Model name: model_name=MEAM_LAMMPS_MahataMukhopadhyayAsleZaeem_2022_AlFe__MO_304347095149_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Fe
Lattice type: short_name=bcc
Lattice constant (meters) and cohesive energy (J): a=2.850243076682091
cohesive_energy=4.290676325982293
mass=55.845
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[1.70678274643386e-19, 2.7031763951184596e-19, 3.4023182128970396e-19, 3.9109932724257e-19, 4.33782914948964e-19, 4.702772943182159e-19, 5.01852991421088e-19, 5.29378385993208e-19, 5.53486337805006e-19, 5.7465269331678e-19, 5.93247555330984e-19, 6.095673265249079e-19, 6.23850731217018e-19, 6.36299643663198e-19, 6.4707908805675e-19, 6.56333260294734e-19, 6.641839258013339e-19, 6.707384304110279e-19, 6.760864960153199e-19, 6.803130379758119e-19, 6.834885520644e-19, 6.85681931876346e-19, 6.86968479713448e-19, 6.873882499915559e-19, 6.8693483400413395e-19, 6.85472046737292e-19, 6.82822046584656e-19, 6.78781357113708e-19, 6.731080496527139e-19, 6.655105280542859e-19, 6.556443243421139e-19, 6.430864638848219e-19, 6.27329056689432e-19, 6.07750458221952e-19, 5.83591236757866e-19, 5.53910914613016e-19, 5.1754310719785e-19, 4.73017016362356e-19, 4.18474117211094e-19, 3.51539983972476e-19, 2.6913202880268595e-19, 1.67222379643848e-19, 4.0439418895150196e-20, -1.1846574140627699e-19, -3.19680701605386e-19, -5.78400184463706e-19, -9.1846377720684e-19, -1.3793763490993258e-18, -2.03101523185644e-18, -3.0073656508496995e-18, -4.594609998620819e-18, -7.47873622278324e-18, -1.352736958205808e-17, -2.85706546081416e-17]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: 0.0 eV

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

Energy: 0.013310522948405346
Energy: 1.0972111301627054
Energy: 1.968219597096105
Energy: 0.013852840622242903
Energy: 1.0972111301627054
Energy: 0.21073756531501037
Energy: 1.0960925828488222
Energy: 0.21073756531501037
Energy: 1.9682195970990477
Energy: 1.0960925828488222
Energy: 1.4218898312740587
Energy: 1.0960925828488222
Energy: 0.013852840622242903
Energy: 0.21073756531501037
Energy: 1.0960925828488222
Energy: 0.21073756531501037

minimum gb energy = 0.013310522948405346 eV
minimum distance =  2.42734987943494 Angstroms
sigma value = 1


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

Energy: 2.087651789966744
Energy: 0.8655533400598416
Energy: 1.1294185187756405
Energy: 0.9881029261207493
Energy: 1.8364935268136413
Energy: 0.8657990621499247
Energy: 0.8653434556774637
Energy: 0.8657990621511483
Energy: 1.8266856560761107
Energy: 0.8658480507155861
Energy: 0.8664114233685516
Energy: 0.8658480507155861
Energy: 1.8364572497353298
Energy: 0.8656905361230289
Energy: 0.8659893932652667
Energy: 0.8656905361230289
Energy: 1.506477299632472
Energy: 0.8727815723703279
Energy: 1.176203640521496
Energy: 0.8727815723703279
Energy: 1.8363301339003855
Energy: 0.865162445992021
Energy: 1.1354017031111605
Energy: 0.865162445992021
Energy: 1.6362670496582767
Energy: 0.8650746895176029
Energy: 1.1402321628366998
Energy: 0.8650746895176029
Energy: 1.5119166285251162
Energy: 0.8652276805868989
Energy: 1.1402542200557186
Energy: 0.8652276805868989
Energy: 1.3181856774332266
Energy: 0.9294245840643793
Energy: 1.4669627013413482
Energy: 0.9294245840643793
Energy: 1.5103524607813181
Energy: 0.9295462885998257
Energy: 1.5092367368472046
Energy: 0.9295462886010494
Energy: 1.4641714354000184
Energy: 0.9321128274447729
Energy: 1.4133221997610053
Energy: 0.9321128274459966
Energy: 1.140887559319574
Energy: 0.8649675500934985
Energy: 1.508685762424501
Energy: 0.8649675500947221
Energy: 1.1406211706214073
Energy: 0.8651194317785544
Energy: 1.5088228329355424
Energy: 0.8651194317785544
Energy: 1.1263454107482074
Energy: 0.8657031097930763
Energy: 1.8366227124304884
Energy: 0.8657031097930763
Energy: 1.1430004619223881
Energy: 0.874223359840913
Energy: 1.599292396258512
Energy: 0.874223359840913
Energy: 0.8660730485236471
Energy: 0.8658496570379701
Energy: 1.827529635079756
Energy: 0.8658496570367464
Energy: 0.865848879423602
Energy: 0.8658532387864809
Energy: 1.8265537079850043
Energy: 0.8658532387852572
Energy: 0.8649268288636175
Energy: 0.8653713661424047
Energy: 1.8370796698587142
Energy: 0.8653713661424047
Energy: 0.8657498904463363
Energy: 0.8656240004687024
Energy: 1.7109627260017126
Energy: 0.8656240004674787
Energy: 0.9489617581338309
Energy: 0.8655231558701303
Energy: 1.8296372097551767
Energy: 0.8655231558689066
Energy: 0.9640919055439986
Energy: 0.8654239889910046
Energy: 1.8336859256939626
Energy: 0.8654239889922283
Energy: 0.9641588233781634
Energy: 0.8649799188348692
Energy: 1.7159938453899013
Energy: 0.8649799188336456
Energy: 0.9711436349665341
Energy: 0.8652786511112005
Energy: 1.5069412760297516
Energy: 0.8652786511124242
Energy: 1.3194148863735677
Energy: 0.8655102608473372
Energy: 1.7165084359567904
Energy: 0.8655102608473372
Energy: 1.319621665828102
Energy: 0.8653203200992095
Energy: 1.7160766971666628
Energy: 0.8653203201004329
Energy: 1.3187030730031537
Energy: 0.9320392811157807
Energy: 1.3201995051539581
Energy: 0.932039281114557
Energy: 1.3179795472357196
Energy: 1.0257193310785602
Energy: 1.318676970403684
Energy: 1.0257193310785602
Energy: 1.715933601126683
Energy: 0.8655666583500262
Energy: 1.3178899977282394
Energy: 0.8655666583488025
Energy: 1.6006773247818908
Energy: 0.8652378428579841
Energy: 1.3262895552749576
Energy: 0.8652378428592078
Energy: 1.5996473823547668
Energy: 0.8653131478644523
Energy: 0.9643450064217862
Energy: 0.8653131478632288
Energy: 1.7165076561750772
Energy: 0.8654768294358481
Energy: 0.9903737925819146
Energy: 0.8654768294358481
Energy: 1.8338292462517058
Energy: 0.8658466973589843
Energy: 0.9514047623969922
Energy: 0.8658466973577607
Energy: 1.8203468886236127
Energy: 0.866159040859539
Energy: 0.9490850185511596
Energy: 0.8661590408607626

minimum gb energy = 0.8649268288636175 eV
minimum distance =  2.33863274726323 Angstroms
sigma value = 1


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

Energy: 2.354119997774909
Energy: 0.938262899967836
Energy: 0.8995157643227357
Energy: 1.0752164045544217
Energy: 1.7555211643159032
Energy: 0.8990153182350765
Energy: 0.8989353767686562
Energy: 0.8990153182364716
Energy: 1.7541325453216159
Energy: 0.8985043244594715
Energy: 0.8978390528412425
Energy: 0.8985043244594715
Energy: 1.7558971664635525
Energy: 0.8986318054296549
Energy: 0.8991474818179822
Energy: 0.8986318054296549
Energy: 1.51763009685604
Energy: 0.898828038829889
Energy: 1.0946319423081046
Energy: 0.898828038829889
Energy: 1.7563088703962684
Energy: 0.8984520834636542
Energy: 1.0935811493046854
Energy: 0.8984520834622589
Energy: 1.7556961862597187
Energy: 0.8986306708585792
Energy: 1.1096599682439197
Energy: 0.8986306708599744
Energy: 1.5208866146227078
Energy: 0.9010629442645232
Energy: 1.1086444872558099
Energy: 0.9010629442631279
Energy: 1.5199725859425508
Energy: 0.9778147568956951
Energy: 1.3590893098042758
Energy: 0.9778147568956951
Energy: 1.519992952021649
Energy: 0.9786666317419319
Energy: 1.5192213945818651
Energy: 0.9786666317419319
Energy: 1.5194454200966088
Energy: 0.9783686569543613
Energy: 1.290880621232761
Energy: 0.9783686569543613
Energy: 1.1092772731368676
Energy: 0.900645938510461
Energy: 1.2926412120394508
Energy: 0.900645938510461
Energy: 1.1095514066951642
Energy: 0.8985915129421538
Energy: 1.5200004253990766
Energy: 0.8985915129421538
Energy: 1.0945526654120792
Energy: 0.8988975460169291
Energy: 1.756040390656396
Energy: 0.8988975460169291
Energy: 1.0943768940663277
Energy: 0.8992579128783
Energy: 1.7377395026035463
Energy: 0.8992579128769047
Energy: 0.8984390646044379
Energy: 0.8985078234159071
Energy: 1.7376350498108626
Energy: 0.8985078234159071
Energy: 0.898254880418209
Energy: 0.8984938864831591
Energy: 1.7552586295238424
Energy: 0.898493886481764
Energy: 0.8986140216363615
Energy: 0.8991113982567202
Energy: 1.7571536258159248
Energy: 0.8991113982567202
Energy: 0.8985469177313244
Energy: 0.8990736042665904
Energy: 1.5162958657525045
Energy: 0.8990736042679858
Energy: 1.094056812478475
Energy: 0.89837140327471
Energy: 1.7555597678351766
Energy: 0.89837140327471
Energy: 1.108685105635913
Energy: 0.8984049308972748
Energy: 1.7541717295712291
Energy: 0.8984049308972748
Energy: 1.1088541291636704
Energy: 0.9000325106352011
Energy: 1.5192608835939363
Energy: 0.9000325106352011
Energy: 1.1088662651908574
Energy: 0.9780390168724994
Energy: 1.5201163247433793
Energy: 0.9780390168724994
Energy: 1.5200848478660642
Energy: 0.9783449146568882
Energy: 1.5195310093221597
Energy: 0.9783449146568882
Energy: 1.2912415345047297
Energy: 0.9790976336452875
Energy: 1.5198094557853452
Energy: 0.9790976336452875
Energy: 1.291214684406706
Energy: 0.899269431134675
Energy: 1.0954372575610278
Energy: 0.899269431134675
Energy: 1.5200809904571568
Energy: 0.8988031047975574
Energy: 1.1087893378729323
Energy: 0.8988031047961622
Energy: 1.7556897231938473
Energy: 0.8981728527920678
Energy: 1.0964643442127806
Energy: 0.8981728527934629
Energy: 1.7378467900514112
Energy: 0.898703039771744
Energy: 1.0945016175526265
Energy: 0.898703039771744

minimum gb energy = 0.8978390528412425 eV
minimum distance =  2.34223074699017 Angstroms
sigma value = 25


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

Energy: 2.2116144698820874
Energy: 0.9604253240119612
Energy: 0.960308448754988
Energy: 1.0745919978981076
Energy: 1.6528734523717712
Energy: 0.9602549535637698
Energy: 0.9606779515538059
Energy: 0.9602549535637698
Energy: 1.653150475987155
Energy: 0.9596578422012472
Energy: 0.9594536851817071
Energy: 0.9596578422012472
Energy: 1.653107348950791
Energy: 0.9601822604932416
Energy: 0.9600345256978522
Energy: 0.9601822604932416
Energy: 1.5305684197977043
Energy: 0.9753903623936765
Energy: 1.2661964644653712
Energy: 0.9753903623936765
Energy: 1.6526875529188179
Energy: 0.9599761556378679
Energy: 1.2850306232547217
Energy: 0.9599761556378679
Energy: 1.6528644092973965
Energy: 1.0451282888325633
Energy: 1.3188803404430889
Energy: 1.0451282888325633
Energy: 1.3208190986634007
Energy: 1.0439295184012438
Energy: 1.3152439272822123
Energy: 1.043929518399622
Energy: 1.316362527162473
Energy: 1.044844743570176
Energy: 1.4476991940428015
Energy: 1.044844743570176
Energy: 1.285926391396012
Energy: 0.9776810288006385
Energy: 1.6524229073670194
Energy: 0.9776810288022602
Energy: 1.2965982256603965
Energy: 0.9855278030602199
Energy: 1.6497782207479321
Energy: 0.9855278030602199
Energy: 0.9595658421171237
Energy: 0.9600042128921404
Energy: 1.6488819066602374
Energy: 0.9600042128905187
Energy: 0.9588550759737023
Energy: 0.9594704013999364
Energy: 1.6520373307793086
Energy: 0.9594704013999364
Energy: 0.9600028931321986
Energy: 0.9750366479505362
Energy: 1.6527446829539134
Energy: 0.9750366479505362
Energy: 0.9592644704183909
Energy: 0.9620599645413721
Energy: 1.5292887710700651
Energy: 0.9620599645413721
Energy: 1.0746735606494686
Energy: 0.9599919287209202
Energy: 1.6501143525619113
Energy: 0.9599919287209202
Energy: 1.093710136711841
Energy: 0.9594293595347123
Energy: 1.6555769468354051
Energy: 0.9594293595363341
Energy: 1.0930540043944061
Energy: 0.9599759836477763
Energy: 1.5280097400389114
Energy: 0.9599759836477763
Energy: 1.1212839713565266
Energy: 0.959801731743578
Energy: 1.3166447224075086
Energy: 0.959801731743578
Energy: 1.5281030675249292
Energy: 1.0486313043319202
Energy: 1.5270452263358587
Energy: 1.0486313043319202
Energy: 1.4105509449548665
Energy: 1.048350817280692
Energy: 1.5284147981445755
Energy: 1.048350817280692
Energy: 1.4101126207256023
Energy: 0.9598211555121797
Energy: 1.0928696235924125
Energy: 0.9598211555121797
Energy: 1.5269972238033327
Energy: 0.9599253910381036
Energy: 1.0931020224183958
Energy: 0.9599253910381036
Energy: 1.6547457984232707
Energy: 0.9594237779167566
Energy: 1.088685156612142
Energy: 0.9594237779167566
Energy: 1.6476510486287883
Energy: 0.9601044121575211
Energy: 1.0622036911528614
Energy: 0.9601044121575211

minimum gb energy = 0.9588550759737023 eV
minimum distance =  2.32603761255835 Angstroms
sigma value = 9


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

Energy: 1.9592655749934682
Energy: 0.9894757668603753
Energy: 0.9896351523823567
Energy: 1.1654689518419084
Energy: 1.5300176730955435
Energy: 0.9888894517124948
Energy: 0.989853366988284
Energy: 0.9888894517119011
Energy: 1.5296908919615642
Energy: 0.9894271895256155
Energy: 0.9899532294035781
Energy: 0.9894271895238788
Energy: 1.5296851825331363
Energy: 0.9893750479303324
Energy: 0.9902217748419193
Energy: 0.9893750479314976
Energy: 1.2699823540566275
Energy: 0.9908569130050326
Energy: 1.242034452129529
Energy: 0.9908569130052305
Energy: 1.5298237406157118
Energy: 1.0592906663928232
Energy: 1.2431801194340615
Energy: 1.0592906663928232
Energy: 1.5282164515908088
Energy: 1.1053551990522157
Energy: 0.9740601935422023
Energy: 1.1053551990527872
Energy: 1.3286293704925534
Energy: 1.1041106902216304
Energy: 1.2794202482050263
Energy: 1.104110690222422
Energy: 1.2801411454586193
Energy: 1.1050294932320477
Energy: 1.5299782822171697
Energy: 1.1050294932320477
Energy: 1.327423693948266
Energy: 0.9893018942401222
Energy: 1.5282441292687337
Energy: 0.9893018942407158
Energy: 1.2422548267697422
Energy: 0.9902628031594423
Energy: 1.4965176466268968
Energy: 0.990262803159618
Energy: 0.9898259869619042
Energy: 0.9897165091122013
Energy: 1.4973483411607644
Energy: 0.9897165091178077
Energy: 0.9915183445783091
Energy: 0.9894222781710779
Energy: 1.529429499889846
Energy: 0.9894222781710779
Energy: 0.9893728783710777
Energy: 0.9895082257817532
Energy: 1.5298169725549742
Energy: 0.9895082257819511
Energy: 0.9896801099240954
Energy: 0.9934865740020107
Energy: 1.26997272974739
Energy: 0.9934865740021867
Energy: 1.243104487636217
Energy: 1.0596301932295347
Energy: 1.5276323796714402
Energy: 1.0596301932297325
Energy: 0.9741815217387428
Energy: 0.9898015402708099
Energy: 1.530151162160455
Energy: 0.9898015402698427
Energy: 0.9743626459200313
Energy: 1.1052675667109397
Energy: 1.3281489841781022
Energy: 1.1052675667107417
Energy: 1.280058273470411
Energy: 1.104852469979688
Energy: 1.279251316682297
Energy: 1.1048524699798858
Energy: 1.5296579803350905
Energy: 0.9908978837753513
Energy: 1.3289952740469462
Energy: 0.9908978837751534
Energy: 1.4967739421162678
Energy: 0.9898902390915447
Energy: 1.240801303430864
Energy: 0.9898902390917426

minimum gb energy = 0.9740601935422023 eV
minimum distance =  2.32128925713652 Angstroms
sigma value = 25


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

Energy: 1.7078562719615822
Energy: 1.1148047358722275
Energy: 1.0898639224094833
Energy: 1.1115769246155254
Energy: 1.3944050532358705
Energy: 1.1202291431896412
Energy: 1.1969906874455927
Energy: 1.1202291431896412
Energy: 1.3470943226143235
Energy: 1.0875389176176633
Energy: 1.0872032653494355
Energy: 1.0875389176188597
Energy: 1.394913383590768
Energy: 1.1055472760610054
Energy: 1.1053533924416021
Energy: 1.1055472760607608
Energy: 1.2780944718151024
Energy: 1.1281206757315696
Energy: 1.3458477436472736
Energy: 1.1281206757323037
Energy: 1.34643540279339
Energy: 1.1565182887971424
Energy: 1.3468412757611283
Energy: 1.1565182887973873
Energy: 1.3454737031271564
Energy: 1.127919184117353
Energy: 1.4150866532458417
Energy: 1.1279191841164016
Energy: 1.0874066726223623
Energy: 1.0884313719627152
Energy: 1.417126244875495
Energy: 1.0884313719629326
Energy: 1.0867878590961124
Energy: 1.0876604441866857
Energy: 1.395357306773818
Energy: 1.0876604441873927
Energy: 1.1932591775156647
Energy: 1.1200297456282908
Energy: 1.3950354169984045
Energy: 1.1200297456287802
Energy: 1.1042300855410123
Energy: 1.0886811550982507
Energy: 1.390677046652766
Energy: 1.0886811550977884
Energy: 1.2310235226090427
Energy: 1.1197457954584238
Energy: 1.390731632999025
Energy: 1.119745795458179
Energy: 1.2817176415789642
Energy: 1.0875804586502473
Energy: 1.3952159453079447
Energy: 1.087580458650954
Energy: 1.2813460690676088
Energy: 1.087956206885451
Energy: 1.2834767357679246
Energy: 1.087956206885451
Energy: 1.3116324790690652
Energy: 1.0876473879782094
Energy: 1.2820606754422266
Energy: 1.0876473879786712
Energy: 1.3929892796762782
Energy: 1.0877552735752158
Energy: 1.3411486234426166
Energy: 1.0877552735754605
Energy: 1.3367752469693666
Energy: 1.0879018003154781
Energy: 1.2298956580531482
Energy: 1.0879018003152332

minimum gb energy = 1.0867878590961124 eV
minimum distance =  2.30054654747083 Angstroms
sigma value = 17


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

Energy: 1.5861081495742406
Energy: 1.151839510999839
Energy: 1.1510723606622109
Energy: 1.141074487289656
Energy: 1.3443804846097045
Energy: 1.2440255138589926
Energy: 1.2769325354136278
Energy: 1.2440255138589926
Energy: 1.3585332989034422
Energy: 1.1495601369354502
Energy: 1.1500857034316945
Energy: 1.1495601369354502
Energy: 1.347145263263711
Energy: 1.1539482835196808
Energy: 1.1547919758800187
Energy: 1.1539482835183257
Energy: 1.3414997501637351
Energy: 1.189859672330364
Energy: 1.3434539174432734
Energy: 1.189859672330364
Energy: 1.3576197152622214
Energy: 1.1247927437210818
Energy: 1.3451216898438587
Energy: 1.1247927437210818
Energy: 1.2699069667451262
Energy: 1.1248698552914722
Energy: 1.3373949304663213
Energy: 1.1248698552928273
Energy: 1.1664938852695863
Energy: 1.170358667147596
Energy: 1.367235540907195
Energy: 1.170358667147596
Energy: 1.1404465856940613
Energy: 1.1239714072295868
Energy: 1.3560003373542275
Energy: 1.1239714072282316
Energy: 1.1454309599488242
Energy: 1.1399541559146853
Energy: 1.356652093339497
Energy: 1.1399541559160404
Energy: 1.1525984267753608
Energy: 1.126557642710936
Energy: 1.3386275253081166
Energy: 1.126557642710936
Energy: 1.3495343651074228
Energy: 1.1464239603612327
Energy: 1.35625873522881
Energy: 1.1464239603625879
Energy: 1.340786649517674
Energy: 1.1467836587873257
Energy: 1.3478571528345524
Energy: 1.1467836587886808
Energy: 1.3406330457634592
Energy: 1.1245524294894411
Energy: 1.1518388494313672
Energy: 1.1245524294907963
Energy: 1.3564936377044154
Energy: 1.1239025559690676
Energy: 1.1449549301720838
Energy: 1.1239025559690676
Energy: 1.344739208146723
Energy: 1.1244769772121523
Energy: 1.1530611628472947
Energy: 1.1244769772121523
Energy: 1.358268409025847
Energy: 1.1243945668335642
Energy: 1.1240006776010631
Energy: 1.1243945668335642
Energy: 1.3587035718953469
Energy: 1.1255525214080584
Energy: 1.3121782370799828
Energy: 1.1255525214080584
Energy: 1.3451117204927605
Energy: 1.124922187296314
Energy: 1.344610061995714
Energy: 1.124922187296314
Energy: 1.1527467741795394
Energy: 1.189506059305521
Energy: 1.3272058989038882
Energy: 1.189506059305521
Energy: 1.15354819991492
Energy: 1.1544380789109667
Energy: 1.3434715406016604
Energy: 1.1544380789109667
Energy: 1.1510084855634957
Energy: 1.1502356326921452
Energy: 1.344206533110035
Energy: 1.15023563269079
Energy: 1.2086333634016917
Energy: 1.2084192116507428
Energy: 1.3522241958105714
Energy: 1.208419211652098
Energy: 1.2194277488780534
Energy: 1.1510223548814253
Energy: 1.3571329390663218
Energy: 1.1510223548827805
Energy: 1.2901219504330375
Energy: 1.1505678987718118
Energy: 1.3441766572329321
Energy: 1.1505678987704564
Energy: 1.2538810854370854
Energy: 1.1503072709538547
Energy: 1.3454849353592648
Energy: 1.1503072709538547
Energy: 1.2684544526746826
Energy: 1.1499517986030914
Energy: 1.257595648482506
Energy: 1.1499517986030914
Energy: 1.3587398705265374
Energy: 1.150132174213461
Energy: 1.2543082354723494
Energy: 1.150132174213461
Energy: 1.3444688480046245
Energy: 1.1498947533425203
Energy: 1.37943649280827
Energy: 1.1498947533425203
Energy: 1.3645616601316317
Energy: 1.1509204033902587
Energy: 1.2083187243096265
Energy: 1.1509204033902587

minimum gb energy = 1.1239025559690676 eV
minimum distance =  2.28840961587887 Angstroms
sigma value = 53


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

Energy: 1.0888214385023331
Energy: 1.1478581548834281
Energy: 1.1261695097736242
Energy: 1.0941452029583116
Energy: 1.126056633269378
Energy: 1.1484985596687163
Energy: 1.1832921454175365
Energy: 1.1484985596689998
Energy: 1.2688559312722143
Energy: 1.1322790822217474
Energy: 1.1817473649215415
Energy: 1.1322790822217474
Energy: 1.2720815439002386
Energy: 1.1866737630158959
Energy: 1.2697952408550548
Energy: 1.186673763016215
Energy: 1.26301872600214
Energy: 1.1510562857822437
Energy: 1.1815188633011393
Energy: 1.1510562857822437
Energy: 1.269320609876445
Energy: 1.1491477246091029
Energy: 1.2761704959769742
Energy: 1.1491477246085002
Energy: 1.2674471829525975
Energy: 1.1272519226869053
Energy: 1.0920455037358847
Energy: 1.1272519226865862
Energy: 1.1814147394060472
Energy: 1.1505721300591756
Energy: 1.0923094994489166
Energy: 1.1505721300588918
Energy: 1.1813391414727765
Energy: 1.1506192718393304
Energy: 1.268082465898773
Energy: 1.1506192718393304
Energy: 1.18219270938903
Energy: 1.1316571100289026
Energy: 1.2722173936250456
Energy: 1.1316571100289026
Energy: 1.1822284817186448
Energy: 1.1458389423244115
Energy: 1.263008623051473
Energy: 1.1458389423244115
Energy: 1.271234052105307
Energy: 1.1864475834103103
Energy: 1.2683365915486842
Energy: 1.1864475834103103
Energy: 1.0922893485375136
Energy: 1.1294672968967299
Energy: 1.2684165467947035
Energy: 1.1294672968967299

minimum gb energy = 1.0888214385023331 eV
minimum distance =  2.30557583275032 Angstroms
sigma value = 9


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

Energy: 1.671216447805265
Energy: 1.33188875042334
Energy: 1.3410460091223873
Energy: 1.312307387058436
Energy: 1.3828113976101728
Energy: 1.3189217246592755
Energy: 1.3972870548564906
Energy: 1.3189217246604301
Energy: 1.357018409892899
Energy: 1.2818316004930312
Energy: 1.2837378472708347
Energy: 1.2818316004918766
Energy: 1.2839980511082223
Energy: 1.2778355557746868
Energy: 1.2822769385755346
Energy: 1.2778355557746868
Energy: 1.2822422725215372
Energy: 1.276535852559623
Energy: 1.3206597578879982
Energy: 1.276535852559623
Energy: 1.3861218931047643
Energy: 1.3104086997693614
Energy: 1.369921686083973
Energy: 1.3104086997682067
Energy: 1.3984962618114367
Energy: 1.3882807629515688
Energy: 1.538310695657315
Energy: 1.3882807629515688
Energy: 1.4945817938617012
Energy: 1.3989226412576565
Energy: 1.5385945509420575
Energy: 1.3989226412588112
Energy: 1.4573981723106233
Energy: 1.2075630013055394
Energy: 1.377114690833092
Energy: 1.2075630013066938
Energy: 1.3461190489837485
Energy: 1.2921884110531774
Energy: 1.2076050925299495
Energy: 1.2921884110543322
Energy: 1.4585910838744955
Energy: 1.2084305522977672
Energy: 1.2054419824793803
Energy: 1.2084305522977672
Energy: 1.4131930666843144
Energy: 1.3022090959599122
Energy: 1.2896925636765466
Energy: 1.3022090959610666
Energy: 1.5395943615357097
Energy: 1.2884247033062122
Energy: 1.288295991019156
Energy: 1.2884247033050575
Energy: 1.538909688277335
Energy: 1.2888581906907752
Energy: 1.4889366846350036
Energy: 1.2888581906896204
Energy: 1.4380600808657473
Energy: 1.2050076448550096
Energy: 1.4878037144522922
Energy: 1.2050076448550096
Energy: 1.3135346342100482
Energy: 1.219047775006076
Energy: 1.5043189410547573
Energy: 1.2190477750072308
Energy: 1.2045815986844588
Energy: 1.2051502186281189
Energy: 1.5617893551271975
Energy: 1.2051502186292737
Energy: 1.2481452995323665
Energy: 1.3202488018364122
Energy: 1.5080173028418375
Energy: 1.3202488018375667
Energy: 1.2315185405339177
Energy: 1.231351519442577
Energy: 1.4854414742151503
Energy: 1.231351519442577
Energy: 1.3313486962278567
Energy: 1.2528634414149136
Energy: 1.5574473559973963
Energy: 1.252863441416068
Energy: 1.4538732131510625
Energy: 1.240152193710203
Energy: 1.4533718346589364
Energy: 1.2401521937090483
Energy: 1.4808288333840123
Energy: 1.2316557782188207
Energy: 1.4524089190715004
Energy: 1.2316557782188207
Energy: 1.481653155903236
Energy: 1.2316385211193894
Energy: 1.2311055094171106
Energy: 1.2316385211182346
Energy: 1.4863485565623173
Energy: 1.2528425528907001
Energy: 1.231813992585281
Energy: 1.2528425528895455
Energy: 1.5033139686214003
Energy: 1.2053102166341783
Energy: 1.2035356160271669
Energy: 1.2053102166341783
Energy: 1.4293783528485131
Energy: 1.2057064126040016
Energy: 1.2056732397888346
Energy: 1.205706412605156
Energy: 1.5055742100067968
Energy: 1.205107431536217
Energy: 1.4385324406699576
Energy: 1.2051074315373718
Energy: 1.4875850502084453
Energy: 1.2903826960998603
Energy: 1.483132905919404
Energy: 1.290382696101015
Energy: 1.2877330127540523
Energy: 1.2860611900262608
Energy: 1.4780764179672112
Energy: 1.2860611900297247
Energy: 1.287275989959934
Energy: 1.3226596917128244
Energy: 1.4741453384923426
Energy: 1.3226596917139792
Energy: 1.2075739160046326
Energy: 1.2106835281456354
Energy: 1.4712735242582031
Energy: 1.2106835281467374
Energy: 1.2078675373035241
Energy: 1.2090405899261596
Energy: 1.4303094561290401
Energy: 1.2090405899250047
Energy: 1.2074783195936214
Energy: 1.291756520704473
Energy: 1.4301783391908178
Energy: 1.2917565207056276
Energy: 1.3827945353836908
Energy: 1.310048834770888
Energy: 1.4839975201485758
Energy: 1.310048834770888
Energy: 1.4775597058149368
Energy: 1.410867592856975
Energy: 1.4126571257182496
Energy: 1.41086759285582

minimum gb energy = 1.2035356160271669 eV
minimum distance =  2.27008286051489 Angstroms
sigma value = 73


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

Energy: 1.6967129703321053
Energy: 1.3660479164592727
Energy: 1.3742560156137118
Energy: 1.3386895889616748
Energy: 1.4163872573548228
Energy: 1.3072981083531
Energy: 1.3889703823613413
Energy: 1.3072981083534538
Energy: 1.3050930909091627
Energy: 1.2739706281416843
Energy: 1.304859811064847
Energy: 1.273970628141122
Energy: 1.3058757091416486
Energy: 1.2749064812385522
Energy: 1.3017356207016741
Energy: 1.274906481238927
Energy: 1.3000099872372317
Energy: 1.288327201141679
Energy: 1.3324002740170282
Energy: 1.2883272011418663
Energy: 1.3734779935176082
Energy: 1.3192806873941751
Energy: 1.4165320225245932
Energy: 1.3192806873945289
Energy: 1.3873438642821405
Energy: 1.3724775376032292
Energy: 1.5504687955985892
Energy: 1.3724775376036038
Energy: 1.5370166653636794
Energy: 1.3868820984119925
Energy: 1.5505339033462908
Energy: 1.3868820984167598
Energy: 1.5119398951096912
Energy: 1.1966827816351235
Energy: 1.41626628922076
Energy: 1.1966827816351235
Energy: 1.3972249271449457
Energy: 1.1953599774516017
Energy: 1.19703972422684
Energy: 1.195359977451789
Energy: 1.5166784597915723
Energy: 1.1951539780627152
Energy: 1.1921190249672713
Energy: 1.1951539780627152
Energy: 1.4840669613839295
Energy: 1.2725495618752898
Energy: 1.2317404829128322
Energy: 1.2725495618760392
Energy: 1.509441324168494
Energy: 1.2319258514451987
Energy: 1.2318825500825679
Energy: 1.231925851445386
Energy: 1.509170161721416
Energy: 1.2327685087746885
Energy: 1.4709432032042864
Energy: 1.2327685087750633
Energy: 1.529936089605233
Energy: 1.2226430985133487
Energy: 1.5300036995684672
Energy: 1.2226430985128076
Energy: 1.4322967484838591
Energy: 1.2326977379074024
Energy: 1.600696285264289
Energy: 1.2326977379066737
Energy: 1.2317380043684691
Energy: 1.2317309589751029
Energy: 1.601152492092099
Energy: 1.231730958974187
Energy: 1.2500890047018596
Energy: 1.3110973159837114
Energy: 1.453561515352239
Energy: 1.3110973159835242
Energy: 1.1946140935077194
Energy: 1.1969827918370937
Energy: 1.52899620783259
Energy: 1.1969827918365523
Energy: 1.1967097076176374
Energy: 1.195512190808124
Energy: 1.5184338140877631
Energy: 1.1955121908077702
Energy: 1.4160496403018978
Energy: 1.1958115965713292
Energy: 1.5268423210813193
Energy: 1.1958115965711418
Energy: 1.5982078358987981
Energy: 1.410620447914697
Energy: 1.5371452285242502
Energy: 1.410620447913781

minimum gb energy = 1.1921190249672713 eV
minimum distance =  2.26191387725181 Angstroms
sigma value = 7


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

Energy: 2.350685032269778
Energy: 1.3725275201654057
Energy: 1.3553395457380728
Energy: 1.274225945614259
Energy: 1.5145531015124754
Energy: 1.2668167849456757
Energy: 1.3990152172196717
Energy: 1.2668167849456757
Energy: 1.4252478161161204
Energy: 1.242031260273859
Energy: 1.3237275004012796
Energy: 1.2420312602751544
Energy: 1.3239707144607797
Energy: 1.242175867291383
Energy: 1.3190248894533505
Energy: 1.242175867291383
Energy: 1.3192268714090374
Energy: 1.2450277150299731
Energy: 1.3251895546357915
Energy: 1.2450277150312683
Energy: 1.3681608860972094
Energy: 1.2652752428983847
Energy: 1.4257065838388994
Energy: 1.2652752428983847
Energy: 1.4013272755013222
Energy: 1.3717688625528492
Energy: 1.5650212912247468
Energy: 1.3717688625528492
Energy: 1.6062764295947343
Energy: 1.3717659563285762
Energy: 1.5673141238340822
Energy: 1.3717659563285762
Energy: 1.570684995211744
Energy: 1.2112800442371259
Energy: 1.5137619213379558
Energy: 1.2112800442371259
Energy: 1.4508941605433905
Energy: 1.2145895977546148
Energy: 1.2115960582048044
Energy: 1.2145895977546148
Energy: 1.5693862249543464
Energy: 1.2110815900315803
Energy: 1.2073147396636048
Energy: 1.2110815900315803
Energy: 1.5072749080194074
Energy: 1.2076602844019544
Energy: 1.2111869649774967
Energy: 1.2076602844019544
Energy: 1.571396889684358
Energy: 1.2114027601732567
Energy: 1.2115949867790847
Energy: 1.2114027601732567
Energy: 1.57065669727814
Energy: 1.2123689787863245
Energy: 1.214199904741564
Energy: 1.2123689787863245
Energy: 1.6084692215425924
Energy: 1.2659502932983868
Energy: 1.5143375355433748
Energy: 1.2659502932983868
Energy: 1.590516405359164
Energy: 1.4170688828228184
Energy: 1.6452139290360712
Energy: 1.4170688828228184
Energy: 1.4010208468694945
Energy: 1.2677001436893436
Energy: 1.6461771828143599
Energy: 1.2677001436893436
Energy: 1.3532833239973554
Energy: 1.2458143056438362
Energy: 1.4259037399532044
Energy: 1.2458143056438362
Energy: 1.3211636241405695
Energy: 1.2448267632139378
Energy: 1.3252776640629584
Energy: 1.2448267632139378
Energy: 1.3243022582528405
Energy: 1.2467571987985089
Energy: 1.32314695764299
Energy: 1.2467571987972135
Energy: 1.4261929909833524
Energy: 1.2455832193981693
Energy: 1.3701234771141322
Energy: 1.2455832193968737
Energy: 1.5664149747388116
Energy: 1.4009558030740368
Energy: 1.4020008608232848
Energy: 1.4009558030740368
Energy: 1.565471876272476
Energy: 1.4013915331639273
Energy: 1.6095605531958488
Energy: 1.4013915331639273
Energy: 1.5141683148943907
Energy: 1.2106712800603
Energy: 1.5846013979759594
Energy: 1.2106712800603
Energy: 1.4039562773980614
Energy: 1.214360088962935
Energy: 1.4513221345723752
Energy: 1.2143600889616395
Energy: 1.2087935974352637
Energy: 1.210932257133988
Energy: 1.4493611119107956
Energy: 1.210932257133988
Energy: 1.2044286478131183
Energy: 1.206677557672575
Energy: 1.5035111009343953
Energy: 1.206677557672575
Energy: 1.2090466067983068
Energy: 1.211053278878059
Energy: 1.5713972687170756
Energy: 1.211053278878059
Energy: 1.211720846177027
Energy: 1.21423371870585
Energy: 1.5707452300901632
Energy: 1.21423371870585
Energy: 1.5144269687364014
Energy: 1.2109032448656583
Energy: 1.5849353618871982
Energy: 1.2109032448656583
Energy: 1.6450993233230211
Energy: 1.267193218685666
Energy: 1.5880393266615138
Energy: 1.2671932186869617

minimum gb energy = 1.2044286478131183 eV
minimum distance =  2.28014994006589 Angstroms
sigma value = 29


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

Energy: 1.644797346735213
Energy: 1.2749089282810169
Energy: 1.2753523379965865
Energy: 1.091351690187396
Energy: 1.2735931733768082
Energy: 1.1453383723493593
Energy: 1.2710317815417496
Energy: 1.1453383723502364
Energy: 1.2776516581872503
Energy: 1.1465810904289442
Energy: 1.2737431993238673
Energy: 1.1465810904284928
Energy: 1.2727149805919342
Energy: 1.1442299087169507
Energy: 1.0627445281540422
Energy: 1.1442299087173768
Energy: 1.2739948032023216
Energy: 1.1432273098534116
Energy: 1.3087569510472075
Energy: 1.1432273098538377
Energy: 1.2657934649926825
Energy: 1.1437517837288047
Energy: 1.3092022474768015
Energy: 1.143751783729256
Energy: 1.333396432755407
Energy: 1.3285765245416434
Energy: 1.2622705813556052
Energy: 1.3285765245416434
Energy: 1.3250729361169453
Energy: 1.1461237072374821
Energy: 1.3338146668646207
Energy: 1.1461237072374821
Energy: 1.4475811014071627
Energy: 1.1453902532797016
Energy: 1.3097284776886209
Energy: 1.1453902532797016

minimum gb energy = 1.0627445281540422 eV
minimum distance =  2.34196201943365 Angstroms
sigma value = 5


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

Energy: 1.6133665923111773
Energy: 1.4580734316699813
Energy: 1.385400685071614
Energy: 1.488174541450573
Energy: 1.1626479714340026
Energy: 1.1699091498213348
Energy: 1.2934422935837633
Energy: 1.1699091498225582
Energy: 1.1624280141240633
Energy: 1.16490413945617
Energy: 1.3750062173891804
Energy: 1.1649041394549464
Energy: 1.1592617449653
Energy: 1.166397399977509
Energy: 1.4083466455335014
Energy: 1.166397399977509
Energy: 1.1608454876519168
Energy: 1.1671272810501654
Energy: 1.2732504625475498
Energy: 1.1671272810501654
Energy: 1.1944336650668055
Energy: 1.2009254646605785
Energy: 1.2787649108332555
Energy: 1.2009254646593552
Energy: 1.1933321010675486
Energy: 1.2012709532676538
Energy: 1.3585697641262247
Energy: 1.2012709532676538
Energy: 1.1961551832904447
Energy: 1.1987470341189839
Energy: 1.3655396234796313
Energy: 1.1987470341202076
Energy: 1.1960895793362505
Energy: 1.2000823362556474
Energy: 1.3208835391337534
Energy: 1.200082336256871
Energy: 1.4548043033757012
Energy: 1.399241990849138
Energy: 1.4186508877972648
Energy: 1.3992419908479143
Energy: 1.2623072125499448
Energy: 1.2164471960153278
Energy: 1.3073017078660862
Energy: 1.2164471960165513
Energy: 1.4007919771437611
Energy: 1.19893150633641
Energy: 1.3383887785613986
Energy: 1.1989315063351864
Energy: 1.3767280333794583
Energy: 1.3154459240088254
Energy: 1.332226349624502
Energy: 1.3154459240088254
Energy: 1.2271600622589178
Energy: 1.200486791417883
Energy: 1.1959622763760362
Energy: 1.2004867914166593
Energy: 1.3691291322143937
Energy: 1.2001746305635748
Energy: 1.1958354966334166
Energy: 1.200174630562351
Energy: 1.3602130962349508
Energy: 1.199074732368347
Energy: 1.1956640981503597
Energy: 1.1990747323671231
Energy: 1.277053969971563
Energy: 1.2027732664874526
Energy: 1.1970607128604993
Energy: 1.202773266488676
Energy: 1.3542894324183672
Energy: 1.1649200166275404
Energy: 1.1584218984043195
Energy: 1.1649200166275404
Energy: 1.3749421667202488
Energy: 1.1962334880812584
Energy: 1.161975094301113
Energy: 1.1962334880824823
Energy: 1.449005680680612
Energy: 1.1661997854649935
Energy: 1.1621212927126967
Energy: 1.166199785466217
Energy: 1.4329038274677528
Energy: 1.2931733914326606
Energy: 1.282913115703056
Energy: 1.2931733914326606
Energy: 1.6401866438595116
Energy: 1.4036604276697364
Energy: 1.2551311535315384
Energy: 1.4036604276697364
Energy: 1.282669636159672
Energy: 1.1677668915997772
Energy: 1.1619643196719227
Energy: 1.1677668915985535
Energy: 1.3344488319772343
Energy: 1.210525608057021
Energy: 1.2685489082958623
Energy: 1.210525608057021
Energy: 1.3402684483865412
Energy: 1.165063890475168
Energy: 1.2084980485384107
Energy: 1.1650638904739443
Energy: 1.2591564756113516
Energy: 1.2191995043027624
Energy: 1.2588265092561177
Energy: 1.2191995043052095
Energy: 1.2561789594990616
Energy: 1.219415617233487
Energy: 1.2587987101504325
Energy: 1.219415617233487
Energy: 1.259482099868878
Energy: 1.2159112785478743
Energy: 1.2567087541805497
Energy: 1.215911278549098
Energy: 1.1760553104979772
Energy: 1.2179884041111138
Energy: 1.2610297751796136
Energy: 1.2179884041111138
Energy: 1.2079274703848648
Energy: 1.2091522757077147
Energy: 1.3725095594839098
Energy: 1.2091522757052675
Energy: 1.268608257137262
Energy: 1.2098731978200825
Energy: 1.3725667978717804
Energy: 1.2098731978200825
Energy: 1.162102525249852
Energy: 1.1673821378094116
Energy: 1.2908054689400223
Energy: 1.167382137808188
Energy: 1.2079502781503322
Energy: 1.5337790203710258
Energy: 1.5231127733711125
Energy: 1.5337790203722494

minimum gb energy = 1.1584218984043195 eV
minimum distance =  2.27583366725889 Angstroms
sigma value = 1


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

Energy: 1.9556284865307354
Energy: 1.3820690229606154
Energy: 1.382258816890432
Energy: 1.1058538562825533
Energy: 1.1854047432081
Energy: 1.1460702543431331
Energy: 1.1434601065870733
Energy: 1.1460702543431331
Energy: 1.1486137453542373
Energy: 1.1442118818407065
Energy: 1.2094236214587002
Energy: 1.1442118818407065
Energy: 1.1443210009459632
Energy: 1.1483865231983619
Energy: 1.1765376714657063
Energy: 1.1483865231983619
Energy: 1.1439112485265588
Energy: 1.150308699825381
Energy: 1.20938795476357
Energy: 1.150308699825381
Energy: 1.1435015400986321
Energy: 1.1497797328709776
Energy: 1.2093884342846555
Energy: 1.1497797328709776
Energy: 1.1430515849379206
Energy: 1.1497751173769826
Energy: 1.2095775385496224
Energy: 1.1497751173769826
Energy: 1.1484574235602358
Energy: 1.1447184019254228
Energy: 1.2109047352075624
Energy: 1.1447184019254228
Energy: 1.1478090044698095
Energy: 1.1850542305491043
Energy: 1.1429915890258002
Energy: 1.1850542305491043
Energy: 1.1984640705770844
Energy: 1.3958801907222005
Energy: 1.3938550917856545
Energy: 1.3958801907222005
Energy: 1.148062983945989
Energy: 1.1842517143262448
Energy: 1.1477261798366853
Energy: 1.1842517143262448
Energy: 1.1478800132283125
Energy: 1.145396311290047
Energy: 1.1759216182675218
Energy: 1.145396311290047
Energy: 1.1399248800504032
Energy: 1.1473903145520237
Energy: 1.1760651952063406
Energy: 1.1473903145520237
Energy: 1.143948065592014
Energy: 1.182909460002831
Energy: 1.1809991004257936
Energy: 1.182909460002831
Energy: 1.1765473879884347
Energy: 1.1467279870621476
Energy: 1.1483353366541902
Energy: 1.1467279870621476
Energy: 1.1765876513687943
Energy: 1.1442662170415603
Energy: 1.1472395987965927
Energy: 1.1442662170432523
Energy: 1.2079723283657027
Energy: 1.1594917768235846
Energy: 1.1831957346209547
Energy: 1.1594917768252764
Energy: 1.2090447388578698
Energy: 1.1446684211041027
Energy: 1.1469970929297957
Energy: 1.1446684211041027
Energy: 1.2108108508853275
Energy: 1.1500718123762945
Energy: 1.147572719590433
Energy: 1.1500718123762945
Energy: 1.2103138958636546
Energy: 1.1476179579558798
Energy: 1.1478331627875453
Energy: 1.1476179579558798
Energy: 1.3809259307195316
Energy: 1.1449818547849198
Energy: 1.1993286188764254
Energy: 1.1449818547849198
Energy: 1.3967143195537204
Energy: 1.3825874951324064
Energy: 1.1984966872864355
Energy: 1.3825874951324064
Energy: 1.1809611497728614
Energy: 1.182619304059412
Energy: 1.1479249252387018
Energy: 1.182619304059412
Energy: 1.1759289158579547
Energy: 1.148424837666691
Energy: 1.1477441575225402
Energy: 1.148424837666691

minimum gb energy = 1.1058538562825533 eV
minimum distance =  2.27505007615691 Angstroms
sigma value = 17


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

Energy: 1.572989693508824
Energy: 1.5961402472145234
Energy: 1.683456366193199
Energy: 1.4891532316095537
Energy: 1.14270413464941
Energy: 1.1816902850173445
Energy: 1.1765010851365174
Energy: 1.181690285016299
Energy: 1.1421086979525932
Energy: 1.1450624078502971
Energy: 1.3391327598493468
Energy: 1.145062407851343
Energy: 1.1424116822606523
Energy: 1.147287849316722
Energy: 1.3879242556458233
Energy: 1.147287849316722
Energy: 1.1440930776934533
Energy: 1.1478743637262727
Energy: 1.2322446786314902
Energy: 1.1478743637283642
Energy: 1.219976263570174
Energy: 1.1817521089726728
Energy: 1.232215457377802
Energy: 1.181752108971627
Energy: 1.2203246243361383
Energy: 1.182201796124763
Energy: 1.2192233599441438
Energy: 1.182201796124763
Energy: 1.2318858757598736
Energy: 1.1822781849059256
Energy: 1.2184018460689476
Energy: 1.1822781849090627
Energy: 1.2672844957496916
Energy: 1.1456274984259012
Energy: 1.1415997354261005
Energy: 1.1456274984279926
Energy: 1.3314249020019662
Energy: 1.1487893365523443
Energy: 1.1459434746058617
Energy: 1.1487893365523443
Energy: 1.176644442775823
Energy: 1.1467198029840096
Energy: 1.1425578572965842
Energy: 1.1467198029850552
Energy: 1.3826840029244165
Energy: 1.1780671808205185
Energy: 1.1762468321462218
Energy: 1.178067180819473
Energy: 1.4793423187349228
Energy: 1.4075932742404358
Energy: 1.1757394764159141
Energy: 1.4075932742393897
Energy: 1.1787152820074767
Energy: 1.1517747028556165
Energy: 1.1425906318580568
Energy: 1.1517747028556165
Energy: 1.3800745594901707
Energy: 1.1457700802085953
Energy: 1.2491849757630287
Energy: 1.1457700802096407
Energy: 1.1892938434200075
Energy: 1.1448437188218983
Energy: 1.1366134011304585
Energy: 1.1448437188198068
Energy: 1.1784028609342236
Energy: 1.1803852616382686
Energy: 1.2873249582537911
Energy: 1.1803852616382686
Energy: 1.1776933418590865
Energy: 1.1820392113909974
Energy: 1.3003383339632721
Energy: 1.1820392113899516
Energy: 1.182577930376558
Energy: 1.176504902392224
Energy: 1.2883684855635997
Energy: 1.17650490239327
Energy: 1.2033599872276957
Energy: 1.2263044253681625
Energy: 1.3075939349664056
Energy: 1.2263044253692084
Energy: 1.1603410695053684
Energy: 1.1631011465679797
Energy: 1.3372254334205853
Energy: 1.1631011465679797
Energy: 1.1625051291397028
Energy: 1.1641710472291091
Energy: 1.3594973930972645
Energy: 1.1641710472291091
Energy: 1.1569671656294203
Energy: 1.167454027874227
Energy: 1.1525982459398894
Energy: 1.167454027874227
Energy: 1.267281428297721
Energy: 1.3291724399593308
Energy: 1.3930940175041195
Energy: 1.3291724399593308
Energy: 1.1767509656842066
Energy: 1.1633391605121353
Energy: 1.271871405231334
Energy: 1.1633391605110897
Energy: 1.1566121756046128
Energy: 1.1644100670415265
Energy: 1.1575084905678548
Energy: 1.164410067043618
Energy: 1.4484703247973878
Energy: 1.4239632099998139
Energy: 1.1873553628845812
Energy: 1.4239632100008595
Energy: 1.1519485419767788
Energy: 1.1635656281728723
Energy: 1.1664523669199303
Energy: 1.1635656281728723
Energy: 1.3385048814446001
Energy: 1.1633722982873937
Energy: 1.157286355884636
Energy: 1.1633722982884396
Energy: 1.3241351809238902
Energy: 1.1662049412812872
Energy: 1.1558839203591955
Energy: 1.1662049412812872
Energy: 1.3054840548700717
Energy: 1.1655011697960742
Energy: 1.1564849177730365
Energy: 1.1655011697971198
Energy: 1.304000879366088
Energy: 1.1825341323915142
Energy: 1.1785651350807225
Energy: 1.1825341323915142
Energy: 1.2890301421301997
Energy: 1.1792076753980767
Energy: 1.180646151461414
Energy: 1.1792076753991225
Energy: 1.3015004377236836
Energy: 1.1770417067517056
Energy: 1.179091972978103
Energy: 1.1770417067517056
Energy: 1.141862990235175
Energy: 1.1460144210567091
Energy: 1.1788025403087181
Energy: 1.1460144210546177
Energy: 1.218021696000487
Energy: 1.2199240216298188
Energy: 1.2661594564465606
Energy: 1.2199240216308644
Energy: 1.1421029000336445
Energy: 1.1460097800276996
Energy: 1.179017776566221
Energy: 1.1460097800266538
Energy: 1.1649330404881033
Energy: 1.177940113663415
Energy: 1.2923937902862808
Energy: 1.177940113663415

minimum gb energy = 1.1366134011304585 eV
minimum distance =  2.25863898761379 Angstroms
sigma value = 89


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

Energy: 2.11672379135181
Energy: 1.36664855341579
Energy: 1.4282362188862463
Energy: 1.09603819295484
Energy: 1.164301960815549
Energy: 1.1078603815085322
Energy: 1.0949664350729391
Energy: 1.1078603815085322
Energy: 1.098900848317706
Energy: 1.1054939163953157
Energy: 1.2299497812614586
Energy: 1.1054939163947872
Energy: 1.0949743541808088
Energy: 1.1062336195042988
Energy: 1.2290116458408245
Energy: 1.1062336195045785
Energy: 1.0958288282435666
Energy: 1.11087847523403
Energy: 1.1905746181365386
Energy: 1.1108784752337502
Energy: 1.1652632903195337
Energy: 1.1100512828426878
Energy: 1.1894509498223909
Energy: 1.1100512828429674
Energy: 1.1652416313841591
Energy: 1.1097230471094701
Energy: 1.166198007735396
Energy: 1.1097230471091906
Energy: 1.1900739977147687
Energy: 1.1109525751676748
Energy: 1.1660356610393596
Energy: 1.110952575167395
Energy: 1.1827867944342756
Energy: 1.1066824265912445
Energy: 1.0939655794674585
Energy: 1.1066824265909645
Energy: 1.182943144497678
Energy: 1.1136287031718672
Energy: 1.0952199998130738
Energy: 1.1136287031715872
Energy: 1.182692107838191
Energy: 1.1054728921950716
Energy: 1.0988608809690055
Energy: 1.1054728921945118
Energy: 1.0945843593447595
Energy: 1.105242943139399
Energy: 1.1737131370090779
Energy: 1.1052429431396789
Energy: 1.376591850205436
Energy: 1.0941924081840668
Energy: 1.173190123734347
Energy: 1.0941924081837868
Energy: 1.0982818678080384
Energy: 1.1901004507320923
Energy: 1.0984608248604706
Energy: 1.1901004507315327
Energy: 1.0926905167671832
Energy: 1.1065808847667342
Energy: 1.0982464507405532
Energy: 1.106580884767014

minimum gb energy = 1.0926905167671832 eV
minimum distance =  2.26988964189762 Angstroms
sigma value = 13


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

Energy: 1.3396690053982228
Energy: 1.384415243154477
Energy: 1.38518552061939
Energy: 1.2060340834652041
Energy: 1.093648470049865
Energy: 1.098678019575157
Energy: 1.0946228448670614
Energy: 1.0986780195740102
Energy: 1.0936650603705846
Energy: 1.0946513193432734
Energy: 1.2133569171492085
Energy: 1.0946513193444203
Energy: 1.0940708752520254
Energy: 1.0942163419733626
Energy: 1.2812145356044484
Energy: 1.0942163419733626
Energy: 1.0973346799489532
Energy: 1.0994246830911563
Energy: 1.1678550539131465
Energy: 1.0994246830911563
Energy: 1.209468512209082
Energy: 1.085598248968822
Energy: 1.122881321024481
Energy: 1.0855982489676752
Energy: 1.2095057118816923
Energy: 1.0849535628904794
Energy: 1.1341804525934809
Energy: 1.084953562892773
Energy: 1.2383417317246737
Energy: 1.0850622830223513
Energy: 1.1214897105473876
Energy: 1.085062283023498
Energy: 1.2035564127571825
Energy: 1.0869150628336002
Energy: 1.1217212459900217
Energy: 1.0869150628324533
Energy: 1.2186378444201023
Energy: 1.0870934543861053
Energy: 1.1191368100031538
Energy: 1.0870934543861053
Energy: 1.2191987707618457
Energy: 1.1135184797430573
Energy: 1.1305469227019995
Energy: 1.113518479744204
Energy: 1.1059706346385008
Energy: 1.0884069453192788
Energy: 1.091641573636747
Energy: 1.088406945318132
Energy: 1.1054521044785874
Energy: 1.0884663946097126
Energy: 1.0922600144566479
Energy: 1.0884663946074191
Energy: 1.105222324992002
Energy: 1.2031213012806135
Energy: 1.0910877954134222
Energy: 1.2031213012794668
Energy: 1.091241550466365
Energy: 1.0691894475046733
Energy: 1.074202494552014
Energy: 1.0691894475035266
Energy: 1.0916814910991819
Energy: 1.0689398449722285
Energy: 1.0746111252804424
Energy: 1.0689398449722285
Energy: 1.0847949175433251
Energy: 1.1173078045070555
Energy: 1.0701251375809069
Energy: 1.1173078045082023
Energy: 1.088614776186956
Energy: 1.0752121146585734
Energy: 1.2517074085708244
Energy: 1.0752121146597202
Energy: 1.0907942765583365
Energy: 1.074659342481726
Energy: 1.0697811447472192
Energy: 1.0746593424805788
Energy: 1.2024891379869944
Energy: 1.0704852658823159
Energy: 1.069910559854501
Energy: 1.070485265881169
Energy: 1.4670029318300128
Energy: 1.2075889980058652
Energy: 1.1945920548546032
Energy: 1.2075889980081587
Energy: 1.1787628097467588
Energy: 1.0711095979858027
Energy: 1.0933300552105412
Energy: 1.0711095979846559
Energy: 1.135541511776197
Energy: 1.081075191888496
Energy: 1.1362600003259127
Energy: 1.081075191888496
Energy: 1.1357598015602497
Energy: 1.079975684334373
Energy: 1.165844320400538
Energy: 1.0799756843332262
Energy: 1.1307276518178555
Energy: 1.0853098680970266
Energy: 1.1655708381534329
Energy: 1.0853098680970266
Energy: 1.1283445265396392
Energy: 1.090474854596142
Energy: 1.2027480909321981
Energy: 1.0904748545938485
Energy: 1.1298574857147283
Energy: 1.0868976883573418
Energy: 1.2098905391018315
Energy: 1.0868976883573418
Energy: 1.131471739070028
Energy: 1.0880213932261698
Energy: 1.2122805619038712
Energy: 1.0880213932261698
Energy: 1.1701528766147233
Energy: 1.096649512457858
Energy: 1.0967086742815162
Energy: 1.0966495124590045
Energy: 1.2278747055722115
Energy: 1.0979920183518401
Energy: 1.0976017612304696
Energy: 1.0979920183506933
Energy: 1.1901196860438028
Energy: 1.103192095451613
Energy: 1.0960247602275441
Energy: 1.103192095451613
Energy: 1.0940658197789033
Energy: 1.093897467108839
Energy: 1.1155781177747564
Energy: 1.0938974671076922
Energy: 1.0933630516493913
Energy: 1.0946091953959731
Energy: 1.0907692934802544
Energy: 1.0946091953948265
Energy: 1.0935733287447633
Energy: 1.165949415311355
Energy: 1.0955578040682958
Energy: 1.1659494153125018
Energy: 1.082017074636836
Energy: 1.0974577018039355
Energy: 1.1029705513391312
Energy: 1.0974577018039355

minimum gb energy = 1.0689398449722285 eV
minimum distance =  2.26180373886216 Angstroms
sigma value = 37


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

Energy: 1.2731762346080373
Energy: 1.2676632869450897
Energy: 1.2942998854380843
Energy: 1.0350561441928492
Energy: 1.0323219116519706
Energy: 1.029773131180408
Energy: 1.0306738341261146
Energy: 1.0297731311806098
Energy: 1.0318817181616127
Energy: 1.0324953821823832
Energy: 1.0438988008104182
Energy: 1.032495382182787
Energy: 1.0310154233117006
Energy: 1.030428781530132
Energy: 1.0445294142595398
Energy: 1.03042878152993
Energy: 1.081895817063278
Energy: 1.0426078212490564
Energy: 1.0359449163794547
Energy: 1.0426078212494603
Energy: 1.1281873838066565
Energy: 1.0021336262561225
Energy: 1.035828383480455
Energy: 1.0021336262561225
Energy: 1.1002452734315793
Energy: 1.0010210514155806
Energy: 1.0361833696083846
Energy: 1.0010210514155806
Energy: 1.1304807828712014
Energy: 0.9895152884940404
Energy: 1.0361714737347838
Energy: 0.9895152884936591
Energy: 1.0746580200026563
Energy: 0.9866901021649729
Energy: 1.074586052096775
Energy: 0.9866901021645692
Energy: 1.0745674064175124
Energy: 0.9861056093653857
Energy: 1.0748790992710535
Energy: 0.9861056093657894
Energy: 1.0811901804485835
Energy: 1.0696953268832792
Energy: 1.1309261969307325
Energy: 1.0696953268830776
Energy: 1.0366352625240753
Energy: 1.0016186568766017
Energy: 1.1284505317945446
Energy: 1.0016186568770054
Energy: 1.034965124707379
Energy: 1.0017199845912625
Energy: 1.129182827598501
Energy: 1.0017199845908589
Energy: 1.0380952350529709
Energy: 1.0030857688268313
Energy: 1.0829968712347264
Energy: 1.003085768827235
Energy: 1.1535565173514322
Energy: 1.0296808726314102
Energy: 1.032404637310298
Energy: 1.0296808726312086
Energy: 1.0356886101071092
Energy: 1.0305366006436074
Energy: 1.0318424455979602
Energy: 1.0305366006436074
Energy: 1.037399715584802
Energy: 1.042753956485008
Energy: 1.032378032263426
Energy: 1.0427539564853894
Energy: 1.2688142280274048
Energy: 1.036533401455041
Energy: 1.1240654023932881
Energy: 1.036533401455041
Energy: 1.0320179920993198
Energy: 1.0319925906365162
Energy: 1.1237772874779026
Energy: 1.0319925906373009
Energy: 1.0320693670670673
Energy: 1.0297477280712428
Energy: 1.0321053836142922
Energy: 1.0297477280710408

minimum gb energy = 0.9861056093653857 eV
minimum distance =  2.28036885252511 Angstroms
sigma value = 25


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

Energy: 1.2234840786641785
Energy: 1.1659847793331062
Energy: 1.1674961224813838
Energy: 0.9614219174166824
Energy: 0.961283847554633
Energy: 0.964065630486312
Energy: 0.960737543382803
Energy: 0.964065630486312
Energy: 0.9611518980919457
Energy: 0.9599099098991765
Energy: 0.971269309311312
Energy: 0.9599099098991765
Energy: 0.9608075714410977
Energy: 0.9551983984460719
Energy: 1.0652917723775057
Energy: 0.9551983984460719
Energy: 0.9652544873280702
Energy: 0.9300884474190846
Energy: 0.9660032357323537
Energy: 0.9300884474206252
Energy: 1.0678606763964515
Energy: 0.9279509849215948
Energy: 0.9655921825892061
Energy: 0.9279509849215948
Energy: 1.0677909480193664
Energy: 0.926342567927604
Energy: 0.9664787410580428
Energy: 0.926342567927604
Energy: 1.0073395089300128
Energy: 0.9247315000634728
Energy: 1.026491928395091
Energy: 0.9247315000634728
Energy: 0.9800130999238463
Energy: 0.8997291258644622
Energy: 1.0438413998291214
Energy: 0.8997291258660028
Energy: 0.9812530611505497
Energy: 0.8999661463130179
Energy: 1.0055921236445584
Energy: 0.8999661463130179
Energy: 0.9738496366788254
Energy: 0.8934178124725055
Energy: 1.0338012205541676
Energy: 0.8934178124725055
Energy: 1.0023056462669202
Energy: 0.890675145174922
Energy: 1.0031156824247653
Energy: 0.890675145174922
Energy: 0.9866236148326265
Energy: 0.8910979365758935
Energy: 1.0027427152200907
Energy: 0.8910979365758935
Energy: 1.0356097604048107
Energy: 0.9021758388762858
Energy: 0.973555856854281
Energy: 0.9021758388762858
Energy: 1.0434672871781088
Energy: 0.9004123030095637
Energy: 0.9813288016856587
Energy: 0.9004123030080229
Energy: 1.0269301342306116
Energy: 0.9006307017205505
Energy: 0.9804964003255627
Energy: 0.9006307017205505
Energy: 0.966018195061009
Energy: 0.9282462704533258
Energy: 1.0069593157319081
Energy: 0.9282462704533258
Energy: 0.968744755019487
Energy: 0.9266767402622441
Energy: 0.969767645836346
Energy: 0.9266767402622441
Energy: 0.9657797248155654
Energy: 0.9301728665072695
Energy: 1.0294626784571517
Energy: 0.9301728665072695
Energy: 0.965522163236644
Energy: 0.9639914038713077
Energy: 0.9607749837044833
Energy: 0.9639914038713077
Energy: 1.17823235846227
Energy: 0.9568868619357429
Energy: 0.9612861237879217
Energy: 0.9568868619357429
Energy: 0.9657725048389587
Energy: 0.958770254524635
Energy: 0.9612890529238045
Energy: 0.958770254524635
Energy: 0.9658671322302244
Energy: 0.9612371838679472
Energy: 0.9618843729931564
Energy: 0.9612371838679472
Energy: 0.9632672365307796
Energy: 0.9592483116003587
Energy: 0.9596180669236446
Energy: 0.9592483115988181
Energy: 0.9611841762496401
Energy: 0.9607144024707954
Energy: 0.9610509309132302
Energy: 0.9607144024707954
Energy: 0.969643129211032
Energy: 0.956195708597791
Energy: 0.9613523240455424
Energy: 0.9561957085962502

minimum gb energy = 0.890675145174922 eV
minimum distance =  2.29170236233179 Angstroms
sigma value = 41


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

Energy: 1.1585957200095716
Energy: 1.0639614488257254
Energy: 1.0653251644584947
Energy: 0.8957262944545199
Energy: 0.8953865417303666
Energy: 0.8984198227469525
Energy: 0.9006129257896199
Energy: 0.8984198227482157
Energy: 0.8955118439140428
Energy: 0.8910681069432793
Energy: 0.9068606752270195
Energy: 0.8910681069420162
Energy: 0.8967200958851989
Energy: 0.8891902542664961
Energy: 0.8875753320021853
Energy: 0.8891902542664961
Energy: 0.9010492966996365
Energy: 0.8757097013338252
Energy: 0.9006070864040636
Energy: 0.8757097013325621
Energy: 0.8932853759358962
Energy: 0.8653650825596709
Energy: 0.9007268335285773
Energy: 0.8653650825609341
Energy: 1.0177583572822468
Energy: 0.8636984486420248
Energy: 0.902335250071946
Energy: 0.8636984486407617
Energy: 0.9349405750217616
Energy: 0.9257099836201949
Energy: 0.9754481877981344
Energy: 0.9257099836201949
Energy: 0.914066061531911
Energy: 0.8364874202684335
Energy: 0.925016264743258
Energy: 0.8364874202671704
Energy: 0.9158835790791326
Energy: 0.8368084088608759
Energy: 0.9254179535202738
Energy: 0.8368084088608759
Energy: 0.9196795054741195
Energy: 0.8212998010061877
Energy: 0.9616576387508967
Energy: 0.8212998010061877
Energy: 0.9184319268879628
Energy: 0.8207840587059616
Energy: 0.9282419886933972
Energy: 0.8207840587059616
Energy: 0.931820918162872
Energy: 0.8211267776787733
Energy: 0.9294105635914647
Energy: 0.8211267776787733
Energy: 0.9558693303014623
Energy: 0.814937276193377
Energy: 0.9041286681112961
Energy: 0.814937276193377
Energy: 0.9022839443123871
Energy: 0.8141064472448728
Energy: 0.9021720855468164
Energy: 0.814106447246136
Energy: 0.9200634251807039
Energy: 0.815363741662092
Energy: 0.947844950902235
Energy: 0.8153637416633552
Energy: 0.9030349965656924
Energy: 0.8203752158556347
Energy: 0.9557257639451537
Energy: 0.8203752158556347
Energy: 0.9251973092185206
Energy: 0.8202318937115347
Energy: 0.9091269661394431
Energy: 0.8202318937102716
Energy: 0.9395328294465155
Energy: 0.819834388580246
Energy: 0.9157231857657616
Energy: 0.819834388580246
Energy: 0.957381213289952
Energy: 0.8368516291213212
Energy: 0.9141020647336165
Energy: 0.8368516291213212
Energy: 0.9018337052812748
Energy: 0.8379708057481152
Energy: 0.915716398111813
Energy: 0.8379708057481152
Energy: 0.9113085566702938
Energy: 0.8373043965735703
Energy: 0.9147206255487017
Energy: 0.8373043965735703
Energy: 0.9019401864760798
Energy: 0.8641974196945149
Energy: 0.9379368503525083
Energy: 0.8641974196932518
Energy: 0.9010047891654422
Energy: 0.8639378642624836
Energy: 0.9112922019510785
Energy: 0.8639378642637467
Energy: 0.9008569727235679
Energy: 0.8664243826470573
Energy: 0.9011641183186496
Energy: 0.8664243826470573
Energy: 0.9127433953559158
Energy: 0.8909795432822991
Energy: 0.8969261254061028
Energy: 0.8909795432810359
Energy: 0.8988575145180623
Energy: 0.8893712796490312
Energy: 0.8956145677354826
Energy: 0.8893712796477682
Energy: 0.9008287815475601
Energy: 0.9204828840710881
Energy: 0.8957146422000792
Energy: 0.9204828840710881
Energy: 0.8978144251421049
Energy: 0.8894519701573977
Energy: 0.8953984331951655
Energy: 0.8894519701573977
Energy: 0.8954086916776979
Energy: 0.8902413534920159
Energy: 0.8956451539139988
Energy: 0.8902413534920159
Energy: 0.8953450546666007
Energy: 0.8957758434241669
Energy: 0.8957507314983925
Energy: 0.89577584342543
Energy: 0.9038839777031007
Energy: 0.8895673424514637
Energy: 0.898557415790267
Energy: 0.8895673424514637

minimum gb energy = 0.8141064472448728 eV
minimum distance =  2.29738317410419 Angstroms
sigma value = 15


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

Energy: 0.9441012318224955
Energy: 0.982136960005986
Energy: 0.9823469518421226
Energy: 0.839138747118089
Energy: 0.8384400999280595
Energy: 0.8129314910711151
Energy: 0.843374358215147
Energy: 0.8129314910721851
Energy: 0.8387975826139241
Energy: 0.8347110436128039
Energy: 0.8498279754337639
Energy: 0.8347110436128039
Energy: 0.8397092245421356
Energy: 0.8337723628381803
Energy: 0.8335854542268923
Energy: 0.8337723628360402
Energy: 0.8438743979723228
Energy: 0.8210594912937891
Energy: 0.8435397661229944
Energy: 0.821059491294859
Energy: 0.8477370976342722
Energy: 0.8124377652756415
Energy: 0.8501293086466426
Energy: 0.8124377652756415
Energy: 0.8675547598170023
Energy: 0.8119849797355682
Energy: 0.844487882608132
Energy: 0.8119849797334281
Energy: 0.85624186380105
Energy: 0.8635340038767907
Energy: 0.8555217497577327
Energy: 0.8635340038778608
Energy: 0.8558948509901668
Energy: 0.7860089190928211
Energy: 0.8486573882416839
Energy: 0.7860089190949612
Energy: 0.8557685698502794
Energy: 0.7865225810987383
Energy: 0.848781361763719
Energy: 0.7865225811019485
Energy: 0.8734688918500182
Energy: 0.767659905527741
Energy: 0.8758460639557359
Energy: 0.767659905527741
Energy: 0.8555684258510712
Energy: 0.7679994601496644
Energy: 0.8663081567632543
Energy: 0.7679994601475243
Energy: 0.8910037621763567
Energy: 0.7684649072211738
Energy: 0.8659710078588044
Energy: 0.7684649072211738
Energy: 0.8925483173471185
Energy: 0.7568798888649446
Energy: 0.8598608303746051
Energy: 0.7568798888660148
Energy: 0.8832801253734477
Energy: 0.7584471202375613
Energy: 0.854830010497187
Energy: 0.7584471202375613
Energy: 0.8621085114100778
Energy: 0.7585270481316021
Energy: 0.8919006322165873
Energy: 0.7585270481305321
Energy: 0.8526534745282334
Energy: 0.754837282616329
Energy: 0.8943713300404014
Energy: 0.754837282616329
Energy: 0.8481309799670562
Energy: 0.7537585450867968
Energy: 0.8480426517804747
Energy: 0.7537585450867968
Energy: 0.8944455444961352
Energy: 0.7550336200835863
Energy: 0.8544633064815753
Energy: 0.7550336200846565
Energy: 0.8919054564060969
Energy: 0.7583809108383267
Energy: 0.8686774246159447
Energy: 0.7583809108393967
Energy: 0.8546815976346015
Energy: 0.7580261386195116
Energy: 0.884564356897061
Energy: 0.7580261386173717
Energy: 0.8528648477253343
Energy: 0.7581195605008583
Energy: 0.8919703653069216
Energy: 0.7581195605008583
Energy: 0.8687434716688136
Energy: 0.768209235025211
Energy: 0.8912107826437652
Energy: 0.7682092350273513
Energy: 0.8671878063020818
Energy: 0.7676512753188797
Energy: 0.863729284575377
Energy: 0.7676512753199497
Energy: 0.8767970774212406
Energy: 0.7675064417969327
Energy: 0.8551201203750316
Energy: 0.7675064417947925
Energy: 0.8763980022739797
Energy: 0.7851604965814886
Energy: 0.8553459402250169
Energy: 0.7851604965793485
Energy: 0.8619262855179709
Energy: 0.7860348125975753
Energy: 0.8554548501497101
Energy: 0.7860348125954353
Energy: 0.8447525084094281
Energy: 0.7864088157767546
Energy: 0.8573666443453183
Energy: 0.7864088157756847
Energy: 0.844009892578509
Energy: 0.8123959619138394
Energy: 0.8524311811368659
Energy: 0.8123959619127693
Energy: 0.848856103599724
Energy: 0.8116750349833894
Energy: 0.8533188729691263
Energy: 0.8116750349855295
Energy: 0.8436246918646181
Energy: 0.8337258311093912
Energy: 0.8558470730156642
Energy: 0.8337258311126013
Energy: 0.851132266418687
Energy: 0.8337613770564065
Energy: 0.8396096093622986
Energy: 0.8337613770574764
Energy: 0.8416000578162176
Energy: 0.8343979098350014
Energy: 0.8388903066947279
Energy: 0.8343979098350014
Energy: 0.8432949641281968
Energy: 0.8127774243760967
Energy: 0.8388828175086397
Energy: 0.8127774243771668
Energy: 0.9764331550111115
Energy: 0.9764428330534998
Energy: 0.8402396452276066
Energy: 0.9764428330556398
Energy: 0.8386586116664922
Energy: 0.835783488785856
Energy: 0.8418156694736416
Energy: 0.835783488785856
Energy: 0.8479875961185406
Energy: 0.835176765168378
Energy: 0.8388929726143154
Energy: 0.835176765168378

minimum gb energy = 0.7537585450867968 eV
minimum distance =  2.29932060724474 Angstroms
sigma value = 85


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

Energy: 0.8396014935963777
Energy: 0.8463979274466162
Energy: 0.8528827035263434
Energy: 0.7173914350806938
Energy: 0.7346518619878972
Energy: 0.7123152727636697
Energy: 0.745474970149637
Energy: 0.7123152727645978
Energy: 0.7341036190783549
Energy: 0.7293388883855372
Energy: 0.7385269773151573
Energy: 0.7293388883855372
Energy: 0.7348462117766087
Energy: 0.7273056902235757
Energy: 0.7320145495795541
Energy: 0.7273056902235757
Energy: 0.7457884167492362
Energy: 0.7527866131196999
Energy: 0.7454400101477169
Energy: 0.7527866131196999
Energy: 0.7822458457387522
Energy: 0.7129434088486476
Energy: 0.7454793113706344
Energy: 0.7129434088486476
Energy: 0.7348904057726896
Energy: 0.712127997486293
Energy: 0.7453022099211801
Energy: 0.712127997486293
Energy: 0.7757379734528608
Energy: 0.7749226169509932
Energy: 0.7753284441885224
Energy: 0.7749226169509932
Energy: 0.7652121765262556
Energy: 0.6975496703976523
Energy: 0.7483143606194701
Energy: 0.6975496703967241
Energy: 0.7631351714605137
Energy: 0.6972733697267056
Energy: 0.7744280068551314
Energy: 0.6972733697276337
Energy: 0.7701562484371917
Energy: 0.6905532319966898
Energy: 0.7979376887652264
Energy: 0.6905532319966898
Energy: 0.774806272703774
Energy: 0.6881700489907049
Energy: 0.7810461793482881
Energy: 0.6881700489916329
Energy: 0.8045838626756202
Energy: 0.6887510505905885
Energy: 0.780364266171171
Energy: 0.6887510505915165
Energy: 0.8058885380502682
Energy: 0.6869223372496278
Energy: 0.7810502713483374
Energy: 0.6869223372486998
Energy: 0.7987374579286293
Energy: 0.6847832318746021
Energy: 0.778542887513962
Energy: 0.6847832318736742
Energy: 0.7856906615831378
Energy: 0.6856959718867809
Energy: 0.8124724221081695
Energy: 0.6856959718877089
Energy: 0.7836929639843722
Energy: 0.6852947613998821
Energy: 0.8132387293494534
Energy: 0.6852947613989541
Energy: 0.7836225180499778
Energy: 0.6846699181070164
Energy: 0.8140911043049486
Energy: 0.6846699181070164
Energy: 0.8179735311592689
Energy: 0.6852691238801257
Energy: 0.7855801609476553
Energy: 0.6852691238810538
Energy: 0.8181853598598743
Energy: 0.684559293817457
Energy: 0.7851352688010125
Energy: 0.684559293817457
Energy: 0.7858001821557259
Energy: 0.6843057101823946
Energy: 0.7853004398713551
Energy: 0.6843057101833226
Energy: 0.7854030919766647
Energy: 0.6854810909898248
Energy: 0.8192495655948266
Energy: 0.6854810909898248
Energy: 0.8022396104906112
Energy: 0.6843629402000501
Energy: 0.8180721681313481
Energy: 0.684362940199122
Energy: 0.814155905557846
Energy: 0.6838362714130173
Energy: 0.7833300534303463
Energy: 0.6838362714130173
Energy: 0.8136078769641071
Energy: 0.6863290420217383
Energy: 0.7834073388572584
Energy: 0.6863290420217383
Energy: 0.8125993756106031
Energy: 0.6851903036398834
Energy: 0.798917838523691
Energy: 0.6851903036408113
Energy: 0.7810361107098001
Energy: 0.6850060358216608
Energy: 0.7992950141719395
Energy: 0.6850060358225888
Energy: 0.7809722081854954
Energy: 0.6846593921831396
Energy: 0.804683428774048
Energy: 0.6846593921831396
Energy: 0.7813727478884547
Energy: 0.688460462677138
Energy: 0.7692118132868201
Energy: 0.688460462677138
Energy: 0.7818931579860753
Energy: 0.6889080530716853
Energy: 0.7696825591651334
Energy: 0.6889080530716853
Energy: 0.7978898642133911
Energy: 0.7307791668476535
Energy: 0.7694092047431815
Energy: 0.7307791668485815
Energy: 0.7585724636012335
Energy: 0.6963859154676816
Energy: 0.7636251793286019
Energy: 0.6963859154676816
Energy: 0.7457801019587605
Energy: 0.697343760258885
Energy: 0.7633059340624508
Energy: 0.6973437602598129
Energy: 0.7456019366399129
Energy: 0.7231048382635946
Energy: 0.77559258569622
Energy: 0.7231048382626666
Energy: 0.7460874957441617
Energy: 0.7119911109993813
Energy: 0.7648926073291881
Energy: 0.7119911110003092
Energy: 0.7453379648249514
Energy: 0.7135836491473577
Energy: 0.7755161736817433
Energy: 0.7135836491473577
Energy: 0.751892668084282
Energy: 0.7143561891385218
Energy: 0.7466129466340767
Energy: 0.7143561891385218
Energy: 0.7190350424721277
Energy: 0.7277574953557369
Energy: 0.7360934477110862
Energy: 0.7277574953557369
Energy: 0.7457264126981343
Energy: 0.7292168026663822
Energy: 0.7340653963685453
Energy: 0.7292168026663822
Energy: 0.7454277700518216
Energy: 0.7144995451343703
Energy: 0.7460096730658625
Energy: 0.7144995451352985
Energy: 0.7340146453866556
Energy: 0.7273436928050178
Energy: 0.7355666947201803
Energy: 0.7273436928050178
Energy: 0.7340582839725002
Energy: 0.7142272916891759
Energy: 0.7342050433747456
Energy: 0.714227291690104
Energy: 0.7355173255473244
Energy: 0.7286594694883154
Energy: 0.7341842388082321
Energy: 0.7286594694892434

minimum gb energy = 0.6838362714130173 eV
minimum distance =  2.29017894653793 Angstroms
sigma value = 113


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

Energy: 0.015059137659763421
Energy: 0.10250067182708339
Energy: 0.9104674648365273
Energy: 0.015215574630939152
Energy: 0.08770756928300596
Energy: 0.10313319054124849
Energy: 0.08922326943075248
Energy: 0.10313319054124849
Energy: 0.08656179527999366
Energy: 0.10297887545590163
Energy: 0.015635771680422232
Energy: 0.10297887545661508
Energy: 0.08632509112825766
Energy: 0.10313401262962958
Energy: 0.016970687725821245
Energy: 0.10313401262962958
Energy: 0.08784946424791726
Energy: 0.10223750834209522
Energy: 0.08701987408386216
Energy: 0.10223750834209522
Energy: 0.015604163720037131
Energy: 0.10271406362788144
Energy: 0.0864897827581119
Energy: 0.10271406362788144

minimum gb energy = 0.015059137659763421 eV
minimum distance =  2.4421863590756 Angstroms
sigma value = 1