191771241264769
Energy: 1.1397431281772104
Energy: 0.8191771241264769
Energy: 1.1397431281766168

minimum gb energy = 0.8190431216395851 eV
minimum distance =  2.28791835010626 Angstroms
sigma value = 27


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

Energy: 0.8541826041007072
Energy: 0.8268803274706922
Energy: 0.8541826041007072
Energy: 0.8268803274706922
Energy: 0.8541826041007072
Energy: 0.8268803274721463
Energy: 0.9316246771114429
Energy: 0.8544560379629154
Energy: 0.9316246620626688
Energy: 0.8544560379614612
Energy: 0.9316246204031423
Energy: 0.8544560379629154
Energy: 0.8460766773336298
Energy: 0.96245157131013
Energy: 0.8460766789134777
Energy: 0.9624515713115842
Energy: 0.8460766790704515
Energy: 0.96245157131013
Energy: 1.019551758787867
Energy: 0.804047396187094
Energy: 1.019551758786413
Energy: 0.804047396187094
Energy: 1.019551758787867
Energy: 0.804047396187094
Energy: 1.0170001002658655
Energy: 0.804233576032775
Energy: 1.0170001002644116
Energy: 0.804233576032775
Energy: 1.0170001002644116
Energy: 0.804233576032775
Energy: 1.031156634049213
Energy: 1.0830893394842636
Energy: 1.031156634049213
Energy: 1.0830893394842636
Energy: 1.031156634049213
Energy: 1.0830893394711767
Energy: 0.965025854891128
Energy: 0.8583153179712759
Energy: 0.965025854891128
Energy: 0.8583153179712759
Energy: 0.9650258548896739
Energy: 0.8583153179712759
Energy: 0.8528471466090048
Energy: 0.8282761337672268
Energy: 0.8528471466075509
Energy: 0.8282761337672268
Energy: 0.8528471466090048
Energy: 0.8282761337672268
Energy: 1.0164170201631042
Energy: 0.84636829020012
Energy: 1.0164170201442013
Energy: 0.8463682901448653
Energy: 1.0164170201369311
Energy: 0.8463682901216332
Energy: 0.9380880056308344
Energy: 1.041000170561063
Energy: 0.9380880056308344
Energy: 1.041000170559609
Energy: 0.9380880056308344
Energy: 1.0410001705407388
Energy: 0.8278765290884263
Energy: 0.8066778087382239
Energy: 0.8278765290869723
Energy: 0.8066778087382239
Energy: 0.8278765290869723
Energy: 0.8066778087382239
Energy: 1.0695416815067336
Energy: 0.9931976963640902
Energy: 1.0695416815067336
Energy: 0.9931976963510035
Energy: 1.0695416815067336
Energy: 0.9931976962957819

minimum gb energy = 0.804047396187094 eV
minimum distance =  2.25904419080224 Angstroms
sigma value = 9


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

Energy: 0.9425829440037593
Energy: 0.7489285997150167
Energy: 0.9425829440029422
Energy: 0.7489285997150167
Energy: 0.9425829440033509
Energy: 0.7489285997141997
Energy: 0.8296243870194661
Energy: 0.7749919077995326
Energy: 0.8296243869965868
Energy: 0.7749919077999412
Energy: 0.8296243869994467
Energy: 0.7749919077999412
Energy: 0.7249828992094832
Energy: 0.8399935310986915
Energy: 0.7249828992082574
Energy: 0.839993531074995
Energy: 0.7249828992094832
Energy: 0.8399935310729523
Energy: 0.779626436073847
Energy: 0.7405995171660086
Energy: 0.7796264360742555
Energy: 0.7405995171676428
Energy: 0.7796264360742555
Energy: 0.7405995171672343
Energy: 0.7979144217717278
Energy: 0.7489835200680361
Energy: 0.7979144217713191
Energy: 0.7489835200684447
Energy: 0.7979144217721362
Energy: 0.7489835200684447
Energy: 0.8576554622677834
Energy: 0.8443004119986678
Energy: 0.8576554617887671
Energy: 0.8442608838476836
Energy: 0.8576554594610227
Energy: 0.6342561762477538
Energy: 0.8277881440546702
Energy: 0.8085903691069856
Energy: 0.827788143549506
Energy: 0.808590369109437
Energy: 0.8277881411302818
Energy: 0.8085903691086197
Energy: 0.7249862706760425
Energy: 0.8305079379798531
Energy: 0.7249862706760425
Energy: 0.830507937979036
Energy: 0.7249862706760425
Energy: 0.8305079379806702
Energy: 0.7979877449682425
Energy: 0.7491182292051513
Energy: 0.7979950601494276
Energy: 0.7491182292047427
Energy: 0.7979723554349495
Energy: 0.7491182292051513
Energy: 0.7565190563249111
Energy: 0.9198478928970917
Energy: 0.7565190563245024
Energy: 0.9198478928966832
Energy: 0.7565190563240939
Energy: 0.9198478929003603
Energy: 0.7768272779217322
Energy: 0.7508738702867106
Energy: 0.7768272779225495
Energy: 0.7508738702858935
Energy: 0.7768272779200981
Energy: 0.7508738702854849
Energy: 0.7648973729954922
Energy: 0.9013939627476778
Energy: 0.7648973729922238
Energy: 0.9013936588071637
Energy: 0.7648973729946752
Energy: 0.9013929313888608
Energy: 0.6318024156688659
Energy: 0.8227969153964277
Energy: 0.6292615592943102
Energy: 0.8227969149468275
Energy: 0.6291080970128112
Energy: 0.8227969137212631
Energy: 0.9345114405561844
Energy: 0.6770808325479488
Energy: 0.9345114404336912
Energy: 0.6790658062718171
Energy: 0.9345114400396178
Energy: 0.6791355365437882
Energy: 0.7523413458925499
Energy: 0.788148623158635
Energy: 0.7523413458921785
Energy: 0.7881486231598606
Energy: 0.7523413458929584
Energy: 0.7881486231602692
Energy: 0.8814779009982556
Energy: 0.8289375005373553
Energy: 0.8810938011066954
Energy: 0.828937496605907
Energy: 0.6650363624910952
Energy: 0.8289374872202007
Energy: 0.9846675772505132
Energy: 0.7409986186941474
Energy: 0.9846675772517389
Energy: 0.7409986186941474
Energy: 0.9846675772505132
Energy: 0.7409986186957815
Energy: 0.7684325096503621
Energy: 0.7564711792317488
Energy: 0.7684325096503621
Energy: 0.7564711792313402
Energy: 0.7684325096511793
Energy: 0.7564711792317488
Energy: 0.7197113782234559
Energy: 0.9760030105019148
Energy: 0.7197113782230473
Energy: 0.9760030104337227
Energy: 0.7197113782234559
Energy: 0.9760030100698454
Energy: 0.9194950531826002
Energy: 0.693081244799595
Energy: 0.9194950531821915
Energy: 0.6930812447991864
Energy: 0.9194950531826002
Energy: 0.6930812447987779
Energy: 0.7198151199234929
Energy: 0.9760091797398153
Energy: 0.7198151199247185
Energy: 0.9760091797099903
Energy: 0.71981511992145
Energy: 0.9760091796589577
Energy: 0.7684044382245927
Energy: 0.7564610604182261
Energy: 0.7684044382221414
Energy: 0.7564610604182261
Energy: 0.7684044382225499
Energy: 0.7564610604178177
Energy: 0.9845327919412056
Energy: 0.741256348115075
Energy: 0.9845327919412056
Energy: 0.7412563481174892
Energy: 0.9845327919424313
Energy: 0.7412563481174892
Energy: 0.8814680067113643
Energy: 0.91811805763705
Energy: 0.8814440997664782
Energy: 0.9181180574201797
Energy: 0.6653901176575437
Energy: 0.9181180568451891
Energy: 0.7529395732174011
Energy: 0.788501853404747
Energy: 0.7529395732178097
Energy: 0.7885018534043384
Energy: 0.7529395732174011
Energy: 0.788501853404747
Energy: 0.9342783970666804
Energy: 0.8211822439322817
Energy: 0.9342783964676219
Energy: 0.8211822439314647
Energy: 0.9342783949427326
Energy: 0.8211822439347332
Energy: 0.956536675794891
Energy: 0.8227304006060759
Energy: 0.9565351499990774
Energy: 0.8227304001351936
Energy: 0.9565311232213235
Energy: 0.822730398658514
Energy: 0.7649894675762318
Energy: 0.8386097398777023
Energy: 0.7649894675762318
Energy: 0.8386097374813573
Energy: 0.7649894675770489
Energy: 0.8386097307725273
Energy: 0.7767094985478035
Energy: 0.7517603997705005
Energy: 0.7767094985478035
Energy: 0.751760399770909
Energy: 0.7767094985478035
Energy: 0.7517603997705005
Energy: 0.7560799220067111
Energy: 1.1196125326568958
Energy: 0.7560799220063026
Energy: 1.119612527882962
Energy: 0.7560799220063026
Energy: 1.1196125135276975
Energy: 0.7984260884773696
Energy: 0.7489733528160242
Energy: 0.79842484992309
Energy: 0.7489733528164327
Energy: 0.7984209225284505
Energy: 0.7489733528160242
Energy: 0.7249093635071348
Energy: 0.8304095991782233
Energy: 0.7249093635067262
Energy: 0.8304095991790404
Energy: 0.7249093635067262
Energy: 0.8304095991778147
Energy: 0.827606646626406
Energy: 0.8068811804690059
Energy: 0.8276066444816218
Energy: 0.8068811804400353
Energy: 0.8276066386557241
Energy: 0.8068811803836543
Energy: 0.8577601146866625
Energy: 0.8339089649591709
Energy: 0.8577601136775598
Energy: 0.833904918791261
Energy: 0.8577601111595015
Energy: 0.4595424905710903
Energy: 0.7978390479944812
Energy: 0.7493546994445097
Energy: 0.7978390479952984
Energy: 0.7493546994441012
Energy: 0.797839047995707
Energy: 0.7493546994441012
Energy: 0.7794362037702602
Energy: 0.7417920527033355
Energy: 0.7794362037706688
Energy: 0.7417920527021099
Energy: 0.7794362037706688
Energy: 0.7417920527053783
Energy: 0.7248936509601761
Energy: 0.8398088910266047
Energy: 0.7248936509626274
Energy: 0.8398088910290562
Energy: 0.7248936509622189
Energy: 0.8398088910319161
Energy: 0.8286188841687729
Energy: 0.7374936552019253
Energy: 0.8286188841667301
Energy: 0.7374936552023339
Energy: 0.8286188841716329
Energy: 0.789659890128325
Energy: 0.942582944004168
Energy: 0.7489285997154252
Energy: 0.942582944004168
Energy: 0.7489285997154252
Energy: 0.9425829440037593
Energy: 0.7489285997150167
Energy: 0.8296243870076179
Energy: 0.7749919078003499
Energy: 0.8296243869974039
Energy: 0.7749919078007584
Energy: 0.8296243869990383
Energy: 0.7749919078007584
Energy: 0.7249828992103003
Energy: 0.8399935310954229
Energy: 0.7249828992078489
Energy: 0.8399935310770378
Energy: 0.724982899208666
Energy: 0.8399935310766293
Energy: 0.7796264360734384
Energy: 0.7405995171668257
Energy: 0.7796264360742555
Energy: 0.7405995171660086
Energy: 0.7796264360734384
Energy: 0.7405995171676428
Energy: 0.7979144217721362
Energy: 0.7489835200708961
Energy: 0.7979144217721362
Energy: 0.7489835200708961
Energy: 0.7979144217717278
Energy: 0.7489835200708961

minimum gb energy = 0.4595424905710903 eV
minimum distance =  2.3500700030254 Angstroms
sigma value = 57


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

Energy: 0.975225769367184
Energy: 0.73069958957471
Energy: 0.4086971001262639
Energy: 0.73069958957471
Energy: 0.9752257693690439
Energy: 0.7306995895756401
Energy: 0.8083375439541941
Energy: 0.6945157131853341
Energy: 0.8083375439532641
Energy: 0.6986598597907288
Energy: 0.8083375439532641
Energy: 0.694515713184404
Energy: 0.7682978320350101
Energy: 0.47977012287792525
Energy: 0.76829783203408
Energy: 0.4543395097000205
Energy: 0.76829783203594
Energy: 0.47976892738050064
Energy: 0.799585269784335
Energy: 0.5160970638859756
Energy: 0.799585269783405
Energy: 0.5160441317940672
Energy: 0.799585269783405
Energy: 0.5160970638850456
Energy: 0.36755994436619455
Energy: 0.08558649434285866
Energy: 0.3675599443680546
Energy: 0.08558649447023005
Energy: 0.3675599443671246
Energy: 0.08558649441535847
Energy: 0.6716236165664556
Energy: 0.6885442497316769
Energy: 0.36153639845971364
Energy: 0.6885442497298169
Energy: 0.6716236165655256
Energy: 0.6885442497288868
Energy: 0.6743156960330847
Energy: 0.3579033817000206
Energy: 0.36157708443399517
Energy: 0.35790338169816055
Energy: 0.6743156960340146
Energy: 0.35790338169909053
Energy: 0.4716459414419082
Energy: 0.37294975467173297
Energy: 0.4716459487449439
Energy: 0.37294975467173297
Energy: 0.47164595528480824
Energy: 0.37294975467173297
Energy: 0.7806194521225798
Energy: 0.5157783267650319
Energy: 0.7806194521244398
Energy: 0.51564686831374
Energy: 0.7806194521235098
Energy: 0.5157783267641018
Energy: 0.3576289381089223
Energy: 0.6930857365282533
Energy: 0.35762893810985236
Energy: 0.6930857363804214
Energy: 0.35762893811078234
Energy: 0.6930857364631515
Energy: 0.3769274740535021
Energy: 0.7054943061318079
Energy: 0.37692747405443205
Energy: 0.7054943061299479
Energy: 0.3769274740535021
Energy: 0.7054943061308778
Energy: 0.9752257693681139
Energy: 0.73069958957471
Energy: 0.4086971001262639
Energy: 0.73069958957378
Energy: 0.9752257693699738
Energy: 0.7306995895756401
Energy: 0.8083375439541941
Energy: 0.6945157131853341
Energy: 0.8083375439541941
Energy: 0.6986598597907288
Energy: 0.8083375439523339
Energy: 0.694515713186264
Energy: 0.7682978320350101
Energy: 0.4797691063098022
Energy: 0.7682978320350101
Energy: 0.45433950970741843
Energy: 0.7682978320368702
Energy: 0.47976878443004844
Energy: 0.799585269783405
Energy: 0.5160970638869057
Energy: 0.799585269783405
Energy: 0.5160441317922072
Energy: 0.799585269783405
Energy: 0.5160970638859756
Energy: 0.3675599443671246
Energy: 0.08558649362335606
Energy: 0.3675599443671246
Energy: 0.08558649416530807
Energy: 0.3675599443671246
Energy: 0.0855864943028675
Energy: 0.6716236165655256
Energy: 0.6885442497186566
Energy: 0.3615363984587836
Energy: 0.6885442497512075
Energy: 0.6716236165645956
Energy: 0.6885442497233067
Energy: 0.6743156960349447
Energy: 0.35790338169909053
Energy: 0.3615770844330652
Energy: 0.35790338169909053
Energy: 0.6743156960340146
Energy: 0.35790338169816055
Energy: 0.4716459442762918
Energy: 0.372949754673593
Energy: 0.47164595062279496
Energy: 0.37294975467173297
Energy: 0.4716459537276896
Energy: 0.372949754672663

minimum gb energy = 0.08558649362335606 eV
minimum distance =  2.43260613911736 Angstroms
sigma value = 11


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

Energy: 0.6094893211683218
Energy: 0.808026431761633
Energy: 0.6094893211669593
Energy: 0.8080264317623144
Energy: 0.6094893211655967
Energy: 0.8080264317623144
Energy: 0.796537133428429
Energy: 0.7596433214121942
Energy: 0.7965371334297914
Energy: 0.7596433214128754
Energy: 0.7965371334304728
Energy: 0.7596433214121942
Energy: 0.8377569275869073
Energy: 0.9065808133861356
Energy: 0.8377569275869073
Energy: 0.9065804790685097
Energy: 0.837756927586226
Energy: 0.9065792214750752
Energy: 0.830925315910684
Energy: 0.5111981985410045
Energy: 0.8309253159100027
Energy: 0.5111981985382794
Energy: 0.8309253159100027
Energy: 0.5111981985389606
Energy: 0.7807525399074149
Energy: 0.5542050678206603
Energy: 0.7807525399067337
Energy: 0.5542050678220226
Energy: 0.7807525399074149
Energy: 0.5542050678213415
Energy: 0.7119805059603249
Energy: 0.7686520584377778
Energy: 0.7119805059630498
Energy: 0.7686520584146148
Energy: 0.711980505961006
Energy: 0.7686520583363315
Energy: 0.5215280115795442
Energy: 0.9808742012838133
Energy: 0.521528011578863
Energy: 0.9808741976522474
Energy: 0.521528011578863
Energy: 0.9808741872362912
Energy: 0.4568544041511848
Energy: 0.22045587289978466
Energy: 0.34165028421852633
Energy: 0.22349137523906842
Energy: 0.4586118381537825
Energy: 0.22094954900480443
Energy: 0.8005298110698008
Energy: 0.22643350491016523
Energy: 0.800529811070482
Energy: 0.22415640810557627
Energy: 0.8005298110698008
Energy: 0.230923016576867
Energy: 0.5223871663903923
Energy: 1.0388449637941264
Energy: 0.5223871663897109
Energy: 1.038844963793445
Energy: 0.5223871663903923
Energy: 1.0388449637927637
Energy: 0.8475985930587981
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Energy: 0.4548232155766989
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Energy: 0.5278944596504019
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Energy: 0.7993105857931821
Energy: 0.666093637743886
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Energy: 0.666093637743886
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Energy: 0.666093637743886
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Energy: 1.0399515136261817
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Energy: 1.0399515136234567
Energy: 0.5278095138590759
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Energy: 1.2102868195206604
Energy: 0.8990645619157345
Energy: 1.2102868195199792
Energy: 0.8990645619157345
Energy: 1.2102868195199792
Energy: 0.8990645619184595

minimum gb energy = -0.2049287846129179 eV
minimum distance =  2.31898592639909 Angstroms
sigma value = 41


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

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Energy: 0.6200472847493905
Energy: 0.6891187639141099
Energy: 0.6200472847477796
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Energy: 0.4585206725034059
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Energy: -0.3636601853327707
Energy: 0.48422226251960426
Energy: 0.15690148774135032
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Energy: -0.31070708790849116
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Energy: -0.24757216533701465
Energy: 0.09475476741597719
Energy: -0.23626451897184642
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Energy: 0.8041941641203204
Energy: 0.6068609613895273
Energy: 0.8041941641208575
Energy: 0.6068609613895273
Energy: 0.8041941641203204
Energy: -0.2619200447039841
Energy: 0.9251743879895316
Energy: 0.15717476520583715
Energy: 0.9251743879889947
Energy: 0.15417130456525227
Energy: 0.9251743879884577
Energy: 1.0123625012760433
Energy: 0.48094311816543545
Energy: 1.0123625012755062
Energy: 0.4809225799924946
Energy: 1.0123625012760433
Energy: -0.2119481356726657
Energy: -0.18045640707959862
Energy: 0.7622383619941894
Energy: -0.07026144839482733
Energy: 0.7622383619941894
Energy: -0.20169026090989314
Energy: 0.7622383619941894
Energy: 0.6063050897269494
Energy: 0.6371914325573829
Energy: 0.6063050897274863
Energy: 0.6371914325579198
Energy: 0.6063050897264125
Energy: 0.6371914325579198
Energy: 0.4584997087681427
Energy: 0.3311942605528826
Energy: 0.4584902107271408
Energy: 0.3316000424132543
Energy: 0.45849147580927346
Energy: 0.3240140500846643

minimum gb energy = -0.3731240323316699 eV
minimum distance =  2.30685031607694 Angstroms
sigma value = 33


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

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Energy: 0.6178892614165005
Energy: 0.695884548436212
Energy: 0.6178892614169115
Energy: 0.6958845484312788
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Energy: 0.18474151642040282
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Energy: 0.6273810734879471
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Energy: 0.2977319855836041
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Energy: 0.14965810177924924
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Energy: 0.4267033539324587
Energy: 0.2707416110216382
Energy: 1.0690634066638172
Energy: 0.27969275194509746
Energy: 1.069063406663406
Energy: 0.2865713126809484
Energy: 1.0690634066641596
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Energy: -0.46395493709651797
Energy: 0.833369686582403
Energy: 0.25738759054666216
Energy: 0.833369686585075
Energy: -0.42521376579400444
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Energy: 0.25930075192720736
Energy: 0.7854342578363678
Energy: 0.2606582793942034
Energy: 0.7854342578359566
Energy: 0.27003489205034853
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Energy: 0.8930367847191826
Energy: 0.1844765885335953
Energy: 0.8930367847195938
Energy: 0.1782477876364999
Energy: 0.8930367847188401

minimum gb energy = -0.985581684841067 eV
minimum distance =  2.36898755364701 Angstroms
sigma value = 67


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

Energy: 0.7453229536595241
Energy: 0.6270678971745522
Energy: 0.745322953659295
Energy: 0.6270678971720339
Energy: 0.7453229536597816
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Energy: -0.036588399607583096
Energy: 0.6139928549187854
Energy: -0.022223226420865626
Energy: 0.935218148238071
Energy: 0.7499190323313712
Energy: 0.6344554743724747
Energy: 0.7499190323313712
Energy: 0.6344554743749646
Energy: 0.7499190323308561

minimum gb energy = -0.037987520802584065 eV
minimum distance =  2.37242477619618 Angstroms
sigma value = 3


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

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Energy: 0.5454889709489009
Energy: 0.8231130071289352
Energy: 0.5467361937975207
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Energy: -1.657356058583126
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Energy: -1.6050007029615467
Energy: -1.6018016603486365
Energy: -1.4737229474613285
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Energy: -1.4792465249057194
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Energy: -1.9899504939543886
Energy: -1.3554846441802162
Energy: -2.033579928677939
Energy: -1.7253753826319302
Energy: -1.8307027774211333

minimum gb energy = -2.033579928677939 eV
minimum distance =  2.28797851969717 Angstroms
sigma value = 81


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

Energy: 0.8822695337993596
Energy: 0.6226925134993545
Energy: 0.88226953379983
Energy: 0.6226924985377191
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Energy: -0.8213086291460516
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Energy: 0.33332266542093364
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Energy: -0.07834112851531892
Energy: -1.2337222059271595
Energy: -0.08802390084883205
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Energy: 0.5379931548328714
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Energy: -0.9586036461108178
Energy: 0.7125617149173312
Energy: -1.0294786097772273

minimum gb energy = -1.493460346246129 eV
minimum distance =  2.3193141246507 Angstroms
sigma value = 43


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

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Energy: 0.1542008540077785
Energy: 0.9511309749683491
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Energy: -0.4423634341769818
Energy: -0.5158160013202828
Energy: -0.31996777966510065
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Energy: 0.15111225179505666
Energy: -0.5067007439583556
Energy: 0.13775550856074678
Energy: -0.7906794834125549

minimum gb energy = -0.9522188977860382 eV
minimum distance =  2.33319039942334 Angstroms
sigma value = 57


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

Energy: 0.581701686107287
Energy: 0.726278290613841
Energy: 0.581701686107287
Energy: 0.726278290613841
Energy: 0.5817016861057909
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Energy: 0.7244369131196158
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Energy: 0.7244369131188677
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Energy: 0.7244369131196158
Energy: 0.2268597460440246
Energy: 0.4899976325925093
Energy: 0.2261324603092056
Energy: 0.48999763259325735
Energy: 0.2285226799671796
Energy: 0.48999763259400547
Energy: 0.5698132251348031
Energy: 0.19332065331821874
Energy: 0.5698132251303145
Energy: 0.3327494731479692
Energy: 0.569813225133307
Energy: 0.33243140492671774
Energy: 0.7407035236368879
Energy: 0.7422135099587063
Energy: 0.740703523657087
Energy: 0.7422135099572101
Energy: 0.7407035236391323
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Energy: -0.11635164518856132
Energy: 0.5684568058822475
Energy: -0.059746936255289936
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Energy: -0.060206599984033035
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Energy: -0.18643150904202396
Energy: 0.1657167408903747
Energy: -0.1863607002559026
Energy: 0.1590013266018603
Energy: -0.18583113537383514
Energy: 0.1595377789991281

minimum gb energy = -1.3570749385457588 eV
minimum distance =  2.38226465797391 Angstroms
sigma value = 17


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

Energy: 0.8433434927670131
Energy: 0.7496812401659706
Energy: 0.8433434927659552
Energy: 0.7496812401659706
Energy: 0.8433434927659552
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Energy: 0.7660953923138182
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Energy: 0.5516546525606816
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Energy: -0.9199308533903456
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Energy: 0.3747067421770826
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Energy: 0.3761782527838339
Energy: 0.6130196861285165
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Energy: 0.7836862684354311
Energy: 0.5361359635904739
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Energy: 0.754837629237226
Energy: 0.8511674249899562
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Energy: 0.8511674249910142
Energy: 0.5391868819662914
Energy: 0.7074948279911515
Energy: 0.3759133387629313
Energy: 0.7074948279922094
Energy: 0.3934941539946426
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Energy: 0.3961696217471107
Energy: 0.7846148838834822
Energy: 0.37574555426490314
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Energy: 0.7540626479524158
Energy: 0.7296349952175812
Energy: 0.7540626479513579
Energy: 0.7296349952070014
Energy: 0.7540626479513579
Energy: 0.7296349951699715

minimum gb energy = -0.9277493549699464 eV
minimum distance =  2.32070432008322 Angstroms
sigma value = 17


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

Energy: 0.7514273576116557
Energy: 0.6798213395481105
Energy: 0.7514273576132899
Energy: 0.679821339547702
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Energy: 0.662571074762403
Energy: 0.6630712015263809
Energy: 0.6625710747652629
Energy: 0.6630712015239295
Energy: 0.6625710747632201
Energy: 0.4606430708651901
Energy: 0.7263903815330123
Energy: 0.3750243468352752
Energy: 0.7263903815330123
Energy: 0.37366338881711336
Energy: 0.7263903815326036
Energy: 0.6081803198959557
Energy: 0.7375522414178282
Energy: 0.6081803198975899
Energy: 0.7375522414182367
Energy: 0.6081803198963642
Energy: 0.7375522414182367
Energy: 0.6522587005380716
Energy: 0.622330416543277
Energy: 0.6522587005392972
Energy: 0.6223304165436856
Energy: 0.6522587005372544
Energy: 0.6223304165445027

minimum gb energy = 0.36291114323030327 eV
minimum distance =  2.33952143252338 Angstroms
sigma value = 57


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

Energy: 0.6627287247562162
Energy: 0.6204378402245879
Energy: 0.6627287247562162
Energy: 0.6204378402259184
Energy: 0.6627287247575467
Energy: 0.6204378402245879
Energy: 0.6238106119326756
Energy: 0.6639704456174782
Energy: 0.6238106119333409
Energy: 0.6639704456174782
Energy: 0.6238106119333409
Energy: 0.6639704456174782
Energy: 0.6658307719074209
Energy: 0.6611863113045298
Energy: 0.6658307719074209
Energy: 0.6611863113045298
Energy: 0.6658307719074209
Energy: 0.6611863113045298
Energy: 0.5739284078088835
Energy: 0.7065846232033302
Energy: 0.5739284078095487
Energy: 0.7065846232033302
Energy: 0.5739284078095487
Energy: 0.7065846232026649
Energy: 0.6248513559702416
Energy: 0.59029653736587
Energy: 0.6248513559742329
Energy: 0.5902965373652045
Energy: 0.6248513559722372
Energy: 0.5902965373652045
Energy: 0.6499274074769692
Energy: 0.6141860655801269
Energy: 0.6499274074769692
Energy: 0.6141860655801269
Energy: 0.6499274074776343
Energy: 0.6141860655807921
Energy: 0.5848263843183192
Energy: 0.6872021545066561
Energy: 0.5848263843163236
Energy: 0.6872021545059909
Energy: 0.5848263843163236
Energy: 0.6872021545053257
Energy: 0.5246391878496437
Energy: 0.7230385483170418
Energy: 0.5273826747747061
Energy: 0.7230385483170418
Energy: 0.5249729522705997
Energy: 0.7230385483163766
Energy: 0.655384020631657
Energy: 0.6156616066825646
Energy: 0.6553840206323223
Energy: 0.6156616066825646
Energy: 0.6553840206323223
Energy: 0.6156616066832299
Energy: 0.6316644617188871
Energy: 0.6621793127259998
Energy: 0.6316644617195524
Energy: 0.662179312726665
Energy: 0.6316644617188871
Energy: 0.6621793127253346
Energy: 0.5819395917802913
Energy: 0.5532431019931785
Energy: 0.581939591782287
Energy: 0.5531659409759259
Energy: 0.581939591782287
Energy: 0.5550942366868611
Energy: 0.6741808566086798
Energy: 0.5891655704837934
Energy: 0.6741808566086798
Energy: 0.5891655704817976
Energy: 0.6741808566080146
Energy: 0.5891655704824629
Energy: 0.6257868879543058
Energy: 0.6650924973658126
Energy: 0.625786887954971
Energy: 0.6650924973644822
Energy: 0.6257868879556362
Energy: 0.6650924973651474
Energy: 0.5969272784565771
Energy: 0.6558609651500619
Energy: 0.5969272784572424
Energy: 0.6558609651507272
Energy: 0.596927278458573
Energy: 0.6558609651480662
Energy: 0.7182472331805361
Energy: 0.5486202379356325
Energy: 0.7182472331805361
Energy: 0.5486202379343021
Energy: 0.7182472331812013
Energy: 0.5486202379349673
Energy: 0.6246566128854412
Energy: 0.6096930166395458
Energy: 0.6246566128854412
Energy: 0.6096930166368848
Energy: 0.6246566128854412
Energy: 0.6096930166395458
Energy: 0.6571050406181266
Energy: 0.6267702976676958
Energy: 0.6571050406201224
Energy: 0.6267702976696915
Energy: 0.6571050406201224
Energy: 0.6267702976690263
Energy: 0.6135376859666329
Energy: 0.5558469578423749
Energy: 0.6135376859646372
Energy: 0.5558469578450358
Energy: 0.6135376859653024
Energy: 0.5558469578403792
Energy: 0.6046924612983502
Energy: 0.6568069775369959
Energy: 0.6046924612983502
Energy: 0.6568069775336697
Energy: 0.6046924612990154
Energy: 0.6568069775369959
Energy: 0.6092251521627893
Energy: 0.701834269178097
Energy: 0.6092251521621239
Energy: 0.701834269178097
Energy: 0.6092251521627893
Energy: 0.701834269178097
Energy: 0.62798120497286
Energy: 0.6445604188373686
Energy: 0.6279812049808429
Energy: 0.6445604188340426
Energy: 0.6279812049721949
Energy: 0.6445604188367035
Energy: 0.5936200856036681
Energy: 0.6606407875961519
Energy: 0.5936200856030027
Energy: 0.6606407875941563
Energy: 0.5936200856036681
Energy: 0.6606407875948215
Energy: 0.6480217101965844
Energy: 0.6777684237351341
Energy: 0.6480217101965844
Energy: 0.6777684237351341
Energy: 0.6480217101959193
Energy: 0.6777684237351341
Energy: 0.67788415379527
Energy: 0.6728850734785451
Energy: 0.6778841537939394
Energy: 0.6728850734758841
Energy: 0.6778841537946048
Energy: 0.6728850734765495
Energy: 0.6815017491784628
Energy: 0.641928781028864
Energy: 0.6815017491791281
Energy: 0.6419287810262031
Energy: 0.6815017491764671
Energy: 0.6419287810301946
Energy: 0.6239771405664624
Energy: 0.6765876405187023
Energy: 0.6239771405657972
Energy: 0.6765876405187023
Energy: 0.6239771405664624
Energy: 0.6765876405187023
Energy: 0.5901253334983653
Energy: 0.6560354080563576
Energy: 0.5901253334983653
Energy: 0.6560354080550272
Energy: 0.5901253334983653
Energy: 0.6560354080556924

minimum gb energy = 0.5246391878496437 eV
minimum distance =  2.34778114201693 Angstroms
sigma value = 43


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

Energy: 0.5924831749206712
Energy: 0.5409575552194797
Energy: 0.5924831749201864
Energy: 0.5409575552194797
Energy: 0.5924831749187324
Energy: 0.5409575552199644
Energy: 0.6063212015405188
Energy: 0.6036161018993884
Energy: 0.6063212015424576
Energy: 0.6036161018989037
Energy: 0.606321201543427
Energy: 0.6036161018989037
Energy: 0.5576039574333232
Energy: 0.6018099998382095
Energy: 0.5576039543418804
Energy: 0.6018099998382095
Energy: 0.557603947238524
Energy: 0.6018099998382095
Energy: 0.5643229734515335
Energy: 0.5895568862173761
Energy: 0.5643229734525028
Energy: 0.5895568862168915
Energy: 0.5643229734515335
Energy: 0.5895568862173761
Energy: 0.6090796718023407
Energy: 0.5577121929205674
Energy: 0.6090796718008865
Energy: 0.5577121929205674
Energy: 0.609079671801856
Energy: 0.5577121929205674
Energy: 0.5389704584985152
Energy: 0.5375809187757098
Energy: 0.5389704584994846
Energy: 0.5375809187757098
Energy: 0.5389704584989999
Energy: 0.5375809187757098
Energy: 0.5107258233788422
Energy: 0.5792639682464222
Energy: 0.5107258233759342
Energy: 0.579263968246907
Energy: 0.51072582335897
Energy: 0.5792639682464222
Energy: 0.6656002280913655
Energy: 0.48339816469007646
Energy: 0.6656002280913655
Energy: 0.4833981646910458
Energy: 0.6656002280908809
Energy: 0.4833981646905612
Energy: 0.5228689367006886
Energy: 0.5272527496193489
Energy: 0.5228689367021426
Energy: 0.5272527496203183
Energy: 0.5228689367011733
Energy: 0.5272527496203183
Energy: 0.6140156576024576
Energy: 0.5538905403042027
Energy: 0.6140156576014881
Energy: 0.5538905403042027
Energy: 0.6140156576024576
Energy: 0.5538905403042027
Energy: 0.6770707358480943
Energy: 0.5937950740384031
Energy: 0.6770707358490635
Energy: 0.5937950740393726
Energy: 0.6770707358480943
Energy: 0.5937950740354951
Energy: 0.5279156656297332
Energy: 0.5280547718602271
Energy: 0.5279156656297332
Energy: 0.5280547718607118
Energy: 0.527915665630218
Energy: 0.5280547718616813
Energy: 0.5415771396925322
Energy: 0.5267990591202807
Energy: 0.5415771396935016
Energy: 0.5267990591202807
Energy: 0.5415771396925322
Energy: 0.5267990591202807
Energy: 0.6676650334465931
Energy: 0.5133543807944653
Energy: 0.6676650334465931
Energy: 0.5133314596416773
Energy: 0.6676650334470778
Energy: 0.46331266256083364
Energy: 0.5450770261085907
Energy: 0.5291168411352527
Energy: 0.5450770261081059
Energy: 0.5291168411371915
Energy: 0.5450770261081059
Energy: 0.5291168411352527
Energy: 0.5637148994027811
Energy: 0.5381650460259216
Energy: 0.5637148994037505
Energy: 0.5381650460264062
Energy: 0.5637148994042351
Energy: 0.5381650460259216
Energy: 0.5107236302051406
Energy: 0.5842332378726279
Energy: 0.5107236302036864
Energy: 0.584233230148163
Energy: 0.5107236302051406
Energy: 0.5842332145514465
Energy: 0.5600550113877666
Energy: 0.5071622033636132
Energy: 0.5600550113877666
Energy: 0.5071622033640979
Energy: 0.5600550113877666
Energy: 0.5071622033626438
Energy: 0.5385760718468907
Energy: 0.5616316482005935
Energy: 0.5385760718473754
Energy: 0.561631648201563
Energy: 0.5385760718468907
Energy: 0.5616316482010782
Energy: 0.5966233686161215
Energy: 0.5234804542921523
Energy: 0.5966233686170909
Energy: 0.5234804542969992
Energy: 0.5966233686161215
Energy: 0.5234804542965145
Energy: 0.6021472451106539
Energy: 0.561070287547952
Energy: 0.6021472451116233
Energy: 0.5610702875450438
Energy: 0.6021472451106539
Energy: 0.5610702875455286
Energy: 0.6098820731094882
Energy: 0.6038902050904916
Energy: 0.6098820731099729
Energy: 0.6038902050895224
Energy: 0.6098820731090034
Energy: 0.6038902050890377
Energy: 0.5770358674293775
Energy: 0.6000454912003298
Energy: 0.577035867430347
Energy: 0.6000454912003298
Energy: 0.5770358674308316
Energy: 0.6000454911993605
Energy: 0.5565324271595765
Energy: 0.5466979124491935
Energy: 0.5565324271610306
Energy: 0.5466979124588873
Energy: 0.5565324271624846
Energy: 0.5466979124472547
Energy: 0.5617013898001714
Energy: 0.513380808100802
Energy: 0.5617013898001714
Energy: 0.5133808081012866
Energy: 0.5617013898001714
Energy: 0.5133808081022561
Energy: 0.564356953153456
Energy: 0.5813461353771451
Energy: 0.564356953153456
Energy: 0.5813461353766604
Energy: 0.5643569531539406
Energy: 0.5813461353776298
Energy: 0.5679321725615442
Energy: 0.523270068402641
Energy: 0.5679321725634829
Energy: 0.5232700684016716
Energy: 0.5679321725625135
Energy: 0.5232700684011868
Energy: 0.5288632920012482
Energy: 0.5828214097372438
Energy: 0.5288632920012482
Energy: 0.5828214097367592
Energy: 0.5288632920017328
Energy: 0.5828214097372438
Energy: 0.5225317453773571
Energy: 0.5514799970071291
Energy: 0.5225317453773571
Energy: 0.5514799970071291
Energy: 0.5225317453763878
Energy: 0.5514799970076139
Energy: 0.541993302530623
Energy: 0.4830997238530172
Energy: 0.541993302532077
Energy: 0.4830996651574202
Energy: 0.5419933025311076
Energy: 0.4830995106544167
Energy: 0.4844414041138481
Energy: 0.5496358629300987
Energy: 0.48444140410706255
Energy: 0.5496358629204049
Energy: 0.4844414041128788
Energy: 0.5496358629208895
Energy: 0.5228442092186011
Energy: 0.5345502619667553
Energy: 0.5228442092181165
Energy: 0.5345502619662705
Energy: 0.5228442092190858
Energy: 0.5345502619662705
Energy: 0.5252493780132684
Energy: 0.514894914213298
Energy: 0.5252493780132684
Energy: 0.5148949142128133
Energy: 0.5252493780132684
Energy: 0.5148949142142675
Energy: 0.5115512288920443
Energy: 0.4662206689121023
Energy: 0.5115524007006903
Energy: 0.4662437530810822
Energy: 0.5115486423459109
Energy: 0.4642973801944971
Energy: 0.5446461950674943
Energy: 0.5181488599475282
Energy: 0.5446461950670096
Energy: 0.5181488599484977
Energy: 0.5446461950679791
Energy: 0.5181488599484977
Energy: 0.4739043265204206
Energy: 0.5143218592515159
Energy: 0.4739043265209053
Energy: 0.5143218592505464
Energy: 0.4739043265204206
Energy: 0.5143218592500618

minimum gb energy = 0.46331266256083364 eV
minimum distance =  2.33696578583869 Angstroms
sigma value = 81


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

Energy: -0.02414424232152758
Energy: 0.0023947406048599896
Energy: -0.02414424231974671
Energy: 0.0023947406048599896
Energy: -0.02414424232152758
Energy: 0.0023947406048599896
Energy: 0.7242861587010687
Energy: 0.0020482353430214296
Energy: 0.7242861586992878
Energy: 0.002048235335938441
Energy: 0.7242861586992878
Energy: 0.0020482353377193068
Energy: 0.724293062362968
Energy: 0.0017887441139488602
Energy: 0.7242930623647489
Energy: 0.001788744108606263
Energy: 0.724293062362968
Energy: 0.001788744108606263
Energy: -0.02414424232152758
Energy: 0.0023947406048599896
Energy: -0.02414424232152758
Energy: 0.0023947406048599896
Energy: -0.02414424232152758
Energy: 0.0023947406048599896
Energy: 0.7242861586992878
Energy: 0.0020482353145680515
Energy: 0.7242861586992878
Energy: 0.0020482353323767093
Energy: 0.7242861586992878
Energy: 0.0020482353199106486
Energy: 0.724293062362968
Energy: 0.0017887440943998103
Energy: 0.724293062362968
Energy: 0.0017887440979615424
Energy: 0.7242930623647489
Energy: 0.0017887440961806766
Energy: -0.02414424231974671
Energy: 0.0023947406048599896
Energy: -0.02414424231974671
Energy: 0.0023947406048599896
Energy: -0.02414424231974671
Energy: 0.0023947406048599896
Energy: 0.7242861586992878
Energy: 0.002048235328814978
Energy: 0.7242861586992878
Energy: 0.0020482353412405643
Energy: 0.7242861586992878
Energy: 0.002048235307444588
Energy: 0.7242930623647489
Energy: 0.0017887440837146154
Energy: 0.7242930623647489
Energy: 0.001788744078372018
Energy: 0.724293062362968
Energy: 0.0017887440819337496
Energy: -0.02414424231974671
Energy: 0.0023947406048599896
Energy: -0.02414424231974671
Energy: 0.0023947406048599896
Energy: -0.02414424231974671
Energy: 0.0023947406048599896

minimum gb energy = -0.02414424232152758 eV
minimum distance =  2.5241882575762 Angstroms
sigma value = 3


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

Energy: 0.3947401302488957
Energy: 0.3901071580831343
Energy: 0.3947401302488957
Energy: 0.3901071580831343
Energy: 0.3947401302483628
Energy: 0.3901071580831343
Energy: 0.2559484418686833
Energy: 0.3158563510271543
Energy: 0.2559484418686833
Energy: 0.3158563510271543
Energy: 0.2559484418734797
Energy: 0.3158563510271543
Energy: 0.3667410432302591
Energy: 0.3145904186677499
Energy: 0.3667410432254627
Energy: 0.3145904186682828
Energy: 0.3667410432164029
Energy: 0.3145904186682828
Energy: 0.38225313759994695
Energy: 0.332665848948915
Energy: 0.38225313759994695
Energy: 0.3326658484135635
Energy: 0.38225313759994695
Energy: 0.3326658468953939
Energy: 0.3199798049996591
Energy: 0.3211099413027287
Energy: 0.3199798049996591
Energy: 0.3211099413027287
Energy: 0.3199798049996591
Energy: 0.3211099413027287
Energy: 0.36304182065212265
Energy: 0.3251565252234815
Energy: 0.363041820648925
Energy: 0.3251565252234815
Energy: 0.3630418206473262
Energy: 0.3251565252234815
Energy: 0.33838397485544175
Energy: 0.4620739202135073
Energy: 0.33838397485597466
Energy: 0.4620739202124415
Energy: 0.33838397485597466
Energy: 0.4620739202135073
Energy: 0.354287740511435
Energy: 0.3146467456433191
Energy: 0.354287740511435
Energy: 0.3146467456433191
Energy: 0.354287740511968
Energy: 0.3146467456433191
Energy: 0.37335539582160915
Energy: 0.33622491858878006
Energy: 0.37335539582054333
Energy: 0.33622491858931297
Energy: 0.37335539582001037
Energy: 0.33622491858878006
Energy: 0.33859909194406734
Energy: 0.31292498480585024
Energy: 0.3385990919435344
Energy: 0.3129242674134403
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Energy: 0.3129222532179456
Energy: 0.38464257729222406
Energy: 0.3118148893457705
Energy: 0.38464257729115825
Energy: 0.31181488934630347
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Energy: 0.394026435910521
Energy: 0.3823354942137444
Energy: 0.3940264359115869
Energy: 0.3823351938055438
Energy: 0.3940264359083893
Energy: 0.38233453786290955
Energy: 0.3115347957082356
Energy: 0.281285363485526
Energy: 0.3115347957082356
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Energy: 0.3115347957087686
Energy: 0.2812853634860589
Energy: 0.4495172919263919
Energy: 0.2975368244858119
Energy: 0.44951729192585893
Energy: 0.2975368244868778
Energy: 0.44951729192532597
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Energy: 0.3391218294773247
Energy: 0.36512297146270817
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Energy: 0.3651229714573789
Energy: 0.3391218294773247
Energy: 0.3651229714611094
Energy: 0.3113280769889775
Energy: 0.3255530334442626
Energy: 0.3113280769889775
Energy: 0.32555303344372966
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Energy: 0.44709421968514274
Energy: 0.2932331347547407
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Energy: 0.2932331347185015
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Energy: 0.32367183846109915
Energy: 0.3286236575996812
Energy: 0.3236718384616321
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Energy: 0.32367183846109915
Energy: 0.3286236542298737
Energy: 0.31148807625223723
Energy: 0.26003294294697316
Energy: 0.31148807625277014
Energy: 0.2600329429459073
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Energy: 0.26003294294697316
Energy: 0.34466082496351896
Energy: 0.3739807784035301
Energy: 0.3446608249544592
Energy: 0.3739807784088594
Energy: 0.34466082492408223
Energy: 0.373980778404063
Energy: 0.31112343633443945
Energy: 0.19172479446001808
Energy: 0.3111234363355053
Energy: 0.19172479446055102
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Energy: 0.19172479446055102
Energy: 0.3129835929353848
Energy: 0.32618321370776737
Energy: 0.3129835929353848
Energy: 0.32618321370776737
Energy: 0.3129835929353848
Energy: 0.32618321370776737
Energy: 0.36057963968160517
Energy: 0.31240729102836773
Energy: 0.3605502943364659
Energy: 0.31240729102730186
Energy: -0.8038299646484267
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Energy: 0.29793157540292614
Energy: 0.19400328395988817
Energy: 0.29792162668161337
Energy: 0.19400328396042107
Energy: 0.29789325105036046
Energy: 0.19400328396042107
Energy: 0.31176553719514377
Energy: 0.3492612531123814
Energy: 0.31176553719514377
Energy: 0.34926125310598627
Energy: 0.31176553719567673
Energy: 0.34926125309590905
Energy: 0.3711756084742225
Energy: 0.310290680445235
Energy: 0.3711756084742225
Energy: 0.31029068044470204
Energy: 0.37117560847315667
Energy: 0.31029068044470204
Energy: 0.3582103426075777
Energy: 0.33924098571836436
Energy: 0.35821028813868855
Energy: 0.33924098571943023
Energy: 0.3582101476938036
Energy: 0.3392409857204961
Energy: 0.33857962722726187
Energy: 0.38095183124806703
Energy: 0.33857962722779483
Energy: 0.38095183124700116
Energy: 0.33857962722779483
Energy: 0.38095183124753407
Energy: 0.41181830187247986
Energy: 0.3105494442071405
Energy: 0.41181830187247986
Energy: 0.31054944420660757
Energy: 0.4118183018730129
Energy: 0.3105494442071405
Energy: 0.35787078695972735
Energy: 0.34150432718224766
Energy: 0.3578707869581286
Energy: 0.34194736635290174
Energy: 0.35787078694906876
Energy: 0.34221328128758255
Energy: 0.39646947220476597
Energy: 0.3839873097884673
Energy: 0.3964694451770252
Energy: 0.3839873097890003
Energy: 0.39646937458940523
Energy: 0.3839873097890003
Energy: 0.3751821861480145
Energy: 0.3260409062760595
Energy: 0.3751821861480145
Energy: 0.3260409062760595
Energy: 0.3751821861485474
Energy: 0.3260409062760595
Energy: 0.2988944639527495
Energy: 0.3766524083198186
Energy: 0.2988944639516836
Energy: 0.3766524083182199
Energy: 0.2988944639511507
Energy: 0.3766524083134235

minimum gb energy = -0.8038299646484267 eV
minimum distance =  2.36545136445342 Angstroms
sigma value = 67


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

Energy: 0.3792807841849746
Energy: 0.4608980290615084
Energy: 0.37928078418193717
Energy: 0.46089802906226773
Energy: 0.37928078417965905
Energy: 0.46089802906302707
Energy: 0.4599690208620965
Energy: 0.4550276547131697
Energy: 0.4599690208605777
Energy: 0.4550276547131697
Energy: 0.4599690208613372
Energy: 0.4550276547131697
Energy: 0.5133155924216665
Energy: 0.45550280199008925
Energy: 0.5133155924231851
Energy: 0.45550280199008925
Energy: 0.5133155924247039
Energy: 0.45550280199008925
Energy: 0.4034654595842595
Energy: 0.5408508753601233
Energy: 0.4034654595827407
Energy: 0.5408508753570859
Energy: 0.4034654595827407
Energy: 0.5408508753578453
Energy: 0.4909095606042696
Energy: 0.4665774261944647
Energy: 0.4909095606042696
Energy: 0.4665774261944647
Energy: 0.4909095606042696
Energy: 0.4665774261944647
Energy: 0.5207826967845826
Energy: 0.4669922915690916
Energy: 0.5207826967845826
Energy: 0.46699229156985095
Energy: 0.5207826967838233
Energy: 0.46699229156985095
Energy: 0.3529887043063704
Energy: 0.5311739170451742
Energy: 0.35298870430561097
Energy: 0.5311739170444149
Energy: 0.3529887043040923
Energy: 0.5311739170451742
Energy: 0.583672665987324
Energy: 0.4317653209881518
Energy: 0.5836726659865646
Energy: 0.4317653209858737
Energy: 0.583672665987324
Energy: 0.4317653209858737
Energy: 0.5367474368905651
Energy: 0.5360512179872432
Energy: 0.5367474368913244
Energy: 0.5360512179864839
Energy: 0.5367474368890464
Energy: 0.5360512179857245
Energy: 0.46979701215839853
Energy: 0.4961298559349463
Energy: 0.46979701215839853
Energy: 0.49612985593570563
Energy: 0.46979701215915787
Energy: 0.4961298559349463
Energy: 0.5185247656786264
Energy: 0.4664151157819274
Energy: 0.5185247656786264
Energy: 0.46641511578268674
Energy: 0.5185247656778671
Energy: 0.4664151157819274
Energy: 0.4679616876672164
Energy: 0.49403445177961963
Energy: 0.46796168766797575
Energy: 0.494034451780379
Energy: 0.46796168766797575
Energy: 0.49403445177961963
Energy: 0.46880588495796527
Energy: 0.4730614111810539
Energy: 0.46880588495796527
Energy: 0.4730614111810539
Energy: 0.46880588495796527
Energy: 0.4730614111810539
Energy: 0.5048459386335883
Energy: 0.4149434752275193
Energy: 0.5048459386335883
Energy: 0.4149434752282787
Energy: 0.504845938632829
Energy: 0.4149434752290381
Energy: 0.41732825339755447
Energy: 0.46019724098726134
Energy: 0.4173282533983138
Energy: 0.46019724098802073
Energy: 0.41732825339755447
Energy: 0.46019724098802073
Energy: 0.41326715050191437
Energy: 0.4831914850285007
Energy: 0.41326715050191437
Energy: 0.48319148502774134
Energy: 0.41326715050191437
Energy: 0.4831914850285007
Energy: 0.5323597684768048
Energy: 0.41427838768098596
Energy: 0.5323597684714891
Energy: 0.4142783876802267
Energy: 0.5323597684609271
Energy: 0.41427838768098596
Energy: 0.39229104971588025
Energy: 0.46827530935977035
Energy: 0.3922910497143615
Energy: 0.46827530935901096
Energy: 0.39229104971588025
Energy: 0.46827530936052963
Energy: 0.3523781912184931
Energy: 0.5102276862654046
Energy: 0.3523781912177337
Energy: 0.5102276862654046
Energy: 0.3523781912184931
Energy: 0.5102276862654046
Energy: 0.7794387423057885
Energy: 0.4514113250337193
Energy: 0.7794387423057885
Energy: 0.4514113250337193
Energy: 0.7794387423050291
Energy: 0.4514113250344786
Energy: 0.4672139910448183
Energy: 0.4828494125773314
Energy: 0.46721388065272923
Energy: 0.48284941257581265
Energy: 0.46721368075478165
Energy: 0.482849412576572
Energy: 0.4407675548975324
Energy: 0.5321325109081348
Energy: 0.44076755489905106
Energy: 0.5321325109020599
Energy: 0.4407675548975324
Energy: 0.5321325109073755
Energy: 0.5017167127811824
Energy: 0.45564604827012106
Energy: 0.5017167127833914
Energy: 0.45564604827088045
Energy: 0.5017167127811824
Energy: 0.45564604827088045

minimum gb energy = 0.3523781912177337 eV
minimum distance =  2.37016030820435 Angstroms
sigma value = 33


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

Energy: 0.4956978869413486
Energy: 0.6067652161603792
Energy: 0.4956978869413486
Energy: 0.6067652161603792
Energy: 0.4956978869413486
Energy: 0.6067652161603792
Energy: 0.5431640262900589
Energy: 0.506054313517562
Energy: 0.5431640262924674
Energy: 0.5060543135180439
Energy: 0.5431640262905406
Energy: 0.5060543135185255
Energy: 0.5443263146828992
Energy: 0.5032317404967797
Energy: 0.5443263146833809
Energy: 0.5032317404977432
Energy: 0.5443263146838627
Energy: 0.5032317404967797
Energy: 0.49936982005715724
Energy: 0.6456096489866471
Energy: 0.4993698200586024
Energy: 0.6456096489871289
Energy: 0.49936982005715724
Energy: 0.6456096489861655
Energy: 0.6115043936450328
Energy: 0.5067925691182441
Energy: 0.6115043936450328
Energy: 0.5067925691182441
Energy: 0.6115043936445511
Energy: 0.5067925691182441
Energy: 0.5810796578111618
Energy: 0.6829577786243898
Energy: 0.5810790829495148
Energy: 0.5915331829775142
Energy: 0.5810774721602049
Energy: 0.6829577786243898
Energy: 0.4931365724003169
Energy: 0.6406065663922431
Energy: 0.4931365724007986
Energy: 0.6406065663936884
Energy: 0.4931365724003169
Energy: 0.6406065663946519
Energy: 0.6415906206243484
Energy: 0.5917376809562396
Energy: 0.6415906206238666
Energy: 0.5917376809557577
Energy: 0.6415906206243484
Energy: 0.5917376809557577
Energy: 0.5799054533193334
Energy: 0.5979236327435756
Energy: 0.5799054533193334
Energy: 0.5979236327430939
Energy: 0.5799054533198151
Energy: 0.5979236327406852
Energy: 0.13802413714090292
Energy: 0.5978177845176823
Energy: 0.13802413714427503
Energy: 0.5978177845176823
Energy: 0.1380241371423481
Energy: 0.5978177845172006
Energy: 0.6202801837580978
Energy: 0.5067822032866838
Energy: 0.620280183757616
Energy: 0.5067822032886107
Energy: 0.6202801837566526
Energy: 0.5067822032876472
Energy: 0.5484261749859559
Energy: 0.5843146052822203
Energy: 0.5484261749859559
Energy: 0.5843146052817386
Energy: 0.5484261749859559
Energy: 0.5843146052822203
Energy: 0.15330892086333617
Energy: 0.5437100224214039
Energy: 0.15330892086140926
Energy: 0.5437100224214039
Energy: 0.15330892086237274
Energy: 0.543710022420922
Energy: 0.5810311721966288
Energy: 0.5059554153758767
Energy: 0.5810311721961471
Energy: 0.50595541537395
Energy: 0.5810311721975923
Energy: 0.5059554153753951
Energy: 0.5283581143011269
Energy: 0.5697179468854787
Energy: 0.5283581143001634
Energy: 0.5697179468854787
Energy: 0.5283581143020903
Energy: 0.5697179468854787
Energy: 0.49746368392777374
Energy: 0.5779795023985905
Energy: 0.4974636839282554
Energy: 0.5779795023976272
Energy: 0.49746368392873713
Energy: 0.5779795023942551
Energy: 0.6137286508370039
Energy: 0.5041440262840429
Energy: 0.6137286508379675
Energy: 0.5041440262840429
Energy: 0.6137286508360404
Energy: 0.5041440262845246
Energy: 0.5585212254639432
Energy: 0.600035975054664
Energy: 0.5585212254620164
Energy: 0.6000359445894055
Energy: 0.5585212254557539
Energy: 0.6000358732803688
Energy: 0.5340596942417769
Energy: 0.6019477196489678
Energy: 0.5340596942412952
Energy: 0.6019477196032474
Energy: 0.5340596942412952
Energy: 0.6019477194712984
Energy: 0.6425881116622039
Energy: 0.506257158975335
Energy: 0.6425881116622039
Energy: 0.5062571589743714
Energy: 0.6425881116607587
Energy: 0.5062571589734081
Energy: 0.4931559834717434
Energy: 0.5812086886426054
Energy: 0.4931559834712617
Energy: 0.5812086886397151
Energy: 0.49315598347077994
Energy: 0.5812086886392334
Energy: 0.5282572540166826
Energy: 0.5984038701480577
Energy: 0.5282572540162008
Energy: 0.5984038701490212
Energy: 0.5282572540176461
Energy: 0.5984038701485395
Energy: 0.651199659139837
Energy: 0.5069601928793082
Energy: 0.6511996581291325
Energy: 0.5069601928821985
Energy: 0.6511996550017249
Energy: 0.5069601928802716
Energy: 0.1376909273376538
Energy: 0.5817078456725049
Energy: 0.13769092733861726
Energy: 0.5817078456725049
Energy: 0.13769092733861726
Energy: 0.5817078456725049
Energy: 0.5505932418004845
Energy: 0.5630719568407583
Energy: 0.550593241801448
Energy: 0.5630719568422035
Energy: 0.550593241801448
Energy: 0.5630719568422035
Energy: 0.7103752829810388
Energy: 0.5599084300142144
Energy: 0.7103752829810388
Energy: 0.559908430014696
Energy: 0.7103752829829657
Energy: 0.5599084300137327
Energy: 0.4918018284106145
Energy: 0.5980511261642838
Energy: 0.4918018284120596
Energy: 0.5980511261647655
Energy: 0.4918018284110961
Energy: 0.5980511261642838
Energy: 0.4961335877154664
Energy: 0.6264980112153142
Energy: 0.4961335877169115
Energy: 0.6264937699225638
Energy: 0.49613358771835675
Energy: 0.6264821063114338
Energy: 0.6444852621325744
Energy: 0.5073314688275528
Energy: 0.6444852621345012
Energy: 0.5073314688265893
Energy: 0.6444852621325744
Energy: 0.5073314688280345
Energy: 0.5013509729940878
Energy: 0.6307136915941975
Energy: 0.5013509729916793
Energy: 0.6307136915966063
Energy: 0.5013509729931245
Energy: 0.6307136916014235
Energy: 0.5786500077145105
Energy: 0.5984155742498608
Energy: 0.5786495665186322
Energy: 0.5984155277594245
Energy: 0.5786484659456016
Energy: 0.5984153867703288
Energy: 0.6046745288544075
Energy: 0.5060638364061538
Energy: 0.6046745288544075
Energy: 0.5060638364061538
Energy: 0.6046745288544075
Energy: 0.5060638364066354
Energy: 0.5305918229089539
Energy: 0.576776621438463
Energy: 0.5305918229089539
Energy: 0.5767766214408715
Energy: 0.5305918229084721
Energy: 0.5767766214399082
Energy: 0.5293143233308684
Energy: 0.5054880570467621
Energy: 0.5293143233313502
Energy: 0.5054880570477256
Energy: 0.5293143233313502
Energy: 0.5054880570482073
Energy: 0.5810671561661553
Energy: 0.5038831828850271
Energy: 0.5810671561661553
Energy: 0.5038831828845454
Energy: 0.5810671561661553
Energy: 0.5038831828855087
Energy: 0.1588012950191392
Energy: 0.5404184400042277
Energy: 0.15880129501817575
Energy: 0.540418440003746
Energy: 0.15880129501962092
Energy: 0.540418440003746
Energy: 0.551501405531283
Energy: 0.5348889433761365
Energy: 0.551501405531283
Energy: 0.5348889433761365
Energy: 0.5515014055308013
Energy: 0.5348889433771

minimum gb energy = 0.1376909273376538 eV
minimum distance =  2.36701098821879 Angstroms
sigma value = 41


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

Energy: 0.743276938223835
Energy: 0.7595628530473595
Energy: 0.743276938223835
Energy: 0.7595628530473595
Energy: 0.7432769382251503
Energy: 0.7595628530473595
Energy: 0.7912648053654456
Energy: 0.7585657675924057
Energy: 0.7912648053667609
Energy: 0.7585657675924057
Energy: 0.7912648053667609
Energy: 0.7585657675924057
Energy: 0.8314961096637463
Energy: 0.7561298986873617
Energy: 0.831496109667692
Energy: 0.7561298986873617
Energy: 0.831496109667692
Energy: 0.756129898688677
Energy: 0.7382700466952717
Energy: 0.8463147351415762
Energy: 0.7382700466952717
Energy: 0.8463147351415762
Energy: 0.7382700466952717
Energy: 0.8463147351415762
Energy: 0.8298042111505026
Energy: 0.7635613069477766
Energy: 0.8298042111505026
Energy: 0.7635613069490919
Energy: 0.8298042111518179
Energy: 0.7635613069477766
Energy: 0.851145322721302
Energy: 0.8395826437476677
Energy: 0.851145322721302
Energy: 0.8395826437489828
Energy: 0.851145322721302
Energy: 0.8395826437476677
Energy: 0.7367557170139497
Energy: 0.8001570540145485
Energy: 0.7367557170139497
Energy: 0.8001570540132333
Energy: 0.7367557170139497
Energy: 0.8001570540145485
Energy: 0.7611388397417432
Energy: 0.7585835745059073
Energy: 0.7611388397417432
Energy: 0.7585835745059073
Energy: 0.761138839740428
Energy: 0.7585835745059073
Energy: 0.7914200933531373
Energy: 0.7832716231929657
Energy: 0.7914200933518222
Energy: 0.7832716231916504
Energy: 0.7914200933518222
Energy: 0.7832716231929657
Energy: 0.737701364266645
Energy: 0.7962957415215776
Energy: 0.7377013642653298
Energy: 0.7962957415202621
Energy: 0.737701364266645
Energy: 0.7962957415202621
Energy: 0.7848898561525212
Energy: 0.7567831955264354
Energy: 0.7848898561525212
Energy: 0.7567831955264354
Energy: 0.7848898561525212
Energy: 0.7567831955264354
Energy: 0.7870432665970473
Energy: 0.7575145073678858
Energy: 0.7870432665970473
Energy: 0.7575145073678858
Energy: 0.7870432665970473
Energy: 0.757514507369201
Energy: 0.7632549895611848
Energy: 0.8464407471050848
Energy: 0.7632549895611848
Energy: 0.8464407471050848
Energy: 0.7632549895611848
Energy: 0.8464407471037696
Energy: 0.8287832000432204
Energy: 0.7585569610132392
Energy: 0.8287832000432204
Energy: 0.7585569610132392
Energy: 0.8287832000432204
Energy: 0.7585569610132392

minimum gb energy = 0.7367557170139497 eV
minimum distance =  2.35007551327718 Angstroms
sigma value = 11


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

Energy: 0.8921072302534492
Energy: 0.950801167826267
Energy: 0.8921072302522934
Energy: 0.950801167826267
Energy: 0.8921072302528713
Energy: 0.950801167826267
Energy: 0.9301720658326441
Energy: 0.8990744158914385
Energy: 0.9301720658332219
Energy: 0.8990744158891274
Energy: 0.9301720658337997
Energy: 0.8990744158891274
Energy: 1.0315156334416045
Energy: 0.9193439893616315
Energy: 1.0315156334410265
Energy: 0.9193439893679872
Energy: 1.0315156334404487
Energy: 0.9193439893616315
Energy: 0.9149506531447092
Energy: 0.9855619434933233
Energy: 0.9149506531447092
Energy: 0.9855619434944789
Energy: 0.9149506531452869
Energy: 0.9855619434933233
Energy: 0.9961466864053904
Energy: 0.9393182230844755
Energy: 0.9961466821252858
Energy: 0.9393182230844755
Energy: 0.9961466666387502
Energy: 0.9393182230838977
Energy: 0.9132048770251375
Energy: 0.9423353481314153
Energy: 0.9132048770262932
Energy: 0.942335348134882
Energy: 0.9132048770245599
Energy: 0.942335348132571
Energy: 0.932165328252598
Energy: 1.0313069006062603
Energy: 0.932165328252598
Energy: 1.0313069006056825
Energy: 0.9321653282520204
Energy: 1.031306900604527
Energy: 0.9774767235159273
Energy: 0.8994362151737572
Energy: 0.9774767235153494
Energy: 0.8994362151737572
Energy: 0.9774767235153494
Energy: 0.8994362151737572
Energy: 0.966125689564367
Energy: 0.9000800314720515
Energy: 0.9661256895620559
Energy: 0.9000800314726293
Energy: 0.9661256895637892
Energy: 0.9000800314726293
Energy: 0.9302734881295747
Energy: 0.9868820512909928
Energy: 0.9302734881295747
Energy: 0.9868820512239956
Energy: 0.9302734881301523
Energy: 0.9868820510097409
Energy: 0.948767205350237
Energy: 0.9431614100494359
Energy: 0.9487672053508146
Energy: 0.9431614100448137
Energy: 0.9487672053513924
Energy: 0.9431614100494359
Energy: 0.9686629563259079
Energy: 0.9368002988187799
Energy: 0.9686629563247523
Energy: 0.9368002988187799
Energy: 0.9686629563253301
Energy: 0.9368002988210912
Energy: 0.9141385023559647
Energy: 0.9536469144982589
Energy: 0.9141385023565426
Energy: 0.9536469144971034
Energy: 0.9141385023571204
Energy: 0.9536469144971034
Energy: 1.0347380982105114
Energy: 0.8928417982250505
Energy: 1.034738098211667
Energy: 0.8928417982273618
Energy: 1.034738098211089
Energy: 0.8928417982244728
Energy: 0.9738404636715127
Energy: 0.9202275091845434
Energy: 0.9738404636715127
Energy: 0.9202275091845434
Energy: 0.9738404636715127
Energy: 0.9202275091851211
Energy: 0.9301357197211853
Energy: 0.9728936485658742
Energy: 0.9301357197211853
Energy: 0.9728936485664521
Energy: 0.9301357197217631
Energy: 0.9728936485624076
Energy: 0.9480689293348344
Energy: 0.9208555106247099
Energy: 0.9480689293371457
Energy: 0.9208555106252877
Energy: 0.9480689293354123
Energy: 0.9208555106258656
Energy: 0.9674317328419746
Energy: 0.9717460347571257
Energy: 0.9674317328419746
Energy: 0.9717460347577035
Energy: 0.9674317328413968
Energy: 0.9717460347559701
Energy: 0.9261415264108831
Energy: 0.9591974214058011
Energy: 0.9261415264108831
Energy: 0.9591974214058011
Energy: 0.9261415264103052
Energy: 0.9591974214052232
Energy: 1.0348982261255082
Energy: 0.935675171722387
Energy: 1.0348982261249304
Energy: 0.9356751717218093
Energy: 1.0348982261249304
Energy: 0.9356751717229649
Energy: 0.9104764432586225
Energy: 0.9756749338183623
Energy: 0.9104764432603558
Energy: 0.9756749338189402
Energy: 0.9104764432603558
Energy: 0.9756749338183623
Energy: 0.8988190090968528
Energy: 1.023086023791436
Energy: 0.8988190090985861
Energy: 1.0230860237908581
Energy: 0.8988190090974306
Energy: 1.0230860237908581
Energy: 1.0006733278860327
Energy: 0.920846952030418
Energy: 1.0006733278848772
Energy: 0.920846952030418
Energy: 1.0006733278848772
Energy: 0.920846952030418
Energy: 0.9925873118498402
Energy: 0.9018234013811204
Energy: 0.9925873118504179
Energy: 0.9018234013776536
Energy: 0.9925873118498402
Energy: 0.9018234013770758
Energy: 0.928574872161969
Energy: 0.9829302922794647
Energy: 0.928574872161969
Energy: 0.9829302922823537
Energy: 0.9285748721613912
Energy: 0.9829302922811981
Energy: 0.9979953653690797
Energy: 0.9341644585331521
Energy: 0.9979953653679242
Energy: 0.9341644585331521
Energy: 0.9979953653679242
Energy: 0.9341644585331521
Energy: 0.9249152146012878
Energy: 1.0427567751328572
Energy: 0.9249152146024433
Energy: 1.0427567751305458
Energy: 0.9249152146012878
Energy: 1.0427567751311237
Energy: 0.885508180298068
Energy: 0.9625599699424514
Energy: 0.8855081802969125
Energy: 0.9625599699424514
Energy: 0.8855081802974903
Energy: 0.9625599699424514
Energy: 0.9881237043750847
Energy: 0.9118488962566337
Energy: 0.9881237043762403
Energy: 0.9118488962560558
Energy: 0.9881237043750847
Energy: 0.9118488962560558
Energy: 0.9412074707234411
Energy: 0.9373544974776588
Energy: 0.9412074707228634
Energy: 0.9373544974776588
Energy: 0.9412074707234411
Energy: 0.9373544974776588
Energy: 0.9281417924537589
Energy: 1.0276979540530113
Energy: 0.9281417924537589
Energy: 1.0276979540530113
Energy: 0.9281417924531812
Energy: 1.0276979540524334

minimum gb energy = 0.8855081802969125 eV
minimum distance =  2.26554407401968 Angstroms
sigma value = 57


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

Energy: 1.1484351606130843
Energy: 1.160988103787989
Energy: 1.1484351606130843
Energy: 1.1609881037910739
Energy: 1.1484351606130843
Energy: 1.160988103787989
Energy: 0.9968922964810483
Energy: 1.0360136687729635
Energy: 0.9968922964789919
Energy: 1.0360136687729635
Energy: 0.9968922964789919
Energy: 1.0360136687729635
Energy: 1.1636206887568497
Energy: 1.0484711240303146
Energy: 1.1636206887547935
Energy: 1.0484711240303146
Energy: 1.1636206887547935
Energy: 1.0484711240292863
Energy: 0.9949290610813383
Energy: 1.0758165477646766
Energy: 0.9949290610803101
Energy: 1.0758165477646766
Energy: 0.9949290610803101
Energy: 1.0796080543144673
Energy: 1.163381236710731
Energy: 1.0484635177302155
Energy: 1.163381236709703
Energy: 1.0484635177302155
Energy: 1.163381236710731
Energy: 1.0484635177302155
Energy: 0.996984687882336
Energy: 1.0998453176688112
Energy: 0.996984687882336
Energy: 1.0998453176677832
Energy: 0.996984687882336
Energy: 1.0998453176677832
Energy: 1.148435160614112
Energy: 1.160988103787989
Energy: 1.148435160614112
Energy: 1.160988103787989
Energy: 1.148435160614112
Energy: 1.1609881037890173
Energy: 0.9968922964800201
Energy: 1.0360136687729635
Energy: 0.9968922964800201
Energy: 1.0360136687739918
Energy: 0.9968922964779638
Energy: 1.0360136687739918
Energy: 1.1636206887568497
Energy: 1.0484711240292863
Energy: 1.1636206887547935
Energy: 1.0484711240292863
Energy: 1.1636206887558218
Energy: 1.0484711240292863
Energy: 0.9949290610813383
Energy: 1.114963156600697
Energy: 0.9949290610803101
Energy: 1.114963156600697
Energy: 0.9949290610813383
Energy: 1.1432358632128228
Energy: 1.163381236710731
Energy: 1.0484635177302155
Energy: 1.163381236709703
Energy: 1.0484635177302155
Energy: 1.163381236710731
Energy: 1.0484635177302155
Energy: 0.9969846878843924
Energy: 1.0998453176677832
Energy: 0.996984687882336
Energy: 1.0998453176677832
Energy: 0.9969846878833641
Energy: 1.0998453176677832
Energy: 1.1484351606130843
Energy: 1.1609881037890173
Energy: 1.1484351606130843
Energy: 1.1609881037910739
Energy: 1.1484351606130843
Energy: 1.160988103787989
Energy: 0.9968922964800201
Energy: 1.0360136687729635
Energy: 0.9968922964800201
Energy: 1.0360136687729635
Energy: 0.9968922964789919
Energy: 1.0360136687729635
Energy: 1.1636206887568497
Energy: 1.0484711240303146
Energy: 1.1636206887558218
Energy: 1.0484711240292863
Energy: 1.1636206887558218
Energy: 1.0484711240292863
Energy: 0.9949290610803101
Energy: 1.114963156600697
Energy: 0.9949290610803101
Energy: 1.114963156600697
Energy: 0.9949290610813383
Energy: 1.1236224614700385
Energy: 1.163381236710731
Energy: 1.0484635177302155
Energy: 1.163381236710731
Energy: 1.0484635177302155
Energy: 1.163381236710731
Energy: 1.0484635177302155

minimum gb energy = 0.9949290610803101 eV
minimum distance =  2.3141883094582 Angstroms
sigma value = 9


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

Energy: 1.0983989680614368
Energy: 1.0258041188550486
Energy: 1.0983989680622763
Energy: 1.0258041188550486
Energy: 1.0983989680639552
Energy: 1.0258041188550486
Energy: 1.0349103465179335
Energy: 1.1075506797313834
Energy: 1.034910346518773
Energy: 1.1075506797313834
Energy: 1.0349103465196126
Energy: 1.1075506797313834
Energy: 1.0949147831456962
Energy: 1.0173408815371956
Energy: 1.0949147831482144
Energy: 1.017340881536356
Energy: 1.0949147831482144
Energy: 1.0173408815371956
Energy: 1.01777114790363
Energy: 1.1073515423824714
Energy: 1.0177711479044693
Energy: 1.1073515423824714
Energy: 1.01777114790363
Energy: 1.1073515423824714
Energy: 1.072346779519938
Energy: 1.0085366617914528
Energy: 1.0723467795190984
Energy: 1.0085366615766151
Energy: 1.0723467795207775
Energy: 1.0085366611990272
Energy: 1.0956698118758799
Energy: 1.023357452732427
Energy: 1.0956698118767194
Energy: 1.023357452732427
Energy: 1.0956698118758799
Energy: 1.023357452732427
Energy: 1.015104263470061
Energy: 1.130197461149982
Energy: 1.015104263470061
Energy: 1.1301974611508216
Energy: 1.015104263470061
Energy: 1.1301974611508216
Energy: 1.0108662756373747
Energy: 1.0976809713097415
Energy: 1.0108662756373747
Energy: 1.0976809713097415
Energy: 1.0108662756356956
Energy: 1.0976809713097415
Energy: 1.125858463387643
Energy: 1.0706788594259409
Energy: 1.125858463387643
Energy: 1.0706788594259409
Energy: 1.125858463387643
Energy: 1.0706788594251013
Energy: 1.0173676126358777
Energy: 1.066442851247268
Energy: 1.0173676126350384
Energy: 1.0664428512481077
Energy: 1.0173676126350384
Energy: 1.0664428512481077
Energy: 1.1051770665873806
Energy: 1.0505590858093905
Energy: 1.0974623328415314
Energy: 1.0505590858119092
Energy: 1.0974623328415314
Energy: 1.05055908581023
Energy: 1.1472499242113756
Energy: 1.0237962372000116
Energy: 1.147249924212215
Energy: 1.023796237200851
Energy: 1.1472499242113756
Energy: 1.023796237200851
Energy: 1.0194572826726496
Energy: 1.0945578955686084
Energy: 1.0194572826726496
Energy: 1.0945578955677688
Energy: 1.0194572826726496
Energy: 1.0945578955686084
Energy: 1.0941007867652812
Energy: 1.0992689272010077
Energy: 1.0941007867652812
Energy: 1.0992689272001681
Energy: 1.0941007867652812
Energy: 1.0992689272001681
Energy: 1.1785974016237446
Energy: 1.0225303023545582
Energy: 1.1785974016237446
Energy: 1.0225303023545582
Energy: 1.1785974016203864
Energy: 1.0225303023545582
Energy: 1.013179345227382
Energy: 1.1352844293406779
Energy: 1.013179345220666
Energy: 1.1352844293406779
Energy: 1.0131793452097526
Energy: 1.1352844293406779
Energy: 1.0756471659637972
Energy: 1.1018351215422835
Energy: 1.0756471659646367
Energy: 1.1018351215422835
Energy: 1.0756471659654763
Energy: 1.1018351215431228
Energy: 1.0561300587572362
Energy: 1.0233736080019122
Energy: 1.0563690954005054
Energy: 1.0233736080027518
Energy: 1.0563041093103136
Energy: 1.0233736080019122
Energy: 1.0163886446859083
Energy: 1.0960662200454812
Energy: 1.0163886446867476
Energy: 1.0960662200454812
Energy: 1.0163886446867476
Energy: 1.0960662200454812
Energy: 1.0586355033005912
Energy: 1.0216940419226253
Energy: 1.0586355033014307
Energy: 1.0216940419226253
Energy: 1.0586355033005912
Energy: 1.0216940419226253
Energy: 1.1381399544615312
Energy: 1.1408323228613098
Energy: 1.13813995446321
Energy: 1.1408323228613098
Energy: 1.1381399544623707
Energy: 1.1408323228613098

minimum gb energy = 1.0085366611990272 eV
minimum distance =  2.29531791106656 Angstroms
sigma value = 27


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

Energy: 1.1062866309569523
Energy: 1.025015777094542
Energy: 1.10628663095766
Energy: 1.0250157770980803
Energy: 1.1062866309569523
Energy: 1.0250157770895887
Energy: 1.190144417868017
Energy: 1.0653676894582074
Energy: 1.1901444178673095
Energy: 1.0653676894574997
Energy: 1.1901444178673095
Energy: 1.0653676894582074
Energy: 1.0751938333273698
Energy: 1.0776888801482616
Energy: 1.0751938333266624
Energy: 1.077688880147554
Energy: 1.0751938333273698
Energy: 1.0776888801482616
Energy: 1.154504601624997
Energy: 1.0837408265893194
Energy: 1.1545046016242893
Energy: 1.0837408265893194
Energy: 1.1545046016242893
Energy: 1.0837408265893194
Energy: 1.130383481456031
Energy: 1.1447902005783803
Energy: 1.1303834814553235
Energy: 1.1447902005783803
Energy: 1.1303834814553235
Energy: 1.144790200577673
Energy: 1.0785557517423918
Energy: 1.1009552068992277
Energy: 1.0785557491457876
Energy: 1.10095520689852
Energy: 1.078555741534912
Energy: 1.1009552069020583
Energy: 1.0742026294784608
Energy: 1.1449167803327511
Energy: 1.0742026294777531
Energy: 1.1449167803341664
Energy: 1.0742026294777531
Energy: 1.1449167803327511
Energy: 1.0985574410508796
Energy: 1.1230293189182974
Energy: 1.0985574410508796
Energy: 1.1230293189182974
Energy: 1.0985574410515873
Energy: 1.1230293189182974
Energy: 1.1395347284169959
Energy: 1.0676605644891348
Energy: 1.1395347284162882
Energy: 1.0676605644891348
Energy: 1.1395347284162882
Energy: 1.0676605644898425
Energy: 1.07884046552057
Energy: 1.0553447188126448
Energy: 1.0788404655177393
Energy: 1.0553447188126448
Energy: 1.0788404655184471
Energy: 1.0553447188112297
Energy: 1.1533339155380296
Energy: 1.03063143406075
Energy: 1.1533339155401525
Energy: 1.030631434050843
Energy: 1.1533339155380296
Energy: 1.0306314340501355
Energy: 1.0650972901674125
Energy: 1.0672260273956675
Energy: 1.0650972901659972
Energy: 1.0672260273949596
Energy: 1.0650972901659972
Energy: 1.0672260273963752
Energy: 1.1212649930133434
Energy: 1.0678536447374714
Energy: 1.121264993016174
Energy: 1.0678536447374714
Energy: 1.121264993014759
Energy: 1.0678536447374714
Energy: 1.0735231916944017
Energy: 1.1403110109457746
Energy: 1.0735231916944017
Energy: 1.140311010945067
Energy: 1.0735231916944017
Energy: 1.140311010946482
Energy: 1.0977744084233867
Energy: 1.1014514025421083
Energy: 1.0977744084233867
Energy: 1.101451402540693
Energy: 1.0977744084240944
Energy: 1.1014514025421083
Energy: 1.0808936861774832
Energy: 1.1444208951125585
Energy: 1.0808936861767757
Energy: 1.1444208951125585
Energy: 1.0808936861767757
Energy: 1.1444208951132662
Energy: 1.137581384012736
Energy: 1.0826037947409202
Energy: 1.1375813840113207
Energy: 1.0826037947409202
Energy: 1.1375813840120284
Energy: 1.0826037947416276
Energy: 1.0532719729301012
Energy: 1.0776583767776673
Energy: 1.053271972928686
Energy: 1.0776583767776673
Energy: 1.0532719729293933
Energy: 1.0776583767776673
Energy: 1.0551703896812512
Energy: 1.0665693931878197
Energy: 1.0551703896112266
Energy: 1.066569393187112
Energy: 1.055170389410352
Energy: 1.066569393187112
Energy: 1.10628663095766
Energy: 1.0250157771002033
Energy: 1.1062866309569523
Energy: 1.0250157771002033
Energy: 1.1062866309562447
Energy: 1.0250157771065398
Energy: 1.190144417868017
Energy: 1.0653676894582074
Energy: 1.1901444178666019
Energy: 1.0653676894574997
Energy: 1.1901444178673095
Energy: 1.0653676894582074
Energy: 1.0751938333266624
Energy: 1.0776888801489692
Energy: 1.0751938333266624
Energy: 1.077688880147554
Energy: 1.0751938333266624
Energy: 1.0776888801482616
Energy: 1.1545046016257048
Energy: 1.083740826590027
Energy: 1.1545046016257048
Energy: 1.083740826590027
Energy: 1.154504601624997
Energy: 1.083740826590027
Energy: 1.1303834814553235
Energy: 1.144790200579088
Energy: 1.130383481456031
Energy: 1.144790200579088
Energy: 1.130383481456031
Energy: 1.144790200577673
Energy: 1.078555751755837
Energy: 1.1009552068999353
Energy: 1.078555748560823
Energy: 1.100955206900643
Energy: 1.0785557413644662
Energy: 1.1009552068992277

minimum gb energy = 1.0250157770895887 eV
minimum distance =  2.2990859782016 Angstroms
sigma value = 19


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

Energy: 1.1526338804357519
Energy: 1.1029001077243894
Energy: 1.1526338804363627
Energy: 1.102900107723168
Energy: 1.1526338804357519
Energy: 1.1029001077243894
Energy: 1.0398419821753304
Energy: 1.0417750906785637
Energy: 1.039841982176552
Energy: 1.0417750906791747
Energy: 1.039841982176552
Energy: 1.0417750906791747
Energy: 1.0919597866751212
Energy: 1.025285970740332
Energy: 1.0919597866726778
Energy: 1.0252859707391104
Energy: 1.09195978667451
Energy: 1.0252859707384996
Energy: 1.0635181039000736
Energy: 1.0176404236861987
Energy: 1.0635181038994628
Energy: 1.0176404236861987
Energy: 1.0635181038994628
Energy: 1.0176404236861987
Energy: 1.0392310452879192
Energy: 1.033966797933442
Energy: 1.0392310452879192
Energy: 1.03396679793222
Energy: 1.039231045289141
Energy: 1.03396679793222
Energy: 1.0143651795632
Energy: 1.04101478094597
Energy: 1.0143651795625892
Energy: 1.04101478094597
Energy: 1.0143651795625892
Energy: 1.0410147809429158
Energy: 1.0272807612488255
Energy: 1.0519010871682484
Energy: 1.0272807612494363
Energy: 1.05190108716947
Energy: 1.0272807612482147
Energy: 1.0519010871670267
Energy: 1.040134109639763
Energy: 1.0591474751039278
Energy: 1.040134109639763
Energy: 1.0591474751039278
Energy: 1.040134109639152
Energy: 1.0591474751051495
Energy: 1.0554692164321693
Energy: 1.0856195006840141
Energy: 1.0554692164297261
Energy: 1.0856195006834033
Energy: 1.0554692164175097
Energy: 1.0856195006840141
Energy: 1.035438063938212
Energy: 1.0373913267492454
Energy: 1.035438063937601
Energy: 1.037391326751078
Energy: 1.0354380639363796
Energy: 1.0373913267492454
Energy: 1.0324098904044088
Energy: 1.0827619395559407
Energy: 1.0324098904037982
Energy: 1.0827619395553298
Energy: 1.0324098904050198
Energy: 1.0827619395559407
Energy: 1.0418735505141319
Energy: 1.0264043503675482
Energy: 1.0418735505141319
Energy: 1.0264043503693805
Energy: 1.0418735505165753
Energy: 1.026404350368159
Energy: 1.0085902685034422
Energy: 1.0327190886812814
Energy: 1.0085902685034422
Energy: 1.0327190886818922
Energy: 1.0085902685028314
Energy: 1.0327190886818922
Energy: 1.0458595957596333
Energy: 0.9980075617107074
Energy: 1.0458595957590224
Energy: 0.9980075617107074
Energy: 1.0458595957596333
Energy: 0.998007561711318
Energy: 1.0334101714473756
Energy: 1.0256630247532437
Energy: 1.0334101714473756
Energy: 1.0256630247538545
Energy: 1.0334101714461539
Energy: 1.0256630247538545
Energy: 1.1002317879564647
Energy: 1.0303550782569137
Energy: 1.1002317879570758
Energy: 1.030355078255692
Energy: 1.1002317879570758
Energy: 1.0303550782569137
Energy: 1.0474626881084712
Energy: 1.0600628876408045
Energy: 1.047462688109082
Energy: 1.0600628876420262
Energy: 1.0474626881096931
Energy: 1.0600628876420262
Energy: 1.063553303968148
Energy: 1.0425879734868067
Energy: 1.063553303968148
Energy: 1.0425879734886392
Energy: 1.063553303968148
Energy: 1.0425879734886392
Energy: 1.0264961413638714
Energy: 1.0334925075869679
Energy: 1.0264961413638714
Energy: 1.0334925075875785
Energy: 1.0264961413626494
Energy: 1.0334925075869679
Energy: 1.0169613648666884
Energy: 0.9785675225956446
Energy: 1.0169613648679097
Energy: 0.9785675225950338
Energy: 1.0169613648679097
Energy: 0.9785675225956446
Energy: 1.0387949195934212
Energy: 1.0579178648705267
Energy: 1.0387949195921997
Energy: 1.0579178648711374
Energy: 1.0387949195934212
Energy: 1.0579178648705267
Energy: 1.0893295426760734
Energy: 1.04496875986868
Energy: 1.0893295400188991
Energy: 1.04496875986868
Energy: 1.0893295312536826
Energy: 1.0449687598674582
Energy: 1.0401471190961245
Energy: 1.0397711485806787
Energy: 1.0401471190955136
Energy: 1.0397711485812893
Energy: 1.0401471190955136
Energy: 1.0397711485806787
Energy: 1.0408801922499054
Energy: 1.0420900310679262
Energy: 1.0408801922505162
Energy: 1.0420900310673153
Energy: 1.0408801922492947
Energy: 1.0420900310673153
Energy: 0.9747676884581807
Energy: 1.0572736458938663
Energy: 0.9747676884581807
Energy: 1.0572736458938663
Energy: 0.9747676884587917
Energy: 1.0572736458944771
Energy: 1.0265058548901025
Energy: 1.067294859590073
Energy: 1.0265058548894916
Energy: 1.0672948595888514
Energy: 1.0265058548894916
Energy: 1.0672948595888514
Energy: 1.0276252983333072
Energy: 1.020613782616347
Energy: 1.0276252983326963
Energy: 1.020613782616958
Energy: 1.0276252983339178
Energy: 1.020613782615764
Energy: 1.0040588447244796
Energy: 1.0324304841938765
Energy: 1.0040588447244796
Energy: 1.0324304841969305
Energy: 1.004058844722647
Energy: 1.0324304841963199
Energy: 1.0398353722044582
Energy: 1.033230647087648
Energy: 1.0398353722044582
Energy: 1.033230647087648
Energy: 1.0398353722056797
Energy: 1.0332306470870372

minimum gb energy = 0.9747676884581807 eV
minimum distance =  2.27440754265892 Angstroms
sigma value = 101


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

Energy: 1.0994621416678234
Energy: 0.9728897043972321
Energy: 1.0994621416683603
Energy: 0.9728897043972321
Energy: 1.0994621416678234
Energy: 0.972889704398843
Energy: 1.0120665057584999
Energy: 1.0256636884543153
Energy: 1.0120665057579625
Energy: 1.0256636884548522
Energy: 1.0120665057579625
Energy: 1.0256636884548522
Energy: 0.9938783204927606
Energy: 1.0225968279963453
Energy: 0.9938783204938344
Energy: 1.0225968279984932
Energy: 0.9938783204932975
Energy: 1.0225968279968822
Energy: 1.0137468426636638
Energy: 1.0241137670860643
Energy: 1.0137468426631269
Energy: 1.024113767087138
Energy: 1.013746842664201
Energy: 1.024113767087138
Energy: 1.0133132169577312
Energy: 0.9968494295030289
Energy: 1.0133132169561203
Energy: 0.996849429502492
Energy: 1.0133132169577312
Energy: 0.9968494294965855
Energy: 0.9589328740032087
Energy: 1.0367453426409095
Energy: 0.9589328740032087
Energy: 1.0367453426409095
Energy: 0.9589328740042826
Energy: 1.0367453426409095
Energy: 1.0250336125539556
Energy: 1.015075449185676
Energy: 1.0250336125539556
Energy: 1.015075449185139
Energy: 1.0250336125539556
Energy: 1.015075449185676
Energy: 1.0192072876920069
Energy: 1.0387354882652415
Energy: 1.0192072876930809
Energy: 1.0387354882652415
Energy: 1.0192072876930809
Energy: 1.0387354882663153
Energy: 0.960463840988797
Energy: 1.016724708801795
Energy: 0.9604638409904079
Energy: 1.0167247088028688
Energy: 0.960463840988797
Energy: 1.016724708802332
Energy: 1.013363880562872
Energy: 1.0060560995658596
Energy: 1.0133638805617982
Energy: 1.0060560995669334
Energy: 1.013363880563946
Energy: 1.0060560995653225
Energy: 1.027084262789934
Energy: 1.1837566761756169
Energy: 1.027084262789934
Energy: 1.183756676176154
Energy: 1.027084262789934
Energy: 1.1837566761783016
Energy: 1.0110131597122598
Energy: 1.0257441276521024
Energy: 1.011013159711723
Energy: 1.0257441276521024
Energy: 1.0110131597122598
Energy: 1.0257441276521024
Energy: 0.9509621115277638
Energy: 1.019509309397834
Energy: 0.9509621115277638
Energy: 1.0195093093983711
Energy: 0.9509621115288377
Energy: 1.019509309397834
Energy: 1.0049223925053512
Energy: 1.0436750405984367
Energy: 1.0049223925053512
Energy: 1.0436750405968258
Energy: 1.004922392505888
Energy: 1.043675040597363
Energy: 1.0055913438225483
Energy: 1.0039254719703545
Energy: 1.0055913438236221
Energy: 1.0039254719703545
Energy: 1.0055913438230852
Energy: 1.0039254719703545
Energy: 1.0107785022291405
Energy: 1.0302172692084313
Energy: 1.0107785022259186
Energy: 1.0302172692078941
Energy: 1.0107785022280664
Energy: 1.0302172692078941
Energy: 1.0221310804749373
Energy: 1.0900196686242016
Energy: 1.0221310804744006
Energy: 1.090019668622054
Energy: 1.0221310804744006
Energy: 1.0900196686225911
Energy: 1.0173891286128043
Energy: 0.9476933906685242
Energy: 1.0173891286128043
Energy: 0.9476933906690613
Energy: 1.0173891286128043
Energy: 0.9476933906717461
Energy: 0.9612676787918308
Energy: 1.016827304044561
Energy: 0.9612676787912939
Energy: 1.0168273040456348
Energy: 0.9612676787912939
Energy: 1.0168273040429503
Energy: 1.0223280528947243
Energy: 0.9726886997579137
Energy: 1.0223280528952612
Energy: 0.9726886997573767
Energy: 1.0223280528947243
Energy: 0.9726886997584506
Energy: 1.0231802207485072
Energy: 1.123118822293795
Energy: 1.0231802207490444
Energy: 1.1231188222921844
Energy: 1.0231802207490444
Energy: 1.1231188222932582
Energy: 0.9930154918041284
Energy: 1.0268122354422118
Energy: 0.9930154918046652
Energy: 1.0268122354422118
Energy: 0.9930154918052021
Energy: 1.0268122354427485
Energy: 1.0149905194175461
Energy: 1.0173288680272436
Energy: 1.0149905194164723
Energy: 1.0173288680267065
Energy: 1.0149905194180833
Energy: 1.0173288680272436
Energy: 1.0139199903945202
Energy: 1.1593503770547775
Energy: 1.0139199903934466
Energy: 1.1593503770558515
Energy: 1.013919990395057
Energy: 1.1593503770542406
Energy: 1.0209804461627736
Energy: 1.004055128310678
Energy: 1.0209804461611627
Energy: 1.004055128309604
Energy: 1.0209804461622367
Energy: 1.0040551283085302
Energy: 0.9506239743617515
Energy: 1.0285304732389946
Energy: 0.9506239743601408
Energy: 1.0285304732379208
Energy: 0.9506239743612147
Energy: 1.0285304732384577
Energy: 1.0109602453824362
Energy: 1.02334257480712
Energy: 1.0109602453818993
Energy: 1.023342574807657
Energy: 1.0109602453824362
Energy: 1.0233425748065832
Energy: 1.0130042619601485
Energy: 0.9491176830598452
Energy: 1.0130042619606854
Energy: 0.9491176830598452
Energy: 1.0130042619601485
Energy: 0.949117683060382
Energy: 1.1600509420875686
Energy: 1.0141999099161183
Energy: 1.1600509420886427
Energy: 1.0141999099166554
Energy: 1.1600509420881058
Energy: 1.0141999099166554
Energy: 1.0170663496638335
Energy: 0.994067028771211
Energy: 1.0170663496616859
Energy: 0.994067028770137
Energy: 1.0170663496632966
Energy: 0.9940670287706739
Energy: 1.022749168382748
Energy: 0.9776400325454109
Energy: 1.0227491683832852
Energy: 0.9776400325475587
Energy: 1.0227491683832852
Energy: 0.977640032544874
Energy: 1.0124728135325005
Energy: 1.0286463617250818
Energy: 1.0124728135325005
Energy: 1.028646361724545
Energy: 1.0124728135314267
Energy: 1.0286463617250818
Energy: 1.0152147032666445
Energy: 1.0233604466446176
Energy: 1.0152147032666445
Energy: 1.0233604466456914
Energy: 1.0152147032671817
Energy: 1.0233604466440804

minimum gb energy = 0.9476933906685242 eV
minimum distance =  2.28736958053251 Angstroms
sigma value = 33


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

Energy: 0.01868240131201651
Energy: 0.7090851456075822
Energy: 0.01868240131201651
Energy: 0.7090851456080284
Energy: 0.01868240131157038
Energy: 0.7090851456075822
Energy: 0.01951237964770248
Energy: -0.5051994759951098
Energy: 0.01951237964770248
Energy: -0.5051994759942671
Energy: 0.01951237964770248
Energy: -0.5051994759947133
Energy: 0.7094033930574546
Energy: -0.5031590128825087
Energy: 0.7094033931703763
Energy: -0.5031590128825087
Energy: 0.7094033930906173
Energy: -0.5031590128807242
Energy: 0.019512379647256342
Energy: -0.5051994759947133
Energy: 0.019512379647256342
Energy: -0.5051994759947133
Energy: 0.019512379647256342
Energy: -0.5051994759942671

minimum gb energy = -0.5051994759951098 eV
minimum distance =  2.45621626862037 Angstroms
sigma value = 1