Model name: model_name=Sim_LAMMPS_ADP_XuWangQian_2022_NiRh__SM_306597220004_000
a1: a1=[-1, 1, 0]
a2: a2=[0, 0, 1]
a3: a3=[1, 1, 0]
Species: species=Ni
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=3.523999765515327
cohesive_energy=4.440349234879022
mass=58.6934
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=180.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[2.5730476089049795e-19, 3.32917884955494e-19, 3.88902743077356e-19, 4.341241785720059e-19, 4.72172669276238e-19, 5.049323749116359e-19, 5.33528023475268e-19, 5.58707831455212e-19, 5.809925062575179e-19, 6.00764968097712e-19, 6.18321619653084e-19, 6.33891572182296e-19, 6.4766228035152595e-19, 6.597859509410039e-19, 6.703907580814499e-19, 6.79582445430708e-19, 6.874587457634519e-19, 6.9409496138148e-19, 6.995647924099559e-19, 7.039307237376059e-19, 7.072456271933519e-19, 7.095607724294819e-19, 7.109210203917479e-19, 7.11366425496e-19, 7.108841703291659e-19, 7.09320445934382e-19, 7.06465367172594e-19, 7.020770053720679e-19, 6.95854151325612e-19, 6.8743791746721e-19, 6.7639090957578e-19, 6.621763984789319e-19, 6.4413909393336e-19, 6.214618858557239e-19, 5.931273920834339e-19, 5.57860280015826e-19, 5.14043953429194e-19, 4.5960840011241e-19, 3.91889200323132e-19, 3.07398415529142e-19, 2.01637133742168e-19, 6.92441515095192e-20, -9.632542271869439e-20, -3.05985295737954e-19, -6.046710747314039e-19, -1.081735189271244e-18, -1.87161467853978e-18, -3.1778372447072996e-18, -5.3153972227247394e-18, -8.580905572844519e-18, -1.353675833713332e-17, -2.1622975852464e-17, -3.51059330982276e-17, -5.922670232309759e-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: 0.018022230767217033
Energy: 0.018650982187285958
Energy: 0.018355904869131332
Energy: 0.018298369632532514
Energy: 0.5951015192280212
Energy: 0.018383658095258167
Energy: 0.018650982187285958
Energy: 0.15943805025149269
Energy: 0.15951928287373762
Energy: 0.1596035669736157
Energy: 0.1594137432099236
Energy: 0.159564160493864
Energy: 0.018355904869131332
Energy: 0.15951928287373762
Energy: 0.1605985527038639
Energy: 0.018336255932093926
Energy: 0.1593679347776304
Energy: 0.16068310333604383
Energy: 0.018298369632532514
Energy: 0.1596035669742757
Energy: 0.018336255931763915
Energy: 0.018348063855729724
Energy: 0.1594982012585295
Energy: 0.018413531365654972
Energy: 0.595101519231578
Energy: 0.1594137432099236
Energy: 0.1593679347776304
Energy: 0.15949820125885955
Energy: 0.1594787967009858
Energy: 0.1595558312335833
Energy: 0.01838365809558818
Energy: 0.15956416049353395
Energy: 0.16068310333637384
Energy: 0.018413531365654972
Energy: 0.15955583123391331
Energy: 0.018567404235773213

minimum gb energy = 0.018022230767217033 eV
minimum distance =  2.48812261207306 Angstroms
sigma value = 1


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

Energy: 1.659848734694368
Energy: 1.1229533539615755
Energy: 1.1721755660685749
Energy: 1.0924210364378684
Energy: 1.1429328052811116
Energy: 1.1717557671457184
Energy: 1.61495212986453
Energy: 1.1216335988654422
Energy: 1.079725675941103
Energy: 1.1238616209541465
Energy: 1.1192944301617975
Energy: 1.1300411253580627
Energy: 1.5635379436688874
Energy: 1.097043868463509
Energy: 1.0952489153362053
Energy: 1.1371393479190561
Energy: 1.1195946599252276
Energy: 1.1139790004079742
Energy: 1.6843860988428456
Energy: 1.1092862484335366
Energy: 1.0778857808756785
Energy: 1.0702237319951582
Energy: 1.1124070910430601
Energy: 1.0787715181111306
Energy: 1.5420966994227754
Energy: 1.0952924090012481
Energy: 1.1140220738358924
Energy: 1.1247964886444732
Energy: 1.0969814361564574
Energy: 1.136135922311656
Energy: 1.5224977609452603
Energy: 1.1141350565123285
Energy: 1.1361833787024536
Energy: 1.1205801154917043
Energy: 1.0990283141189316
Energy: 1.1307480398883445
Energy: 1.5228111788827188
Energy: 1.10925303298471
Energy: 1.1105291889040636
Energy: 1.122658407494631
Energy: 1.0940368207544988
Energy: 1.1299588616501355
Energy: 1.3417089767237147
Energy: 1.0991297353246783
Energy: 1.1340893015018818
Energy: 1.0487874411152749
Energy: 1.1138247971154236
Energy: 1.1100780685447629
Energy: 1.2197111231252158
Energy: 1.109292231275648
Energy: 1.1318799964568733
Energy: 1.114578938089648
Energy: 1.1222616573626831
Energy: 1.136059143446977
Energy: 1.2193882884431626
Energy: 1.1419187486824167
Energy: 1.1397984283595584
Energy: 1.0960526861832265
Energy: 1.1256731887425324
Energy: 1.1106925359614201
Energy: 1.237837594865255
Energy: 1.0615749588364753
Energy: 1.0611658449390544
Energy: 1.1432183456512393
Energy: 1.0678191102181052
Energy: 1.0922005033262336
Energy: 1.118302041890919
Energy: 1.0709884446680766
Energy: 1.1015236224827616
Energy: 1.11859371739761
Energy: 1.1345232718650466
Energy: 1.0850578143144416
Energy: 1.1189398599002565
Energy: 1.1246457519778967
Energy: 1.131496123152876
Energy: 1.118909096405661
Energy: 1.140731894433215
Energy: 1.092621000288203
Energy: 1.2016438552167836
Energy: 1.0771154574747157
Energy: 1.077624514235279
Energy: 1.1081964856674644
Energy: 1.0918729379850807
Energy: 1.0930421083940798
Energy: 1.1500306108658551
Energy: 1.1251619094551388
Energy: 1.137895937452098
Energy: 1.0978782375981793
Energy: 1.1246730120604749
Energy: 1.0776556749751443
Energy: 1.149225460344276
Energy: 1.092851327938344
Energy: 1.1065367278210525
Energy: 1.098444571651339
Energy: 1.0921112611458348
Energy: 1.1144065403224879
Energy: 1.418955840410047
Energy: 1.102667276396154
Energy: 1.110103417090199
Energy: 1.0986177060158528
Energy: 1.1026013099773955
Energy: 1.0793769641168138
Energy: 1.3593775434526378
Energy: 1.1411372251390477
Energy: 1.1393518720172489
Energy: 1.1110044177532872
Energy: 1.111753778392695
Energy: 1.139229695969907
Energy: 1.3630779258676222
Energy: 1.140077444343111
Energy: 1.139092480485277
Energy: 1.1095728396190832
Energy: 1.1127467366739194
Energy: 1.1387212962677775
Energy: 1.4793622243674138
Energy: 1.1105607372461719
Energy: 1.1401697456225033
Energy: 1.1098861536758193
Energy: 1.1109417863913116
Energy: 1.1385255395770884
Energy: 1.5938201165331425
Energy: 1.0924848171982384
Energy: 1.0622072967140561
Energy: 1.0656041482131342
Energy: 1.1024207210446615
Energy: 1.0699124910268276
Energy: 1.6008462277743911
Energy: 1.1282426067738887
Energy: 1.1281693888289195
Energy: 1.1404157878668886
Energy: 1.1261941536256797
Energy: 1.1130228747444582
Energy: 1.6165002678645857
Energy: 1.096895855430618
Energy: 1.0757191025618347
Energy: 1.1367069378327006
Energy: 1.0966193807408924
Energy: 1.1357793966774945

minimum gb energy = 1.0487874411152749 eV
minimum distance =  2.30601994376674 Angstroms
sigma value = 33


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

Energy: 2.0279618697413277
Energy: 1.2132394266944402
Energy: 1.1684993427775174
Energy: 1.1689972195872802
Energy: 1.2328397256154053
Energy: 1.2116157163993677
Energy: 1.3615754877482769
Energy: 1.1555071781447475
Energy: 1.1485307164897391
Energy: 1.1769986620170847
Energy: 1.1553345855384094
Energy: 1.1307288272339167
Energy: 1.509300632619797
Energy: 1.1418164894868235
Energy: 1.1657866952206593
Energy: 1.1935244106115053
Energy: 1.1422715861071304
Energy: 1.1746111191039599
Energy: 1.6290448715590014
Energy: 1.222395297486646
Energy: 1.1453138118547244
Energy: 1.1601509108438144
Energy: 1.229094422671551
Energy: 1.1465749902069955
Energy: 1.5115406649357839
Energy: 1.155371098542409
Energy: 1.1829990858131827
Energy: 1.1660177407648409
Energy: 1.1569423078050605
Energy: 1.2316181462302314
Energy: 1.6187925918434147
Energy: 1.248869531405776
Energy: 1.1730362839193154
Energy: 1.1573977146998868
Energy: 1.1526299430018097
Energy: 1.2354911295387059
Energy: 1.6165721514024067
Energy: 1.204669954002328
Energy: 1.2204650464394253
Energy: 1.2405358165555718
Energy: 1.2199406587180415
Energy: 1.244339325750748
Energy: 1.5142634717364316
Energy: 1.1953198179698166
Energy: 1.1948137354162
Energy: 1.1601025258517235
Energy: 1.1923539240580021
Energy: 1.2004722236097396
Energy: 1.2993020053834334
Energy: 1.190349295442864
Energy: 1.2321652809379848
Energy: 1.2416848944903338
Energy: 1.188864879446069
Energy: 1.2338655662072424
Energy: 1.2990240640235184
Energy: 1.2382034194946214
Energy: 1.2421692022417592
Energy: 1.2394924135856065
Energy: 1.239457657427694
Energy: 1.2410788581992414
Energy: 1.336383570274824
Energy: 1.1254726748799115
Energy: 1.1263159921506356
Energy: 1.1600234421096172
Energy: 1.1289566072145951
Energy: 1.1260025665282238
Energy: 1.230189502366522
Energy: 1.1540458093671289
Energy: 1.190256556855962
Energy: 1.1929832924471315
Energy: 1.1843009810678184
Energy: 1.190073085168905
Energy: 1.2270327440867346
Energy: 1.227431630526679
Energy: 1.2272153775367616
Energy: 1.2191632491397437
Energy: 1.2316774561256496
Energy: 1.1761540907474317
Energy: 1.36341921433017
Energy: 1.1466138597235511
Energy: 1.131748240790729
Energy: 1.2316485298669018
Energy: 1.1473462030537098
Energy: 1.1496930226041449
Energy: 1.3137631016878137
Energy: 1.2414464943124937
Energy: 1.2393322633999282
Energy: 1.1976961615967736
Energy: 1.2427762931191044
Energy: 1.2365060633452076
Energy: 1.3129621705433283
Energy: 1.208405046742086
Energy: 1.2090061348280097
Energy: 1.2385084757888007
Energy: 1.20939673605313
Energy: 1.2446953944227876
Energy: 1.4584776424981516
Energy: 1.2116531453239603
Energy: 1.212210976620529
Energy: 1.1947465380543634
Energy: 1.2417348468902245
Energy: 1.1891564613572267
Energy: 1.4176039870540706
Energy: 1.2381750830128175
Energy: 1.2399900711009533
Energy: 1.191190827689147
Energy: 1.254592405503796
Energy: 1.1944348326762275
Energy: 1.4177340175865523
Energy: 1.2491570795049238
Energy: 1.242761887606421
Energy: 1.1929198931655884
Energy: 1.248159614118227
Energy: 1.2421978053252603
Energy: 1.4426135997298177
Energy: 1.224793120313472
Energy: 1.2375339328184858
Energy: 1.2333712968522892
Energy: 1.224297042322212
Energy: 1.238881108585598
Energy: 1.715055500096289
Energy: 1.2059408664071063
Energy: 1.078085896568276
Energy: 1.0785407209197095
Energy: 1.19376094079012
Energy: 1.0773799282479186
Energy: 1.2915449558737844
Energy: 1.1940665279607443
Energy: 1.197435516705225
Energy: 1.1458400590226692
Energy: 1.1960328824276198
Energy: 1.1680135786669112
Energy: 1.4425822938262995
Energy: 1.2148942952306883
Energy: 1.2048697467953522
Energy: 1.2381141081999567
Energy: 1.214696662042847
Energy: 1.2421103380417555
Energy: 1.676001411927489
Energy: 1.262096600337825
Energy: 1.2060420645185614
Energy: 1.131639790061609
Energy: 1.2235905206756423
Energy: 1.1754641339830725
Energy: 1.443106762547895
Energy: 1.2422706208503536
Energy: 1.240444411883634
Energy: 1.230457946908763
Energy: 1.224724598316536
Energy: 1.2404253748193352
Energy: 1.5153469536813977
Energy: 1.2412078824418356
Energy: 1.2426717125474576
Energy: 1.2437060087650202
Energy: 1.2399660952861729
Energy: 1.2311332457422506
Energy: 1.6187924917829963
Energy: 1.2365413442291628
Energy: 1.2253529819570128
Energy: 1.2479893805035414
Energy: 1.2048581697933516
Energy: 1.2217366851792484
Energy: 1.51447513588431
Energy: 1.1936165338891014
Energy: 1.1940116087004111
Energy: 1.2502037827520271
Energy: 1.193206323990967
Energy: 1.2299131705409405
Energy: 1.3178566703275751
Energy: 1.1933466103623918
Energy: 1.1941426765533292
Energy: 1.2389197793511393
Energy: 1.1928974771168783
Energy: 1.2333478355153058
Energy: 1.3168309266639824
Energy: 1.2256094199155794
Energy: 1.227160369673469
Energy: 1.2196938820688275
Energy: 1.2369912770804636
Energy: 1.2335655074131695
Energy: 1.3347557474575922
Energy: 1.1247256390771443
Energy: 1.1253023928152752
Energy: 1.2012129806047103
Energy: 1.1276153853477495
Energy: 1.1251980423196286
Energy: 1.2114804357251348
Energy: 1.1123553498188052
Energy: 1.1116056281971802
Energy: 1.2103366969437956
Energy: 1.154816938796437
Energy: 1.2157523699196833
Energy: 1.2127283575928518
Energy: 1.235621657097995
Energy: 1.227602952075997
Energy: 1.211317294537814
Energy: 1.2372242516186
Energy: 1.2058572944032038
Energy: 1.2118907526692593
Energy: 1.131692519648512
Energy: 1.1315866038568143
Energy: 1.2122140198884277
Energy: 1.146020151538416
Energy: 1.1329259565099425
Energy: 1.3051502992559605
Energy: 1.2427228686387597
Energy: 1.2445576664119038
Energy: 1.216255835005521
Energy: 1.2514466886687199
Energy: 1.2333307012515131
Energy: 1.3052100241468285
Energy: 1.232108195973248
Energy: 1.1263669445322366
Energy: 1.2403982446651578
Energy: 1.2631648958410358
Energy: 1.2460803426563472
Energy: 1.3069067068697682
Energy: 1.2268660848368098
Energy: 1.1537980954483262
Energy: 1.142531992079499
Energy: 1.1539721580256912
Energy: 1.2274477817587397
Energy: 1.4173995656798457
Energy: 1.253854453811672
Energy: 1.1765857322941178
Energy: 1.192438999726395
Energy: 1.176845470966097
Energy: 1.242806354980624
Energy: 1.415966755932413
Energy: 1.1853291964004118
Energy: 1.1718502931639403
Energy: 1.1911719075572407
Energy: 1.1696365248543612
Energy: 1.195478114245692
Energy: 1.5112935001421237
Energy: 1.1811249703711526
Energy: 1.1693400759964128
Energy: 1.1843826254113596
Energy: 1.1814116964246448
Energy: 1.158488218069151
Energy: 1.6941835881072769
Energy: 1.1097808428213871
Energy: 1.1094759513067103
Energy: 1.099075337040404
Energy: 1.1545409655074008
Energy: 1.142417193606655

minimum gb energy = 1.0773799282479186 eV
minimum distance =  2.29477131315881 Angstroms
sigma value = 51


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

Energy: 1.7250950217802474
Energy: 1.1189945587448256
Energy: 1.119700893236649
Energy: 1.1367604727204552
Energy: 1.1301894678688276
Energy: 1.1930427164086261
Energy: 1.4081537610039996
Energy: 1.1437914183308318
Energy: 1.1439216433187012
Energy: 1.1010180945754922
Energy: 1.1435975692548102
Energy: 1.1241836861298358
Energy: 1.5613517933677525
Energy: 1.1443529973530548
Energy: 1.1441002377310405
Energy: 1.158914335701512
Energy: 1.1443895389954388
Energy: 1.1453203188777514
Energy: 1.5610016952568175
Energy: 1.1253453232277923
Energy: 1.1126254639460236
Energy: 1.1344457300707436
Energy: 1.1441370995384337
Energy: 1.115426304705876
Energy: 1.31923898022623
Energy: 1.1602810921130184
Energy: 1.1773102498797643
Energy: 1.1381704635995387
Energy: 1.1573994528326903
Energy: 1.1874146510794266
Energy: 1.319283922054348
Energy: 1.1778646319664434
Energy: 1.187983316669332
Energy: 1.1573670765777189
Energy: 1.1752956079801333
Energy: 1.1875628030313596
Energy: 1.3189070775917224
Energy: 1.1279291125889146
Energy: 1.1770574945031254
Energy: 1.1578198245764886
Energy: 1.1011929987465396
Energy: 1.175891107496913
Energy: 1.3416004256765832
Energy: 1.1081304874668212
Energy: 1.1074417554992206
Energy: 1.131482402478329
Energy: 1.1089121871776941
Energy: 1.1073535504277396
Energy: 1.1444956212734405
Energy: 1.1080364758776786
Energy: 1.107954273656325
Energy: 1.1444378611141413
Energy: 1.1166720925189824
Energy: 1.1569160706328099
Energy: 1.1436042230753047
Energy: 1.1401971563850493
Energy: 1.1247752914735067
Energy: 1.1436261352691703
Energy: 1.1393791118372718
Energy: 1.143975558655375
Energy: 1.1889655277111288
Energy: 1.1105804808062072
Energy: 1.1098934384361256
Energy: 1.1289727484382746
Energy: 1.1109203969094121
Energy: 1.113959459800037
Energy: 1.180204642062061
Energy: 1.1397335012589442
Energy: 1.1687052417524166
Energy: 1.1238341955993367
Energy: 1.1522492901841583
Energy: 1.124291658192984
Energy: 1.1795877485683501
Energy: 1.131232759955757
Energy: 1.142740468667123
Energy: 1.1548417278068734
Energy: 1.2061861548456885
Energy: 1.1562942012251494
Energy: 1.1807620746386704
Energy: 1.1145083848678543
Energy: 1.11537402674327
Energy: 1.1258678354473635
Energy: 1.1138156172190914
Energy: 1.1166695133502758
Energy: 1.4076630217641088
Energy: 1.1451012279182533
Energy: 1.13236704128711
Energy: 1.1475963753954959
Energy: 1.1496647009698735
Energy: 1.1299934575977262
Energy: 1.408626941393218
Energy: 1.1595406515704785
Energy: 1.1594267375584215
Energy: 1.1028874944962077
Energy: 1.1245971611453192
Energy: 1.1523790090571235
Energy: 1.4550024043822007
Energy: 1.1574887567533798
Energy: 1.1576120549023816
Energy: 1.160408270510043
Energy: 1.1598976634741738
Energy: 1.1575038773754496
Energy: 1.7045297830153654
Energy: 1.1236530560039926
Energy: 1.1233328055200513
Energy: 1.114050616992352
Energy: 1.1445168876988117
Energy: 1.1327060171462502

minimum gb energy = 1.1010180945754922 eV
minimum distance =  2.27416661827939 Angstroms
sigma value = 19


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

Energy: 1.4600049627435694
Energy: 1.0910804711043498
Energy: 1.0980161594916469
Energy: 1.1999722246992823
Energy: 1.0626188370950993
Energy: 1.0901705135171724
Energy: 1.386316610404997
Energy: 1.0631683093706696
Energy: 1.062772350330728
Energy: 1.1108964823118024
Energy: 1.0632035384981966
Energy: 1.062987549498202
Energy: 1.252569270112407
Energy: 1.0632772905107657
Energy: 1.063224528981105
Energy: 1.1101092766538414
Energy: 1.0631059852941913
Energy: 1.0632403819208875
Energy: 1.2455309720503205
Energy: 1.0631698889630545
Energy: 1.0635138880511397
Energy: 1.1012658893185348
Energy: 1.0624747379703157
Energy: 1.0634513250721358
Energy: 1.2093218035897724
Energy: 1.0621727492349384
Energy: 1.1088531381633882
Energy: 1.110119058819798
Energy: 1.0618317293070942
Energy: 1.1111258521783598
Energy: 1.2541388564358635
Energy: 1.0280505161759463
Energy: 1.1087584714997585
Energy: 1.1121939247922625
Energy: 1.027732121058768
Energy: 1.1100355173701135
Energy: 1.2547856017162031
Energy: 1.109248927859608
Energy: 1.1093842955375621
Energy: 1.1140716573423657
Energy: 1.041604812862632
Energy: 1.1090709054522536
Energy: 1.2102810724121404
Energy: 1.0348892758678172
Energy: 1.033900562736505
Energy: 1.2118369782082696
Energy: 1.0308768266436603
Energy: 1.0289865806113878
Energy: 1.0632917657916885
Energy: 1.034005982379676
Energy: 1.0290444693025758
Energy: 1.063243720817316
Energy: 1.0346112294762135
Energy: 1.0274068245041401
Energy: 1.0649699999246438
Energy: 1.063069230996753
Energy: 1.062871098836396
Energy: 1.063088409138564
Energy: 1.1148228856671916
Energy: 1.0629185466419022
Energy: 1.0623193627239838
Energy: 1.101991704193974
Energy: 1.102574548332434
Energy: 1.0624426908869082
Energy: 1.1022383236489406
Energy: 1.0634547300563255
Energy: 1.254036920043214
Energy: 1.1099773057062727
Energy: 1.1089203852568597
Energy: 1.062854159660917
Energy: 1.1098418686544873
Energy: 1.0629446831476717
Energy: 1.0269019245885158
Energy: 1.1092414064355494
Energy: 1.1102298325167137
Energy: 1.026944816497933
Energy: 1.1090709925483373
Energy: 1.1106853548915285
Energy: 1.255121357802444
Energy: 1.1111492908111984
Energy: 1.1101614719943034
Energy: 1.0616188356344245
Energy: 1.1105972395317456
Energy: 1.109605481140604
Energy: 1.4632745694625438
Energy: 1.0625751400107442
Energy: 1.0627763499431375
Energy: 1.0348552867060565
Energy: 1.0626225976168489
Energy: 1.0276426742448694
Energy: 1.4628465129228676
Energy: 1.0646135523260187
Energy: 1.0284332845412647
Energy: 1.0274807051199093
Energy: 1.06364752006158
Energy: 1.0333604759552373
Energy: 1.2561262538708702
Energy: 1.0629561763198807
Energy: 1.062643689777281
Energy: 1.1101319973822699
Energy: 1.0630566740794936
Energy: 1.0626310906694683
Energy: 1.242062382378517
Energy: 1.0626256317638536
Energy: 1.0628506195429097
Energy: 1.1009061201087487
Energy: 1.062428156875081
Energy: 1.0633319868668727
Energy: 1.2419532445444106
Energy: 1.0626307846171332
Energy: 1.062852776206391
Energy: 1.1004390915761946
Energy: 1.0631541233651864
Energy: 1.0630970106414015
Energy: 1.2552828323851168
Energy: 1.027721621321115
Energy: 1.110441163516046
Energy: 1.1100359052386903
Energy: 1.02764847146801
Energy: 1.1087961786451543
Energy: 1.2496661030163267
Energy: 1.1088979132849328
Energy: 1.1100619512803058
Energy: 1.1082232258925964
Energy: 1.0619366991428751
Energy: 1.110105632617522
Energy: 1.2543321230624898
Energy: 1.1095877003233767
Energy: 1.1093673509829094
Energy: 1.0633115337635464
Energy: 1.0423955988111626
Energy: 1.1089867709006787
Energy: 1.2114458858249655
Energy: 1.0279393457875332
Energy: 1.028740099247998
Energy: 1.2123313577403838
Energy: 1.0277777647372366
Energy: 1.0954921182881554
Energy: 1.0631540156045876
Energy: 1.063515318698616
Energy: 1.063287082422701
Energy: 1.0633272908891598
Energy: 1.0905110570222516
Energy: 1.0630227003103943
Energy: 1.0630144937275716
Energy: 1.0704078042874858
Energy: 1.0629741966932906
Energy: 1.0630721213998806
Energy: 1.1102897548770414
Energy: 1.063204656618581
Energy: 1.2128808955934522
Energy: 1.1004043878811702
Energy: 1.1013194547288876
Energy: 1.2129767479468734
Energy: 1.1016642644977117
Energy: 1.0634811000779947
Energy: 1.2547204584273286
Energy: 1.1098150069837347
Energy: 1.1089989324051333
Energy: 1.0619956747519832
Energy: 1.1109465203047528
Energy: 1.1095690663437783
Energy: 1.0276412033789055
Energy: 1.111626729678679
Energy: 1.10917539360465
Energy: 1.0277252442919513
Energy: 1.1130943132672564
Energy: 1.1080533997665747
Energy: 1.2128103351605477
Energy: 1.1114302527222135
Energy: 1.109104884995284
Energy: 1.0430151498927356
Energy: 1.1132771969749955
Energy: 1.1099770539144436
Energy: 1.4632824390853998
Energy: 1.0631231715229426
Energy: 1.0279781052070365
Energy: 1.0292001898992413
Energy: 1.0628939268120834
Energy: 1.0281365873689767

minimum gb energy = 1.0269019245885158 eV
minimum distance =  2.35682688292591 Angstroms
sigma value = 27


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

Energy: 1.2583803771624942
Energy: 1.2621257738181135
Energy: 1.263062911933638
Energy: 1.1101991458908973
Energy: 1.0826832108947442
Energy: 1.2768160172942469
Energy: 1.134493124325183
Energy: 1.0831869909685476
Energy: 1.0836215801751787
Energy: 1.0458581615104658
Energy: 1.0831737724643866
Energy: 1.0250311896250426
Energy: 1.1335528302133842
Energy: 1.0830516387329021
Energy: 1.0832461708587555
Energy: 1.0606298008886348
Energy: 1.0828521228534667
Energy: 1.0367815679923813
Energy: 0.999248026136826
Energy: 1.0829423336991482
Energy: 1.0726769409869679
Energy: 1.0279165867354252
Energy: 1.0604880920737512
Energy: 1.0355449313315175
Energy: 1.2612304539086987
Energy: 0.9834064191419098
Energy: 1.025010476639877
Energy: 1.0836493158413392
Energy: 0.983167799116825
Energy: 1.0333323322779393
Energy: 1.0815936226326914
Energy: 0.9842083307511584
Energy: 0.9822938880575123
Energy: 1.0816992467473774
Energy: 0.9829340933788321
Energy: 0.982957348801922
Energy: 1.0847527675233992
Energy: 1.028002975363252
Energy: 1.0334355208958403
Energy: 1.0849512223402658
Energy: 1.0263767951609415
Energy: 1.0334630073352427
Energy: 1.0840201085862302
Energy: 1.0318954339721906
Energy: 1.022529060744178
Energy: 1.0837746098960197
Energy: 1.0311563174870482
Energy: 1.0462908002228954
Energy: 1.1344729478669546
Energy: 1.0344824374147616
Energy: 1.0131477152025725
Energy: 1.0837715030958721
Energy: 1.0204607854584833
Energy: 1.033116366272525
Energy: 1.1362613244512745
Energy: 1.047642268457446
Energy: 1.0543143802968524
Energy: 1.053185807751109
Energy: 1.026493218154987
Energy: 1.0574486947670894
Energy: 1.1335237022552247
Energy: 1.0702466735819478
Energy: 1.070259655381807
Energy: 1.0843160574033823
Energy: 1.071220468538431
Energy: 1.0632444575811555
Energy: 1.1336693317617006
Energy: 1.0844618429890442
Energy: 1.0329223620757013
Energy: 1.0676513888568602
Energy: 1.0826748339057013
Energy: 1.0256692946594226

minimum gb energy = 0.9822938880575123 eV
minimum distance =  2.32664609278368 Angstroms
sigma value = 9


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

Energy: 2.0125294751389684
Energy: 1.1593109378263478
Energy: 0.9202613857579837
Energy: 1.0678094183852453
Energy: 1.0173548080401256
Energy: 0.9204635099903756
Energy: 0.9885727678069959
Energy: 0.955572203168746
Energy: 0.9464173119138513
Energy: 0.9326706789430208
Energy: 0.9553206410092494
Energy: 0.9441246584947848
Energy: 0.9799067339688523
Energy: 0.9534685714056897
Energy: 0.9420780619773871
Energy: 0.9615113273879471
Energy: 0.9535894362713377
Energy: 0.9468436174788949
Energy: 0.9800572174496267
Energy: 0.9348883028666211
Energy: 0.9168724860574284
Energy: 0.9486042419047133
Energy: 0.9834337935079078
Energy: 0.9169668214660562
Energy: 1.0586503481045604
Energy: 0.9598147618782394
Energy: 0.9316963541848367
Energy: 0.9865992403456568
Energy: 0.9591108308643623
Energy: 0.9585277368904193
Energy: 0.9902257064439991
Energy: 0.955449290154196
Energy: 0.9577571934129115
Energy: 0.9910535053944706
Energy: 0.926947829412688
Energy: 0.8965070003545129
Energy: 0.9859189977425775
Energy: 0.9180241788595996
Energy: 0.9172685827456433
Energy: 0.9874029561656409
Energy: 0.9510651182812858
Energy: 0.9993288232871794
Energy: 0.9722555681442726
Energy: 0.962638931604952
Energy: 0.9736657126260673
Energy: 0.9724611062457563
Energy: 0.9469550561162421
Energy: 0.9141965630272504
Energy: 0.9701606708698081
Energy: 0.9722783493795267
Energy: 0.9862184668631805
Energy: 1.0004280473875509
Energy: 0.972300616297947
Energy: 0.9866911569376166
Energy: 0.9031676324666108
Energy: 0.9625984286906988
Energy: 0.9183151572755595
Energy: 0.9235745283185763
Energy: 0.9886894346956838
Energy: 0.9310708432837267
Energy: 0.9034282861325375
Energy: 0.9862641506722185
Energy: 0.9935741699048922
Energy: 0.9268843494690402
Energy: 0.9860326164056141
Energy: 0.955485763616935
Energy: 0.9657105256946746
Energy: 0.986637477613743
Energy: 0.9867273051469597
Energy: 0.9349474667982353
Energy: 0.9865062916591733
Energy: 0.958046060945933
Energy: 1.7640041109373754
Energy: 1.1023570745384772
Energy: 0.9416075759103145
Energy: 0.9155117303674192
Energy: 0.9920792987521776
Energy: 0.9223503761634868
Energy: 1.066810985299062
Energy: 0.9861998182252409
Energy: 0.9592665814528925
Energy: 0.9342966631053994
Energy: 0.9867746428061996
Energy: 0.9566530688520719
Energy: 0.9561539453226117
Energy: 0.9692624320603326
Energy: 0.9679620019708816
Energy: 0.9559877205027505
Energy: 0.9714027480510584
Energy: 0.9756334406217765
Energy: 0.9546619242759214
Energy: 0.9291137339812156
Energy: 0.9415539674351806
Energy: 0.9543384245756239
Energy: 0.9772324586421969
Energy: 0.9640030875471125
Energy: 0.9534305344733793
Energy: 0.9321368980311326
Energy: 0.9152141313241655
Energy: 0.9532598837341693
Energy: 0.9322081075540058
Energy: 0.9411684412436491
Energy: 0.9806031915962877
Energy: 0.9412596812609625
Energy: 0.9401404092063753
Energy: 0.9532262494668139
Energy: 0.9506206243339883
Energy: 0.9466108373063649
Energy: 0.9808172524034814
Energy: 0.9375180554118486
Energy: 0.9364481396430259
Energy: 0.9543219925042887
Energy: 0.9404372022308418
Energy: 0.9289645170272745
Energy: 0.9794281356854767
Energy: 0.9433816103069432
Energy: 0.9454212929421147
Energy: 0.9405364910705155
Energy: 0.9409631146747071
Energy: 0.9341859106012771
Energy: 0.9796216178003891
Energy: 0.9613753934787638
Energy: 0.9406344964217735
Energy: 0.960330857668013
Energy: 0.9558199198024631
Energy: 0.9314834072666714
Energy: 1.0390771819658124
Energy: 0.9548088937336066
Energy: 0.9920492679617438
Energy: 0.9606872152238034
Energy: 0.9547849357365766
Energy: 0.904097354267078
Energy: 1.035204693485695
Energy: 0.9553614490674339
Energy: 0.9521547820268101
Energy: 0.9600480244974766
Energy: 0.9556405158158598
Energy: 0.8910589968813696
Energy: 0.9796012901601959
Energy: 0.9555249836132356
Energy: 0.9559468652638661
Energy: 0.9792350593814512
Energy: 0.9547518864962785
Energy: 0.9635586342884181
Energy: 1.284425167427469
Energy: 0.9542091699385974
Energy: 0.9913383176571812
Energy: 0.9697841002560847
Energy: 0.9538939344225935
Energy: 0.9748774298831581
Energy: 0.9783655426724415
Energy: 0.934552990772342
Energy: 0.916602084644508
Energy: 0.9866885209671191
Energy: 0.9343183345480257
Energy: 0.9586708112620145
Energy: 0.9376019467721675
Energy: 0.9427040991214364
Energy: 0.9465010787372081
Energy: 0.9378646459345874
Energy: 0.9326977913278236
Energy: 0.9209948446757426
Energy: 0.9863556713376654
Energy: 0.916910264398656
Energy: 0.9173680805674046
Energy: 0.986445270059394
Energy: 0.9353346183667821
Energy: 0.987526964151736
Energy: 0.9875617432284849
Energy: 0.9630695958400551
Energy: 0.9175682503427914
Energy: 0.9879312689117684
Energy: 0.9718185974664536
Energy: 0.998582896503497
Energy: 0.9670025127946662
Energy: 0.9615443509203008
Energy: 0.9180205819935147
Energy: 0.9795622783172147
Energy: 0.9472361179943073
Energy: 0.91651542222837
Energy: 0.9035070104060984
Energy: 0.9717964673797913
Energy: 0.9847153537509971
Energy: 0.9723442656967549
Energy: 0.9721015271610361
Energy: 1.0065798005646052
Energy: 0.9101354611975239
Energy: 0.9722047434189464
Energy: 0.9358336726342463
Energy: 0.9240954008678516
Energy: 0.9722669741288896
Energy: 0.930854213177868
Energy: 1.1671701125357319
Energy: 0.9869611552626573
Energy: 0.9867925675351616
Energy: 0.9905962427955207
Energy: 0.9870679314359384
Energy: 0.9210431735640758
Energy: 0.9759127569837769
Energy: 0.98606331591045
Energy: 0.9860677316668761
Energy: 0.9523511601181149
Energy: 0.9858868743328827
Energy: 0.9149283709347282
Energy: 0.970658429299392
Energy: 0.9863586018455686
Energy: 1.0118791385846775
Energy: 0.9518887649121252
Energy: 0.986556704991218
Energy: 0.9574013485650252
Energy: 0.9738913078497793
Energy: 0.9664156637554594
Energy: 0.9734370851106214
Energy: 0.9881920889908116
Energy: 0.9695128122969205
Energy: 0.916515528069397
Energy: 0.9543885812826279
Energy: 0.9767904775007402
Energy: 0.9555161046509653
Energy: 0.955685759858014
Energy: 0.983679546936198
Energy: 0.9638619080276791
Energy: 0.9537378009402733
Energy: 0.9376819925682793
Energy: 0.934157612378694
Energy: 0.9537592837544384
Energy: 0.9343729755291922
Energy: 0.9543799582294246
Energy: 1.00509568734688
Energy: 0.9283245001418845
Energy: 0.922201820457378
Energy: 1.0047896367844966
Energy: 0.9283548197222367
Energy: 1.1014641399860574
Energy: 0.9786192269473882
Energy: 0.9368483899336572
Energy: 0.933182737784326
Energy: 0.953435094340349
Energy: 0.9364896177846537
Energy: 0.9297769700764201
Energy: 0.9783079394762009
Energy: 0.9426577794980419
Energy: 0.9366697705845105
Energy: 0.938852744246913
Energy: 0.9425948203271898
Energy: 0.9441185514085539
Energy: 0.9809773595820295
Energy: 0.9439632228805608
Energy: 0.9398764417169501
Energy: 0.9531547348924443
Energy: 0.9424961757623037
Energy: 0.9366420218715383
Energy: 1.0354962891258779
Energy: 0.9555829395655101
Energy: 0.9381125533328352
Energy: 0.9601366120827691
Energy: 0.9554587478604646
Energy: 0.8910396116022703

minimum gb energy = 0.8910396116022703 eV
minimum distance =  2.3113239903329 Angstroms
sigma value = 57


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

Energy: 1.040074989552985
Energy: 0.9156113648098174
Energy: 0.9149260951207204
Energy: 0.9893693845416481
Energy: 0.9700228376743428
Energy: 0.9267916055811531
Energy: 1.0411276761899997
Energy: 0.5394990478039248
Energy: 0.9380779939595352
Energy: 0.9781604637084023
Energy: 0.541570543774694
Energy: 0.9760442641515772
Energy: 1.06007354909266
Energy: 0.9790578413931784
Energy: 0.9584429005595985
Energy: 0.9727375750222691
Energy: 0.9769810943321453
Energy: 0.9521976976720955
Energy: 1.0600631106702574
Energy: 0.4864912223502006
Energy: 0.4743771906825698
Energy: 0.52551743076602
Energy: 0.48636884309852
Energy: 0.4735479465353567
Energy: 0.6132225871726646
Energy: 0.7367427047263441
Energy: 0.7388264893883293
Energy: 0.9978284322193728
Energy: 0.7461862053602647
Energy: 0.4731399158707202
Energy: 0.6121059674313355
Energy: 0.7524038995803191
Energy: 0.7424762454745012
Energy: 0.5605389779378755
Energy: 0.7520475513889227
Energy: 0.6981997979840725
Energy: 0.6147875382638222
Energy: 0.47348893857911695
Energy: 0.4737445304420564
Energy: 0.53910572057288
Energy: 0.4749145621086999
Energy: 0.4745886750864056
Energy: 0.6367520259982882
Energy: 0.5111056532174262
Energy: 0.5095623464014086
Energy: 0.4865616162917435
Energy: 0.48676115626716676
Energy: 0.5115432921665526
Energy: 0.4749671119662535
Energy: 0.47453024722272774
Energy: 0.4737506183096169
Energy: 0.4742404732464213
Energy: 0.47365126967176124
Energy: 0.47314233761107166
Energy: 0.4718020527439192
Energy: 0.5130346529355863
Energy: 0.4745463061185777
Energy: 0.47189210619313
Energy: 0.5254936145432034
Energy: 0.47661971416156096
Energy: 0.471695775286328
Energy: 0.4729809861625806
Energy: 0.4733947646476265
Energy: 0.4721093615518096
Energy: 0.4735263376013182
Energy: 0.473963490094619
Energy: 0.4723116738875643
Energy: 0.48586663191675766
Energy: 0.4723617306904764
Energy: 0.4897588351674177
Energy: 0.4737012257475345
Energy: 0.510528211438347
Energy: 0.6456809606107354
Energy: 0.48906627088629706
Energy: 0.4868048388793944
Energy: 0.4737742396822767
Energy: 0.48583287985113055
Energy: 0.5109363127929698
Energy: 0.6203361502542253
Energy: 0.4869605734847478
Energy: 0.5110691358760772
Energy: 0.5398972976652663
Energy: 0.5500644790530177
Energy: 0.47907981278174605
Energy: 0.6198662967296722
Energy: 0.7498672360939781
Energy: 0.7535985373567342
Energy: 0.9436973331486841
Energy: 0.7502619692612327
Energy: 0.7406654341081282
Energy: 0.5769057992044552
Energy: 0.4729297168654942
Energy: 0.47359135337301056
Energy: 0.5623512823732838
Energy: 0.7469952580569436
Energy: 0.47567097411472836
Energy: 1.0357374555276042
Energy: 0.9727359123945579
Energy: 0.9745288626828118
Energy: 0.973056107492995
Energy: 0.976964975929909
Energy: 0.9758771434140983
Energy: 0.5789248798338424
Energy: 0.9754669569742418
Energy: 0.5113051942480229
Energy: 0.5543775911571097
Energy: 0.9750755060659052
Energy: 0.9840506034315525
Energy: 1.0410606307822603
Energy: 0.47362602952176247
Energy: 0.9362109958519608
Energy: 0.8216043644165231
Energy: 0.5411318418179372
Energy: 0.9382138137826412

minimum gb energy = 0.471695775286328 eV
minimum distance =  2.3070702672258 Angstroms
sigma value = 11


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

Energy: 1.6679417912698542
Energy: 0.7942708457712038
Energy: 0.9295661248662854
Energy: 0.9042078888394482
Energy: 0.9470384278943819
Energy: 0.9335625937772325
Energy: 0.8072999356096868
Energy: 0.8280989675373335
Energy: 0.817639370102098
Energy: 0.8017052736919971
Energy: 0.7869093766879929
Energy: 0.7926869916326619
Energy: 0.7900651669918581
Energy: 0.8077299163004672
Energy: 0.7978887491767731
Energy: 0.7917115274703826
Energy: 0.7877122299584653
Energy: 0.7972708375611308
Energy: 0.7892494499731987
Energy: 0.8189493529723442
Energy: 0.8232539166247248
Energy: 0.7908026247174669
Energy: 0.7923305984253421
Energy: 0.7989096984556762
Energy: 0.7873639123564695
Energy: 0.9059498747669931
Energy: 0.8498140233410977
Energy: 0.8126361366482969
Energy: 0.8112472449062405
Energy: 0.7991076045799648
Energy: 0.846414504227718
Energy: 0.8632166675798096
Energy: 0.8556982417883634
Energy: 0.8157794641700693
Energy: 0.818271632154706
Energy: 0.839390147594107
Energy: 0.8463774176158964
Energy: 0.7994551026436227
Energy: 0.805477184080913
Energy: 0.7877953010028611
Energy: 0.8020918840410964
Energy: 0.8033437837075116
Energy: 0.808748627508515
Energy: 0.8087563173579884
Energy: 0.811789776715717
Energy: 0.8086001908778601
Energy: 0.8081642413300905
Energy: 0.813553413758162
Energy: 0.8484332917834
Energy: 0.8105741665567048
Energy: 0.7955194718340922
Energy: 0.8320233210856107
Energy: 0.7893493676759633
Energy: 0.8045553909829889
Energy: 1.062756944610304
Energy: 0.8516318183648744
Energy: 0.8397537176125909
Energy: 0.7952936299620117
Energy: 0.83271651898125
Energy: 0.8563803186027592
Energy: 0.8989476232927585
Energy: 0.843104735516509
Energy: 0.839993047913506
Energy: 0.8101470095936435
Energy: 0.8588925590323776
Energy: 0.9137926874745212
Energy: 0.9687585946910527
Energy: 0.7634653411329134
Energy: 0.7930139201572698
Energy: 0.8761680845572443
Energy: 0.7692193537366169
Energy: 0.8110755606363449
Energy: 0.9163787399481715
Energy: 0.763708101994771
Energy: 0.7657602820711408
Energy: 0.8112101048622227
Energy: 0.7719314551224337
Energy: 0.8118622591137784
Energy: 0.916409606570426
Energy: 0.8992603230370808
Energy: 0.9107086648484687
Energy: 0.8172351851564066
Energy: 0.8482171153802621
Energy: 0.9099263074008331
Energy: 0.9190429445459712
Energy: 0.8316514868439637
Energy: 0.8405065909209203
Energy: 0.8513498618459524
Energy: 0.8126608791383986
Energy: 0.8474486641181377
Energy: 1.1402192166292482
Energy: 0.9006016607361225
Energy: 0.9099554267182719
Energy: 0.8478604965990028
Energy: 0.9123937338831446
Energy: 0.9117388469370136
Energy: 1.2026807532430486
Energy: 0.8487330461362946
Energy: 0.8193075261521807
Energy: 1.0806670787811121
Energy: 0.8727567646864133
Energy: 0.7967074707449551
Energy: 1.405583605338747
Energy: 0.8521231796930742
Energy: 0.8335223444042453
Energy: 0.8104973792551907
Energy: 0.8482434996530259
Energy: 0.9104968861217126
Energy: 1.1453136246851752
Energy: 0.8147286053813475
Energy: 0.8186305702380665
Energy: 0.7886974309921477
Energy: 0.8098071677927869
Energy: 0.8094215681130384
Energy: 1.0193631567207706
Energy: 0.9515075844728541
Energy: 0.8110727092375346
Energy: 0.9851577762831407
Energy: 0.8125847939756479
Energy: 0.8117232774245826
Energy: 1.1397310472125477
Energy: 0.911188678117762
Energy: 0.850318417696516
Energy: 0.8537973650617146
Energy: 0.8939555473350523
Energy: 0.8478291650281801
Energy: 1.1073112297374001
Energy: 0.7970706170534744
Energy: 0.8559230800538318
Energy: 1.1562301645585866
Energy: 0.7863899016238718
Energy: 0.8851718384025029
Energy: 0.7897294673335431
Energy: 0.8629958965287219
Energy: 0.8516694685052518
Energy: 0.7907806171240617
Energy: 0.8113108705216948
Energy: 0.8476400073914951
Energy: 0.7877375450303161
Energy: 0.7967774950757966
Energy: 0.7988339614573524
Energy: 0.7881174453481521
Energy: 0.7947106010118231
Energy: 0.7991453552556689
Energy: 0.9097152739718616
Energy: 0.798134844399618
Energy: 0.8013165236131521
Energy: 0.8477598007719539
Energy: 0.7910134817734396
Energy: 0.8006864756253701
Energy: 0.8902078773848865
Energy: 0.799327723819202
Energy: 0.7967003189467745
Energy: 0.8086823254052798
Energy: 0.8145260631037033
Energy: 0.7647213160876781

minimum gb energy = 0.7634653411329134 eV
minimum distance =  2.32577481074893 Angstroms
sigma value = 41


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

Energy: 1.5974829809345352
Energy: 0.9027257340389173
Energy: 0.9035663090019997
Energy: 0.9811093296329971
Energy: 1.115520216104202
Energy: 0.9809953690011181
Energy: 0.8836924144543069
Energy: 0.8588597946119455
Energy: 0.8768480695860922
Energy: 0.8576150884772549
Energy: 0.8528136401121954
Energy: 0.857669121006496
Energy: 0.8532087196843285
Energy: 0.8675572948661198
Energy: 0.8581115712275685
Energy: 0.8534928214398851
Energy: 0.8543963670916987
Energy: 0.8575092346347998
Energy: 0.8527827774141898
Energy: 0.8771239996772386
Energy: 0.875396259890289
Energy: 0.8529831897915922
Energy: 0.8556608570004097
Energy: 0.8741001569530976
Energy: 0.8515499890972019
Energy: 0.8920361706792052
Energy: 0.8909293276721388
Energy: 0.8825726387130514
Energy: 0.8584756516132975
Energy: 0.8768701461997097
Energy: 0.9438421405620901
Energy: 0.876254464784554
Energy: 0.8610056104020373
Energy: 0.8825452761517325
Energy: 0.8703454793727712
Energy: 0.8832360935084096
Energy: 0.9463339784238122
Energy: 0.8555897196892162
Energy: 0.8720726989811514
Energy: 0.852824887853023
Energy: 0.8808434995832414
Energy: 0.8744992549400544
Energy: 0.8847403701535518
Energy: 0.9024776752746461
Energy: 0.9045571652899295
Energy: 0.8866203918716128
Energy: 0.9023449442505274
Energy: 0.8397639449405419
Energy: 0.9450341524106444
Energy: 0.8629054788681615
Energy: 0.8733344659406398
Energy: 0.8872080741861849
Energy: 0.8577282886998199
Energy: 0.87842597437492
Energy: 1.1933933261797938
Energy: 0.8884943684951879
Energy: 0.859268518130654
Energy: 1.0507011538203237
Energy: 0.8886806781957193
Energy: 0.8756429637991133
Energy: 0.9461871976991684
Energy: 0.8848745466418174
Energy: 0.8755492445952548
Energy: 0.8538880515664065
Energy: 0.8890203516668956
Energy: 0.8752509733327688
Energy: 0.9884352637156268
Energy: 0.8177964990581847
Energy: 0.81678234701233
Energy: 0.8870092436872841
Energy: 0.8180925254301787
Energy: 0.8749693347107561
Energy: 0.8574272439978616
Energy: 0.8173468283834874
Energy: 0.8173157588114756
Energy: 0.8889777845185083
Energy: 0.8177599890126619
Energy: 0.821614167321411
Energy: 0.8582496970146268
Energy: 0.8869238419473126
Energy: 0.878658862176901
Energy: 0.8574909709247696
Energy: 0.8964755569715146
Energy: 0.8585888567667948
Energy: 0.9042384210530364
Energy: 0.8608834975971313
Energy: 0.9037756734399414
Energy: 0.9043124037526117
Energy: 0.858150181305642
Energy: 0.9058145411729683
Energy: 0.851386507146976
Energy: 0.8755665260280747
Energy: 0.8744807577229484
Energy: 0.878974493349819
Energy: 0.853325781185723
Energy: 0.8577819541506199
Energy: 1.5018966413462747
Energy: 0.8902425932758006
Energy: 0.8768750214545625
Energy: 0.8971510531755551
Energy: 0.9089874461465355
Energy: 0.9020538436140355
Energy: 0.8837123597140836
Energy: 0.8861000830362104
Energy: 0.8877556940076288
Energy: 0.8933988471818577
Energy: 0.8839902197344084
Energy: 0.8380984703336348
Energy: 0.8539815959981786
Energy: 0.8557868258149077
Energy: 0.8616661208342439
Energy: 0.8536316343049694
Energy: 0.8534412317354083
Energy: 0.8589403184560881
Energy: 0.8529153944182255
Energy: 0.8674773575922123
Energy: 0.8591979551463665
Energy: 0.8531415313628823
Energy: 0.85543095578406
Energy: 0.8576191823490976
Energy: 0.8511618122216256
Energy: 0.8594667939522307
Energy: 0.8574528920828663
Energy: 0.8518325392911
Energy: 0.86478325755143
Energy: 0.8571964730780213
Energy: 0.9598554423425939
Energy: 0.8912126060534795
Energy: 0.937655187589478
Energy: 0.9958790268245573
Energy: 1.0796622572031835
Energy: 0.9362789922882505
Energy: 0.9452796647483873
Energy: 0.854502330689855
Energy: 0.8607719200030384
Energy: 0.8520490284357618
Energy: 0.8585170561701577
Energy: 0.8737048068683565
Energy: 0.8846557456539473
Energy: 0.9050864217694181
Energy: 0.8609240635341862
Energy: 0.8864656658764933
Energy: 0.9059465215106387
Energy: 0.8207529365944873
Energy: 0.9463801071393895
Energy: 0.8563111189935884
Energy: 0.8621261981769573
Energy: 0.8834717034932309
Energy: 0.8588619157460077
Energy: 0.8741866961568698
Energy: 0.946350509644526
Energy: 0.8855379276737251
Energy: 0.8863225262976115
Energy: 0.8534549539472678
Energy: 0.8878517156403641
Energy: 0.8892351102700619
Energy: 1.1945239589230605
Energy: 0.889394316263707
Energy: 0.8609240696148454
Energy: 0.8522058589347795
Energy: 0.8890189863061151
Energy: 0.874757992304759
Energy: 0.9426789822218237
Energy: 0.8675446495602576
Energy: 0.8917136587502389
Energy: 0.8879243018285278
Energy: 0.8470587674396812
Energy: 0.8776928254958197
Energy: 0.8571334528905689
Energy: 0.8976688483145498
Energy: 0.8973823974202547
Energy: 0.8900827216745344
Energy: 0.8977719222680314
Energy: 0.8995765941986693
Energy: 0.9562654275182184
Energy: 0.8919324184089087
Energy: 0.8766615590686729
Energy: 0.9565541713262059
Energy: 0.8933873852802109
Energy: 0.8765430590902953
Energy: 0.8564630846431527
Energy: 0.8584415876132554
Energy: 0.8573840149766916
Energy: 0.8564118236022946
Energy: 0.8557211667469953
Energy: 0.8584585637798987
Energy: 0.8522000537949814
Energy: 0.8644765098220271
Energy: 0.8741854944153898
Energy: 0.8621505678468916
Energy: 0.8544003644696079
Energy: 0.8600312993361114
Energy: 1.5022028356666532
Energy: 0.893485786402792
Energy: 0.8781536602723445
Energy: 0.821094716675684
Energy: 0.885966139336639
Energy: 0.8566921934008659

minimum gb energy = 0.81678234701233 eV
minimum distance =  2.33822697230831 Angstroms
sigma value = 33


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

Energy: 1.0940033780858422
Energy: 1.0782369353282586
Energy: 1.0789947538911737
Energy: 1.0929329827398533
Energy: 1.020555100350954
Energy: 1.0806224917620375
Energy: 0.9733057836634977
Energy: 0.9125845356170104
Energy: 0.9367990834492377
Energy: 0.9417508255872649
Energy: 0.929889117815905
Energy: 0.9088891737296522
Energy: 0.9289892769585683
Energy: 0.9108601929485723
Energy: 0.9112741642368155
Energy: 0.9291408442584375
Energy: 0.9124468219864535
Energy: 0.9109632411745672
Energy: 0.9283054178636645
Energy: 0.9383943353584677
Energy: 0.9151529644453805
Energy: 0.9289799775160146
Energy: 0.9385109145016727
Energy: 0.915029110532567
Energy: 0.9270261696546336
Energy: 0.9154922097767297
Energy: 0.8799414229411028
Energy: 0.9272569319752324
Energy: 0.9403721546862798
Energy: 0.8788891756098384
Energy: 1.0351032005033463
Energy: 0.9126798175266584
Energy: 0.8801563613133224
Energy: 0.9912580729047498
Energy: 0.9377612776783815
Energy: 0.9412901648130009
Energy: 0.9754817934546101
Energy: 0.8813851977719037
Energy: 0.9130474019185185
Energy: 0.9306614410761728
Energy: 0.9111143588618196
Energy: 0.9134031605891642
Energy: 0.9713356796532918
Energy: 0.9456296781919615
Energy: 0.9059275763267466
Energy: 0.9772602957200106
Energy: 0.9872560890517676
Energy: 0.9062065260488531
Energy: 0.97534686183432
Energy: 0.878193717590106
Energy: 0.9088781715072214
Energy: 1.0075486709943222
Energy: 0.8811226718902173
Energy: 0.8794003823365999
Energy: 0.9772290404948493
Energy: 0.9092819470085413
Energy: 0.9091835715648915
Energy: 0.9306932008213145
Energy: 0.939263403948618
Energy: 0.9092848081834726
Energy: 0.9741617585108724
Energy: 0.8815697976211841
Energy: 0.9126892878672455
Energy: 0.9277016708892261
Energy: 0.879311125515323
Energy: 0.9118623110215702
Energy: 1.0272689232310241
Energy: 0.878694940244889
Energy: 0.8772697481727219
Energy: 0.9270518133419563
Energy: 0.8780898562290695
Energy: 0.8767644893019733
Energy: 0.9919056871876282
Energy: 0.8783417890135238
Energy: 0.8771384400774723
Energy: 0.9921570385478042
Energy: 0.8783259455346456
Energy: 0.8762144906190651
Energy: 0.9313362084140713
Energy: 0.9141562134873309
Energy: 0.9120266240691263
Energy: 0.9328560847503076
Energy: 0.9385342576641249
Energy: 0.910998410636514
Energy: 0.8766743503151551
Energy: 0.9093964308291456
Energy: 0.910313829315236
Energy: 0.9364900396628488
Energy: 0.9103346081438549
Energy: 0.9105859411408432
Energy: 0.9281896820359439
Energy: 0.9347632533045809
Energy: 0.908247771445759
Energy: 0.973788590172473
Energy: 0.9307064844268857
Energy: 0.9116162589803143
Energy: 1.3979071734974438
Energy: 0.9921529341398021
Energy: 0.9088856656803623
Energy: 0.9360580028171871
Energy: 1.0211332868123484
Energy: 0.9101275202283785
Energy: 0.9761438496654348
Energy: 0.9086819907888112
Energy: 0.879467422856511
Energy: 0.9340099493540172
Energy: 0.9090180495667116
Energy: 0.8790618172120658
Energy: 0.9279974241400722
Energy: 0.8789706539326836
Energy: 0.8788107704018594
Energy: 0.9426655236178534
Energy: 0.9781643198247494
Energy: 0.9153743079094495
Energy: 0.8803594362061076
Energy: 0.8791178350465448
Energy: 0.8785463619308865
Energy: 0.880315718214271
Energy: 0.9776341983329069
Energy: 0.9101757776646352
Energy: 0.8805475542176266
Energy: 0.8803246162544032
Energy: 0.8798001759091079
Energy: 0.8790705783621651
Energy: 0.8801559935846772
Energy: 0.9098463629711034
Energy: 0.9901045435026492
Energy: 0.909169243032092
Energy: 0.9093713836964251
Energy: 0.9904118519298738
Energy: 0.9139218098554938
Energy: 0.9986435046524081
Energy: 0.926103552004775
Energy: 0.9381650279328446
Energy: 0.9094063169256564
Energy: 0.8782497740872816
Energy: 0.9283289921106488
Energy: 0.878766342762244
Energy: 0.9755366330057301
Energy: 0.9747008219686233
Energy: 0.8769041235015864
Energy: 0.8769409402205669
Energy: 1.034932164160813
Energy: 0.8773208720063496
Energy: 0.9746516466911449
Energy: 0.913625109387973
Energy: 0.9395913958923934
Energy: 0.8804723944173578
Energy: 0.928182771995923
Energy: 0.908325757538371
Energy: 0.9287851512800647
Energy: 0.9103686848919106
Energy: 0.9097634760862894
Energy: 0.929887877303718
Energy: 0.9378586644826419
Energy: 0.909463520520352
Energy: 0.9296954694379185
Energy: 0.9102157213215347
Energy: 0.9120251255486959
Energy: 0.9309528123627857
Energy: 0.943744662164108
Energy: 0.9118096991647865
Energy: 0.927574124289562
Energy: 0.9095632793044872
Energy: 0.9097302906912464
Energy: 0.9284986012172395
Energy: 0.9366959102227859
Energy: 0.9075650102105646
Energy: 1.0964299725838236
Energy: 0.9178828192604576
Energy: 0.9199946496650182
Energy: 1.0938659650040992
Energy: 0.9107631165108417
Energy: 0.9113862365094404
Energy: 0.9740938835461416
Energy: 0.9084003220049628
Energy: 0.881866120341006
Energy: 0.9281594087874078
Energy: 0.8824022338435702
Energy: 0.9137653073498091
Energy: 0.9723039931286079
Energy: 0.9926600038878752
Energy: 0.9051486950330242
Energy: 0.8814791294185722
Energy: 0.9905482589462005
Energy: 0.9055126531642662
Energy: 0.9769363434314188
Energy: 0.8784350888121564
Energy: 0.9092377620382683
Energy: 0.9914843146068547
Energy: 0.882725474182444
Energy: 0.8802249469717252
Energy: 1.0535253203533543
Energy: 0.9156192720709861
Energy: 0.9094388735551514
Energy: 0.9274306156568664
Energy: 0.9476684339669134
Energy: 0.9120374634617063
Energy: 1.0537145258100227
Energy: 0.9399834715035343
Energy: 0.9104299213290798
Energy: 0.9266808916000111
Energy: 0.8799201898754183
Energy: 0.9150674685845577
Energy: 0.9733002692440279
Energy: 0.9067253887490556
Energy: 0.8768495173339987
Energy: 0.9266418295046411
Energy: 0.8835237555697549
Energy: 0.8791499159313708
Energy: 0.9907545117405243
Energy: 0.8782520285301536
Energy: 0.8778959322316023
Energy: 0.990817895624918
Energy: 0.8788912729625118
Energy: 0.8766666797399987
Energy: 0.9283173414788513
Energy: 0.9366054638272814
Energy: 0.9127031982284328
Energy: 0.929765511670158
Energy: 0.9102391808669381
Energy: 0.9089265550607148
Energy: 0.9333821724683928
Energy: 0.9095389180289255
Energy: 0.9114553345304424
Energy: 0.9358357369563998
Energy: 0.9118519246910747
Energy: 0.9524944465217023
Energy: 0.928756283007702
Energy: 0.9364231604533338
Energy: 0.9094945976769648
Energy: 0.9494607254237559
Energy: 0.9335320480811414
Energy: 0.9105930660686798
Energy: 1.3975767393943312
Energy: 0.9085089165040696
Energy: 0.8817969587648159
Energy: 0.9265530685342322
Energy: 0.9925473712014327
Energy: 0.9100590363600997
Energy: 1.0568996441494865
Energy: 0.9515125681550067
Energy: 0.8795448298406172
Energy: 0.9381144393073199
Energy: 0.9582560591816759
Energy: 0.879421624099135
Energy: 0.9322817369555734
Energy: 0.8802670417379787
Energy: 0.8780528121697557
Energy: 0.9429442343209206
Energy: 0.9766847687452539
Energy: 0.9135519569232852
Energy: 0.9397777572842108
Energy: 0.8773302502974061
Energy: 0.8786235017027209
Energy: 0.9394777897488504
Energy: 0.9704439052615952
Energy: 0.881032648742116
Energy: 0.878912395453419
Energy: 0.879480514311181
Energy: 0.8806081229070211
Energy: 0.8801225023691396
Energy: 0.8813767683162468
Energy: 0.9094949468987124
Energy: 0.9864271163143359
Energy: 0.9091790381539223
Energy: 0.9450369088470669
Energy: 0.9867303111645793
Energy: 0.9171157999677134
Energy: 0.9422145788726458
Energy: 0.9264557920430607
Energy: 0.9085478648242679
Energy: 0.9400591391824383
Energy: 0.9078987570882924
Energy: 0.9318406119515313
Energy: 0.9114783385309841
Energy: 1.8268237997088606
Energy: 0.8839575221263158
Energy: 0.8765906990544594
Energy: 0.8784454879595689
Energy: 1.029233831285358
Energy: 0.877751345274642

minimum gb energy = 0.8762144906190651 eV
minimum distance =  2.33247336280764 Angstroms
sigma value = 67


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

Energy: 1.2685653556199379
Energy: 0.9624650311948221
Energy: 0.9619800332933679
Energy: 0.9598915271859659
Energy: 1.0043068156902268
Energy: 0.9610167099277256
Energy: 1.0632562323440615
Energy: 0.9590636209035742
Energy: 0.9575745203257091
Energy: 0.9604412695848091
Energy: 0.9654446948031393
Energy: 0.9568509528915028
Energy: 0.9967411607190527
Energy: 0.9163235297603696
Energy: 0.9594497377990908
Energy: 0.9582666996921575
Energy: 0.9149817352664212
Energy: 0.9593996685300051
Energy: 0.9972180600645376
Energy: 0.9583210635633472
Energy: 0.9600225051404214
Energy: 0.976433294904803
Energy: 0.9584296715313738
Energy: 0.9599002339018214
Energy: 0.9937008530620498
Energy: 0.9595289910513215
Energy: 0.9594967971841241
Energy: 0.9944531305961889
Energy: 0.9595790644339707
Energy: 0.9602844555278948
Energy: 0.9952583468914756
Energy: 0.9601552511386912
Energy: 0.963668884143712
Energy: 0.9958038405485391
Energy: 0.9590376338633655
Energy: 0.9643629014667127
Energy: 1.0628279496322877
Energy: 0.9586003554388197
Energy: 0.956627879671791
Energy: 0.9144142411450477
Energy: 0.9668376143669061
Energy: 0.9563885225792645

minimum gb energy = 0.9144142411450477 eV
minimum distance =  2.36064199092564 Angstroms
sigma value = 3


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

Energy: 1.4216638548747857
Energy: 1.2018047789883193
Energy: 1.1099833927372564
Energy: 1.0731944635851802
Energy: 1.7224288229718965
Energy: 1.113443159187164
Energy: 1.0310079678245148
Energy: 1.0516708495571696
Energy: 1.052194464707542
Energy: 1.108700019036974
Energy: 1.1009610349977836
Energy: 1.0351723304407787
Energy: 1.0437977689444762
Energy: 1.0327530941635255
Energy: 1.0323438801249434
Energy: 1.0440882865131116
Energy: 1.0330928134074766
Energy: 1.0382290350737644
Energy: 1.0384084729809313
Energy: 1.0342260926316398
Energy: 1.0341734356852075
Energy: 1.0396004749813752
Energy: 1.0325484587323004
Energy: 1.0339158036330964
Energy: 1.0317985542570756
Energy: 1.0323761231426483
Energy: 1.032694408873242
Energy: 1.0322728714475948
Energy: 1.0372570620211865
Energy: 1.0330689579692622
Energy: 1.032240691617013
Energy: 1.0338221780447785
Energy: 1.0327484095984485
Energy: 1.0325853848334257
Energy: 1.0374163809182593
Energy: 1.0324564312919513
Energy: 1.032777277235395
Energy: 1.0989280914490327
Energy: 1.0917086174165458
Energy: 1.060437697287019
Energy: 1.133590490256925
Energy: 1.0347270072823125
Energy: 1.5818398749241014
Energy: 1.0958798555810496
Energy: 1.1083489788590677
Energy: 1.0352515224290029
Energy: 1.0711846338144129
Energy: 1.1094008577963628
Energy: 1.0354981268724035
Energy: 1.030595711841078
Energy: 1.031867380744201
Energy: 1.0648626289789616
Energy: 1.054407474970987
Energy: 1.0609111082022533
Energy: 1.0392963825139707
Energy: 1.0314962267986143
Energy: 1.0387639345441793
Energy: 1.0989201447280592
Energy: 1.03156825600308
Energy: 1.0851963202258228
Energy: 1.095583208766112
Energy: 1.0311098343628167
Energy: 1.0676616035351718
Energy: 1.0964929984761418
Energy: 1.0584603323805635
Energy: 1.079209499679927
Energy: 1.1270025793737233
Energy: 1.0312472273958029
Energy: 1.0307634555592484
Energy: 1.0996885916546106
Energy: 1.0421215615783666
Energy: 1.0300972514892863
Energy: 1.0974757611748653
Energy: 1.030541247096146
Energy: 1.030834013242334
Energy: 1.0743831165318614
Energy: 1.029736208924948
Energy: 1.0301178201841485
Energy: 1.1182608961688203
Energy: 1.0309129468499585
Energy: 1.030704358684525
Energy: 1.0529145807406002
Energy: 1.0348822127105644
Energy: 1.031638202743392
Energy: 1.1541921763832477
Energy: 1.0493458071662332
Energy: 1.0494143133382874
Energy: 1.0333918358395864
Energy: 1.0494660225454742
Energy: 1.0407167831689337
Energy: 1.0973678110636025
Energy: 1.0334943529986025
Energy: 1.0321747655010818
Energy: 1.0839097307944057
Energy: 1.0557287483731286
Energy: 1.0313859276943667
Energy: 1.237432868177333
Energy: 1.0336610910640436
Energy: 1.0819338218040555
Energy: 1.2382831289061242
Energy: 1.0338529171990207
Energy: 1.0624510134876937
Energy: 1.0696234861233067
Energy: 1.0513754683928733
Energy: 1.0364077059549959
Energy: 1.040212075712224
Energy: 1.0596420866947176
Energy: 1.0701543491106802
Energy: 1.228253168769774
Energy: 1.0561102065168182
Energy: 1.0331434347567523
Energy: 1.0293971248223799
Energy: 1.0502859603431065
Energy: 1.0293886915041648
Energy: 1.2015018496312582
Energy: 1.0747486873246346
Energy: 1.074368012110876
Energy: 1.0312244422530878
Energy: 1.0723551974848928
Energy: 1.0303648142822457
Energy: 1.0620785200266238
Energy: 1.0762918164705362
Energy: 1.0699282193535107
Energy: 1.0744786061712401
Energy: 1.0697726069838294
Energy: 1.0695015163434163
Energy: 1.0633551868380446
Energy: 1.0726944439146138
Energy: 1.0691264952860848
Energy: 1.0797277299779495
Energy: 1.0678782821927253
Energy: 1.0685668171994602
Energy: 1.0670559286679795
Energy: 1.071525873755894
Energy: 1.0704606249351072
Energy: 1.0685155947651308
Energy: 1.0383273972974576
Energy: 1.0852498448240135
Energy: 1.070391412073738
Energy: 1.0377487439251025
Energy: 1.0370925737418177
Energy: 1.0703178809684228
Energy: 1.037130531371567
Energy: 1.0704632650260604
Energy: 1.040279209467726
Energy: 1.0318045350610598
Energy: 1.0301339433655277
Energy: 1.0668888891843422
Energy: 1.027773680677096
Energy: 1.0298199215815662
Energy: 1.2815465829720096
Energy: 1.0643615675990445
Energy: 1.1521269852164144
Energy: 1.03194439045674
Energy: 1.1792182763377257
Energy: 1.0475205367478069
Energy: 1.0275213555512193
Energy: 1.118408525550024
Energy: 1.1031338744181864
Energy: 1.0293796206816999
Energy: 1.1699147555282738
Energy: 1.0672878431434298
Energy: 1.0290730046248755
Energy: 1.0327634531301857
Energy: 1.029859122527071
Energy: 1.0374338413847166
Energy: 1.04866823483092
Energy: 1.0294194088930682
Energy: 1.0430996573046079
Energy: 1.034346838352813
Energy: 1.0336041741112643
Energy: 1.0437389955350307
Energy: 1.0350561662964781
Energy: 1.05045913645206
Energy: 1.0442517857480078
Energy: 1.0487102098886902
Energy: 1.0489037917181017
Energy: 1.0467201215940392
Energy: 1.0397442854884074
Energy: 1.0497304316523297
Energy: 1.0438898200611488
Energy: 1.0433444291533867
Energy: 1.0433059838547714
Energy: 1.0442751228247245
Energy: 1.1145770386215592
Energy: 1.0506476386995989
Energy: 1.054193830718717
Energy: 1.0793352715048106
Energy: 1.0814594093864778
Energy: 1.0647896151441587
Energy: 1.1039329864984173
Energy: 1.07485447728565
Energy: 1.2575090272851766
Energy: 1.0963331596243133
Energy: 1.0926755656181948
Energy: 1.0301371028484039
Energy: 1.143194399414693
Energy: 1.0412469074005246
Energy: 1.0705526532672922
Energy: 1.0299893877907607
Energy: 1.0300340709159646
Energy: 1.0612495244048055
Energy: 1.064566455411884
Energy: 1.0297022519763077
Energy: 1.0721222614618733
Energy: 1.061099225682561
Energy: 1.0797579285331993
Energy: 1.053196258941949
Energy: 1.0399650620391672
Energy: 1.0496610490898786
Energy: 1.128672246638739
Energy: 1.0312015170693454
Energy: 1.029567680818527
Energy: 1.1298241698446354
Energy: 1.0317138176926939
Energy: 1.1012360384510524
Energy: 1.1078419148205199
Energy: 1.033680789575769
Energy: 1.030606756261301
Energy: 1.1049432195556392
Energy: 1.0496079343093387
Energy: 1.030344702040289
Energy: 1.3126124274827735
Energy: 1.0312039718660664
Energy: 1.0311052707993262
Energy: 1.0292148284558855
Energy: 1.0310421535794871
Energy: 1.0928816928010288
Energy: 1.1264281482000165
Energy: 1.0294232516636375
Energy: 1.0293715313217644
Energy: 1.1007049933076594
Energy: 1.0371167767434648
Energy: 1.0287790192063293
Energy: 1.1526347328829367
Energy: 1.0367676529183998
Energy: 1.0363241591791208
Energy: 1.03150646920605
Energy: 1.036571497712999
Energy: 1.0361890031969605
Energy: 1.0680063594548825
Energy: 1.0317514523156321
Energy: 1.0306337737363243
Energy: 1.0544886441041708
Energy: 1.1024985986526954
Energy: 1.0303191586598097
Energy: 1.2162442759059264
Energy: 1.042840331457463
Energy: 1.0421030514877656
Energy: 1.218760487337898
Energy: 1.0414675369433617
Energy: 1.0313799271116453
Energy: 1.2975321125355384
Energy: 1.0325078516204282
Energy: 1.0673829235108454
Energy: 1.2367978099881176
Energy: 1.032624951317089
Energy: 1.115971086465325
Energy: 1.1154053007306606
Energy: 1.0377054510446342
Energy: 1.0305498519287757
Energy: 1.0398931353927303
Energy: 1.0630831480892269
Energy: 1.0297936649212058
Energy: 1.488402043315614
Energy: 1.0632496433777137
Energy: 1.0988364798048509
Energy: 1.07697430439945
Energy: 1.0625842036416506
Energy: 1.0987714416476335
Energy: 1.0586309874490758
Energy: 1.0657625975154397
Energy: 1.0679265847961534
Energy: 1.0728517618493367
Energy: 1.0579438391687528
Energy: 1.0695812517744572
Energy: 1.0530308275060467
Energy: 1.0600028409494364
Energy: 1.0581780493742112
Energy: 1.0586798744286512
Energy: 1.0664321341884673
Energy: 1.0582438391538107
Energy: 1.0528077740281525
Energy: 1.0612011152126477
Energy: 1.0625768715150181
Energy: 1.0524996919784717
Energy: 1.0656601660607634
Energy: 1.0626250281560727
Energy: 1.0542344671546653
Energy: 1.0293620561346188
Energy: 1.0371277485247703
Energy: 1.0551243580361778
Energy: 1.0298634507311468
Energy: 1.0694531531245293
Energy: 1.041487162214094
Energy: 1.0304439889856931
Energy: 1.030099355266636
Energy: 1.0568418996686406
Energy: 1.0306173117020545
Energy: 1.0368333873469877
Energy: 1.0307435780913836
Energy: 1.0487198173348573
Energy: 1.0622235900371404
Energy: 1.0897389703480054
Energy: 1.0563848904168025
Energy: 1.0771337961329486

minimum gb energy = 1.0275213555512193 eV
minimum distance =  2.31399197602367 Angstroms
sigma value = 81


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

Energy: 1.8075833848593883
Energy: 1.0289234140722499
Energy: 1.0286876338653241
Energy: 1.0321353454708295
Energy: 1.2290889494155302
Energy: 1.0285077281750035
Energy: 0.9956473934671138
Energy: 1.061793729348413
Energy: 1.0649992523402887
Energy: 1.0461747586576515
Energy: 1.01371901056991
Energy: 1.0728374419848021
Energy: 1.0421531859513857
Energy: 1.0148454443579187
Energy: 1.0478042363272266
Energy: 1.0417394027147793
Energy: 1.0442198384626271
Energy: 1.0361868554340243
Energy: 1.0392186469858358
Energy: 1.032231566699677
Energy: 1.0721728837044298
Energy: 1.0389998022085052
Energy: 1.0380442368943448
Energy: 1.0413727779834439
Energy: 1.0404662184873743
Energy: 1.064370121965423
Energy: 1.0658023816758653
Energy: 1.0408118560850963
Energy: 1.0651398606519242
Energy: 1.065597235087031
Energy: 1.0396709326632048
Energy: 1.0653031839241869
Energy: 1.0667606810576513
Energy: 1.0392337155688915
Energy: 1.0662942716646873
Energy: 1.0664823782830783
Energy: 1.0363081753058785
Energy: 1.0076791754960162
Energy: 1.0486645157088106
Energy: 1.0456447386515104
Energy: 1.0527457505311364
Energy: 1.0466930461954556
Energy: 1.1978854757269863
Energy: 1.2154011793619313
Energy: 1.1131564629036526
Energy: 0.9996509499175529
Energy: 1.144764779218969
Energy: 1.0788356546540827
Energy: 1.0270917994890023
Energy: 1.0075413611711423
Energy: 1.0470012577374646
Energy: 1.0423177847911642
Energy: 1.0122385713520397
Energy: 1.008604312540796
Energy: 1.0952584166312611
Energy: 0.9672319561414311
Energy: 0.9675033645036123
Energy: 1.0719224332336166
Energy: 0.967216462940243
Energy: 0.9687322275290383
Energy: 1.0406837577401709
Energy: 0.9657598628291609
Energy: 0.9657801338299474
Energy: 1.0411996353433346
Energy: 0.9696968108634751
Energy: 1.008316892951328
Energy: 1.0231916702475434
Energy: 1.0077763396765569
Energy: 1.0093458446415315
Energy: 1.026737323660754
Energy: 1.010939622694555
Energy: 1.0492590790922753
Energy: 1.0232845373525592
Energy: 1.062685339766737
Energy: 1.0552959888442919
Energy: 1.0416420854427548
Energy: 1.0617426363277536
Energy: 1.046032989306885
Energy: 1.0651025286421851
Energy: 1.0086044272676689
Energy: 1.0722100299340704
Energy: 1.0837199443662069
Energy: 1.0708067590070232
Energy: 1.072053634887447
Energy: 1.1900380422159542
Energy: 1.0733262291933954
Energy: 1.1024490198568861
Energy: 1.0747656913399006
Energy: 1.0737059991165472
Energy: 1.0735331791015479
Energy: 1.0648617275818641
Energy: 1.0735824307232391
Energy: 1.074650581378919
Energy: 1.065372204243954
Energy: 1.0732561479852059
Energy: 1.075448903502391
Energy: 1.194391419156787
Energy: 1.0200338583570632
Energy: 1.0192883197093632
Energy: 1.1947241901851757
Energy: 1.0197113925040784
Energy: 1.0615045862487054
Energy: 1.0224327268037405
Energy: 1.0224092236536146
Energy: 1.0615809193698542
Energy: 1.017808400896633
Energy: 1.0382638039009162
Energy: 1.062884731922866
Energy: 0.9678481252886594
Energy: 1.0239047841425646
Energy: 0.966203111678624
Energy: 1.0080275670404364
Energy: 1.0446962578718006
Energy: 0.9666504024465017
Energy: 0.9671728794585851
Energy: 1.0242236739361021
Energy: 0.9666872461402237
Energy: 0.9662509837295292
Energy: 1.0527173651782578
Energy: 0.9671782546505756
Energy: 1.0221236570745251
Energy: 1.0227114968917883
Energy: 1.0610874734670885
Energy: 1.0178995171706575
Energy: 1.0367212664662
Energy: 1.0233719911577066
Energy: 1.0621741138958474
Energy: 1.0157517460142655
Energy: 1.013926026728515
Energy: 1.0622832815826455
Energy: 1.0138968767316745
Energy: 1.0457314184480917
Energy: 1.0555391994191485
Energy: 1.0706386835091537
Energy: 1.0753424737367194
Energy: 1.0556128131297609
Energy: 1.0236989530802145
Energy: 1.0700727001392398
Energy: 1.058211464397969
Energy: 1.0738367069386043
Energy: 1.0775077157777972
Energy: 1.075770487328994
Energy: 1.0734294849397847
Energy: 1.0774468233437866
Energy: 1.0594141137844626
Energy: 1.0458826986394096
Energy: 1.0733424991870861
Energy: 1.0841383870273709
Energy: 1.1052900582768301
Energy: 1.074575513799501
Energy: 1.1992806752875231
Energy: 1.1307564441241365
Energy: 1.110502551742675
Energy: 0.9998804316834333
Energy: 1.191447391503807
Energy: 1.109677576788166
Energy: 1.0441559694135023
Energy: 1.1108836668788977
Energy: 1.1085300250023518
Energy: 1.003769211655003
Energy: 1.1352335441801658
Energy: 1.0449772780670614
Energy: 1.0338687567185334
Energy: 0.966073658083614
Energy: 1.0065823508712652
Energy: 1.041812407135779
Energy: 0.969060024445413
Energy: 1.0081703741271737
Energy: 1.0383435790786368
Energy: 0.9676677441430853
Energy: 0.9679411024188309
Energy: 1.038750366148355
Energy: 0.9673705579037668
Energy: 0.9698013536216165
Energy: 1.0343926294866777
Energy: 1.0075908044157889
Energy: 1.0521599695336419
Energy: 1.0442256365568572
Energy: 1.0121617703924533
Energy: 1.0070248299299382
Energy: 1.0234659994669792
Energy: 1.0344156269727203
Energy: 1.00717645504331
Energy: 1.0337388300206496
Energy: 1.1202141918243385
Energy: 1.0207190285416141
Energy: 1.0359914428637762
Energy: 1.006723066560338
Energy: 1.0067449081282658
Energy: 1.0458424016949475
Energy: 1.0409684016894247
Energy: 1.0485439232521687
Energy: 1.1923656272623795
Energy: 1.040154603495912
Energy: 1.042087228265315
Energy: 1.0637856102563334
Energy: 1.0451736896177317
Energy: 1.0408975131109746
Energy: 1.048109576714583
Energy: 1.0483297320506784
Energy: 1.0478032052813906
Energy: 1.039345518598931
Energy: 1.0457114678317385
Energy: 1.0464136612253632
Energy: 1.046628488031177
Energy: 1.0462675509343613
Energy: 1.0747798109661528
Energy: 1.046388041930683
Energy: 1.0002363537278836
Energy: 1.077789220344852
Energy: 1.1862740257686792
Energy: 1.0282756803881385
Energy: 1.0198459957943946
Energy: 1.1777515286402942
Energy: 1.0006177412005441
Energy: 1.1335676737770888
Energy: 1.0376792834553439
Energy: 1.0630033504565515
Energy: 1.065021339205911
Energy: 1.0463682865090016
Energy: 1.0136210776068568
Energy: 1.0736243675945423
Energy: 1.1958114895836023
Energy: 1.054301568953023
Energy: 1.030591742090779
Energy: 0.9975311116394566
Energy: 1.0950958644134574
Energy: 1.0320313023883474

minimum gb energy = 0.9657598628291609 eV
minimum distance =  2.30532626625333 Angstroms
sigma value = 43


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

Energy: 1.7684156341320338
Energy: 1.2112753610293372
Energy: 1.119190012596739
Energy: 1.0475555675440296
Energy: 1.1922498562693116
Energy: 1.0471646213092687
Energy: 1.0032428721829336
Energy: 1.028887251610456
Energy: 1.0125637854053864
Energy: 1.0745018790794212
Energy: 1.0209794666342769
Energy: 1.0185258440485454
Energy: 1.0253858514509877
Energy: 1.0020067529161993
Energy: 1.0017403088775978
Energy: 1.0708874362965697
Energy: 1.002751019927917
Energy: 1.0186972183262506
Energy: 1.0194428500815742
Energy: 1.003811208774281
Energy: 1.0191596192132422
Energy: 1.0193900726807201
Energy: 1.059802871721973
Energy: 1.018716492684509
Energy: 1.0195405849671595
Energy: 1.0473797719314974
Energy: 1.0477398525612187
Energy: 1.0190444383768638
Energy: 1.0459919049748323
Energy: 1.0608723443137629
Energy: 1.0201304401477842
Energy: 1.0605011928735533
Energy: 1.0490831839333725
Energy: 1.0481458432045052
Energy: 1.0205115815204238
Energy: 1.049381445781403
Energy: 1.020641337227097
Energy: 1.0194026957556424
Energy: 1.0194838337683374
Energy: 1.0200593159798683
Energy: 1.0194960202557504
Energy: 1.0204934931151908
Energy: 1.109334833177593
Energy: 1.023666613944869
Energy: 1.021930205698811
Energy: 1.0118738683996964
Energy: 1.024535939447507
Energy: 1.0215354110102184
Energy: 1.0168434341751103
Energy: 1.0199085342741114
Energy: 1.0200560903094231
Energy: 1.0178709037831268
Energy: 1.0191954009702902
Energy: 1.0201076213701563
Energy: 1.1675377971332666
Energy: 1.0207310449483833
Energy: 1.0205193062069564
Energy: 1.0204013123253437
Energy: 1.0209209657139322
Energy: 1.020625575034593
Energy: 1.011888773859176
Energy: 1.0130057812354054
Energy: 1.0576666069628835
Energy: 1.018160802826708
Energy: 1.0315260895733005
Energy: 1.0120169989849641
Energy: 1.0401983997711841
Energy: 1.0190537277913185
Energy: 1.0188646989457355
Energy: 1.002727421090052
Energy: 1.0205415382338814
Energy: 1.0187168028712188
Energy: 1.0387534137980625
Energy: 1.0188815652343162
Energy: 1.035626175861256
Energy: 1.0060083366479975
Energy: 1.0194820085732001
Energy: 1.0352444951147262
Energy: 1.0117528505466833
Energy: 1.0197984539912424
Energy: 1.0146831906499136
Energy: 1.0185787267158624
Energy: 1.0197547300074596
Energy: 1.012836504126939
Energy: 1.011989394473865
Energy: 1.0104979382979566
Energy: 1.0097902540584534
Energy: 1.0125047840353447
Energy: 1.0012921655039648
Energy: 1.019356879583774
Energy: 1.0117283863323652
Energy: 1.0631050465536227
Energy: 1.021107820444669
Energy: 1.011739761383951
Energy: 1.0342847964680035
Energy: 1.0119775599930136
Energy: 1.0154804000834747
Energy: 1.0131253790448937
Energy: 1.0128736466044426
Energy: 1.0153040252177956
Energy: 1.0206748866832553
Energy: 1.0130588429069707
Energy: 1.0151996770376766
Energy: 1.0127894904425179
Energy: 1.0121215080668993
Energy: 1.0568147091854385
Energy: 1.0134623314534037
Energy: 1.0119241135525014
Energy: 1.0238575227012663
Energy: 1.01294577085156
Energy: 1.0120863575600336
Energy: 1.0274779972954946
Energy: 1.012529908255812
Energy: 1.0193300035469206
Energy: 1.0228610684223882
Energy: 1.0126379363693943
Energy: 1.0120165653808118
Energy: 1.021511496831374
Energy: 1.0125986852831323
Energy: 1.0190258394312395
Energy: 1.013370477411086
Energy: 1.030362379069439
Energy: 1.058772221433325
Energy: 1.0554701990244693
Energy: 1.0374560560761523
Energy: 1.0120053816901153
Energy: 1.1563752042524365
Energy: 1.0375039176291387
Energy: 1.0379274502996512
Energy: 1.1567068049853453
Energy: 1.0058039315486593
Energy: 1.1750503195112187
Energy: 1.0571453622748637
Energy: 1.0139653453071344
Energy: 1.0134059669330502
Energy: 1.0356021149139203
Energy: 1.037598985419493
Energy: 1.0118291734428662
Energy: 1.1476744288196987
Energy: 1.0138793800390205
Energy: 1.0132529753462094
Energy: 1.016284092687365
Energy: 1.0127893617663757
Energy: 1.0128924684433147
Energy: 1.057364523300364
Energy: 1.011242120270098
Energy: 1.0113633454760464
Energy: 1.0326885255867464
Energy: 1.0111449750999995
Energy: 1.011660192646017
Energy: 1.07721301483415
Energy: 1.0133048998689915
Energy: 1.021601455632744
Energy: 1.0143376658217818
Energy: 1.0121293838775134
Energy: 1.011489897303385
Energy: 1.077570355075637
Energy: 1.011904070729195
Energy: 1.021328798283077
Energy: 1.0194993149262783
Energy: 1.0284393833292351
Energy: 1.0211444412032677
Energy: 1.0919565241138574
Energy: 1.0201962738138668
Energy: 1.0117655109833332
Energy: 1.0205204641062322
Energy: 1.0291102228653113
Energy: 1.0194758142220968
Energy: 1.0298059427346642
Energy: 1.0189576583931448
Energy: 1.019251831254468
Energy: 1.0297210202385738
Energy: 1.012223618692512
Energy: 1.0194095372135255
Energy: 1.0191839312710755
Energy: 1.0286981101933939
Energy: 1.013652942631617
Energy: 1.077286300822281
Energy: 1.0191239172594355
Energy: 1.0197334267959335
Energy: 1.006385738561234
Energy: 1.0975540389237122
Energy: 1.0729734257255301
Energy: 1.0370450079587972
Energy: 1.1694937293498022
Energy: 1.072850764610503

minimum gb energy = 1.0012921655039648 eV
minimum distance =  2.28860822472048 Angstroms
sigma value = 57


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

Energy: 1.360494845000858
Energy: 1.0563781644019135
Energy: 1.0568697962013531
Energy: 1.0277718648478726
Energy: 1.2043445758163367
Energy: 1.0565025005883912
Energy: 0.9635325605349919
Energy: 1.019956061447944
Energy: 1.0174236445468605
Energy: 1.0317169553015533
Energy: 1.0311995731141363
Energy: 1.0200118013744102
Energy: 1.0124645366603258
Energy: 0.9781001051143866
Energy: 0.9707110077697573
Energy: 1.0168089911578237
Energy: 0.9642211474655561
Energy: 0.9642193117167966
Energy: 1.0157911319069186
Energy: 0.977695539449219
Energy: 0.96296190401223
Energy: 1.0158145871261182
Energy: 0.9660286861315283
Energy: 1.0172940629984155
Energy: 1.0169737932536789
Energy: 1.0137312190920362
Energy: 1.0120853487384687
Energy: 1.0180038066883996
Energy: 1.0165692857719617
Energy: 1.0120138851492537
Energy: 0.9774914814806686
Energy: 1.0120976952653433
Energy: 1.0085160643669016
Energy: 1.0175669587996639
Energy: 1.0199730589396818
Energy: 1.0087147285054032
Energy: 1.0324407061652905
Energy: 1.0152293296904285
Energy: 1.0158722363195947
Energy: 1.0318211476981585
Energy: 1.015884262534674
Energy: 1.019012458254026
Energy: 1.0312562528640326
Energy: 1.0136748541590908
Energy: 1.0114071008744612
Energy: 1.0131871169056177
Energy: 1.0151614581946864
Energy: 1.016013511778395
Energy: 1.030783722227096
Energy: 1.0174496143201506
Energy: 1.0197127177640364
Energy: 1.0319123253559943
Energy: 1.0197741609541449
Energy: 1.023956473621164
Energy: 1.1320635150576828
Energy: 1.0117799003298613
Energy: 1.0101830584289342
Energy: 1.1322647581652587
Energy: 1.0200147720573398
Energy: 1.0130936876989913
Energy: 1.0206642998282458
Energy: 1.0097631991946519
Energy: 1.0151276684014587
Energy: 1.027029190018537
Energy: 1.0178121726706837
Energy: 1.0163494874197805
Energy: 0.9636639849954328
Energy: 1.0167649268013879
Energy: 1.0157832868332806
Energy: 0.9668653019304838
Energy: 1.0265920977792595
Energy: 1.0543500783605357
Energy: 0.9629006818540903
Energy: 1.0197345552781734
Energy: 1.0545396518065375
Energy: 0.9764479786822737
Energy: 1.0293738645217454
Energy: 1.0538866550242847
Energy: 1.019289650666384
Energy: 1.0350950854544951
Energy: 1.0229804157700866
Energy: 1.0302291538355255
Energy: 1.0315912890277614
Energy: 1.0129319006190514
Energy: 1.0268399188969286
Energy: 0.9684723844942431
Energy: 0.9706903461854578
Energy: 1.0219604280249472
Energy: 0.9672857626671933
Energy: 0.9700981813023695
Energy: 1.016632298441173
Energy: 1.0125834561448772
Energy: 1.0107727998077825
Energy: 1.0181283047455187
Energy: 1.0272660106384348
Energy: 1.015997875721779
Energy: 1.0260825853553721
Energy: 1.0119411833992815
Energy: 1.009456076699431
Energy: 1.0170375361630077
Energy: 1.011619609932771
Energy: 1.0170104476068638
Energy: 1.0176126697737575
Energy: 1.0120950632734151
Energy: 1.0089542267414218
Energy: 1.0145490628816598
Energy: 1.0181187161962337
Energy: 1.010775365918747
Energy: 1.0325324636943338
Energy: 1.0163591958608627
Energy: 1.0166024228164439
Energy: 1.021519166578497
Energy: 1.0163040531821033
Energy: 1.0227029456583403
Energy: 1.0325020668473253
Energy: 1.0167229084671476
Energy: 1.0158181523463825
Energy: 1.0074990707673723
Energy: 1.0180853529780043
Energy: 1.0224347538330343
Energy: 1.029670633203282
Energy: 1.0363811450237475
Energy: 1.0142629179110616
Energy: 1.0305623063200078
Energy: 1.0363627272484999
Energy: 1.013929437914765
Energy: 1.1254963195583287
Energy: 1.0132077034399827
Energy: 1.0140183610831004
Energy: 1.1252747916759465
Energy: 1.0089123454844493
Energy: 1.0162808578936666
Energy: 1.018940175818807
Energy: 1.0346104151672888
Energy: 1.032850764270735
Energy: 1.0307301089025729
Energy: 1.031650216150879
Energy: 1.0264836519667861
Energy: 0.9629671554563584
Energy: 1.0164863308069076
Energy: 1.0547226365273388
Energy: 0.9767325792227739
Energy: 1.0264565370130148
Energy: 1.0538907258480454

minimum gb energy = 0.9629006818540903 eV
minimum distance =  2.29984190049218 Angstroms
sigma value = 17


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

Energy: 1.562988520756285
Energy: 1.119218941794282
Energy: 1.1196640980427792
Energy: 1.0442229559641594
Energy: 1.051790631007873
Energy: 1.0424633094413316
Energy: 0.9669871823701403
Energy: 1.0744015286193649
Energy: 1.0773824381236017
Energy: 1.094910642379156
Energy: 1.0846439351030015
Energy: 1.0158922301019024
Energy: 1.3062671746677057
Energy: 0.9779938179165816
Energy: 0.9666943871797181
Energy: 1.0543638060611475
Energy: 0.9670649752347228
Energy: 0.9674008662339701
Energy: 1.0569201080297632
Energy: 0.9676097319134589
Energy: 0.9674029754819603
Energy: 1.0569730271295341
Energy: 0.9641969952783069
Energy: 1.0546986580047035
Energy: 0.9535937662885706
Energy: 0.9680599032107597
Energy: 0.9714747353725944
Energy: 0.9544472080357836
Energy: 0.9717467583944758
Energy: 0.971074175808376
Energy: 0.9678724309829861
Energy: 0.9467475899056172
Energy: 0.9500523870010095
Energy: 0.9535174801364711
Energy: 0.947923807977213
Energy: 0.9554106658888666
Energy: 0.9384723121110374
Energy: 0.9375249301869443
Energy: 0.9372649679620811
Energy: 0.9385568327241952
Energy: 0.9386038483310742
Energy: 0.9484351488046299
Energy: 0.9391679277190121
Energy: 0.9612343831630751
Energy: 0.9607785070274737
Energy: 0.9611553973983824
Energy: 0.9596664973129667
Energy: 0.9861538155828061
Energy: 0.9411831874745213
Energy: 0.9613537147226047
Energy: 0.958621772785065
Energy: 0.9385581716107069
Energy: 0.9672782867333125
Energy: 0.9395095487953157
Energy: 0.945442195038027
Energy: 0.9692017966965742
Energy: 0.9733438886505289
Energy: 0.9451393861414727
Energy: 0.9512374222466143
Energy: 0.9654737024484541
Energy: 0.955784444188035
Energy: 0.9694209624284092
Energy: 0.9690305525038032
Energy: 0.9719995517409238
Energy: 0.9538331474149433
Energy: 0.9695901563751037
Energy: 0.9533044964700416
Energy: 1.072086342112463
Energy: 1.0716833451483343
Energy: 0.9522442951727135
Energy: 1.0729305889507685
Energy: 1.0592904948444382
Energy: 0.952114623555115
Energy: 1.0548010592709536
Energy: 1.063458707686033
Energy: 0.9712033659467051
Energy: 1.0537578418192142
Energy: 1.0633782944838386
Energy: 1.0821905798959537
Energy: 1.0739308554151938
Energy: 1.0751055029425374
Energy: 1.0830612547486922
Energy: 1.0764288368677721
Energy: 1.0129727479225843
Energy: 1.055745729379151
Energy: 1.053176341988733
Energy: 1.0522903975796203
Energy: 1.0460216399017577
Energy: 1.0526943872048555
Energy: 1.0516645123187813
Energy: 1.0491826984509145
Energy: 1.0947629903164207
Energy: 1.0173649788967352
Energy: 1.0956283658161587
Energy: 1.0868387297228932
Energy: 1.073167948179834
Energy: 0.9069770238999617
Energy: 1.0550559253123828
Energy: 1.1212325803019918
Energy: 0.9180766124770812
Energy: 1.0554380135294867
Energy: 1.1214531850408966

minimum gb energy = 0.9069770238999617 eV
minimum distance =  2.29248358837279 Angstroms
sigma value = 17


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

Energy: 1.6546821528958697
Energy: 1.1991302613415855
Energy: 1.0147493343246823
Energy: 1.0118713083842283
Energy: 1.0774117380421124
Energy: 1.0143555321497673
Energy: 0.9648649661459613
Energy: 1.0647739997648178
Energy: 0.9339973819797333
Energy: 1.0627369034586662
Energy: 1.0661071696850624
Energy: 0.98590696865193
Energy: 1.255809521776466
Energy: 0.8668074230244641
Energy: 0.9583113826342688
Energy: 1.0633606012274794
Energy: 0.86666668600347
Energy: 0.9670959558013139
Energy: 1.0680621064816072
Energy: 0.9622269905013213
Energy: 0.9628018419457209
Energy: 1.0695533647076925
Energy: 0.8771053834696366
Energy: 0.9654350695600975
Energy: 0.9330704725142005
Energy: 0.9376610046760582
Energy: 0.9368422137819958
Energy: 0.933963632826469
Energy: 0.919770678605659
Energy: 0.9333473897890772
Energy: 0.8392909443092905
Energy: 0.9178296043561951
Energy: 0.8710500224675156
Energy: 0.8693460575871821
Energy: 0.9182400265905434
Energy: 0.8709826940776219
Energy: 0.8536532323382451
Energy: 0.9185293644391699
Energy: 0.9178900602409691
Energy: 0.8567964949168653
Energy: 0.9221292849699803
Energy: 0.9067194652786279
Energy: 0.8544406515391976
Energy: 0.8799392307310803
Energy: 0.8900336953327712
Energy: 0.9089088290607946
Energy: 0.8797141240762375
Energy: 0.8897958701515714
Energy: 0.8557372658004029
Energy: 0.8806455773629603
Energy: 0.884127829177468
Energy: 0.8573964130056062
Energy: 0.8728161522462781
Energy: 0.8553489965413723
Energy: 0.854541920740231
Energy: 0.8862131277664894
Energy: 0.8864671724722616
Energy: 0.8545512461735892
Energy: 0.8849139914077956
Energy: 0.8862823066550994
Energy: 0.8747477963167065
Energy: 0.8539816654423403
Energy: 0.8844822281659428
Energy: 0.8841661626666514
Energy: 0.8550341159075642
Energy: 0.8846017529010333
Energy: 0.8579600578976014
Energy: 0.8556510289707392
Energy: 0.8550993741642023
Energy: 0.8601338284588813
Energy: 0.8552480211468121
Energy: 0.8815311371478683
Energy: 0.8743077869014105
Energy: 0.8901641439588045
Energy: 0.8897137295456543
Energy: 0.8908448245323257
Energy: 0.8854154771399902
Energy: 0.8902797877950145
Energy: 0.9188284723598985
Energy: 0.9066010965399056
Energy: 0.8967023634314992
Energy: 0.9190992632172598
Energy: 0.8809758397735464
Energy: 0.9179869452436233
Energy: 0.9180041140287765
Energy: 0.898550329910077
Energy: 0.899311342257955
Energy: 0.9179157365619519
Energy: 0.8990904913212554
Energy: 0.9333417556123059
Energy: 1.0540748693272557
Energy: 0.9576899017356308
Energy: 0.9387094258350454
Energy: 0.9434863237466312
Energy: 0.934818736760599
Energy: 0.9380758959053904
Energy: 0.8549570875635306
Energy: 1.064452313591541
Energy: 1.0641683777388053
Energy: 0.857604527590085
Energy: 1.063599439274883
Energy: 0.9376407056392533
Energy: 0.8561640935206886
Energy: 1.062818985685408
Energy: 1.0591761783398475
Energy: 0.9376583826800022
Energy: 1.062823853314137
Energy: 0.9370666297561892
Energy: 1.1703940354641726
Energy: 1.0634999879520013
Energy: 1.006641362073726
Energy: 1.0638796544571754
Energy: 0.9873980049650039
Energy: 0.9394755438709991
Energy: 1.2583785317379608
Energy: 0.9358369821381637
Energy: 0.9354440514440922
Energy: 1.0641260051734376
Energy: 0.9179077338151116
Energy: 1.0678941262715644
Energy: 1.2393637486422266
Energy: 1.062827087800839
Energy: 1.0595561840460495
Energy: 1.0653265816087814
Energy: 1.0660147039944565
Energy: 1.0625851645773032
Energy: 0.8695197481595687
Energy: 1.069571388410677
Energy: 1.1582012115872593
Energy: 0.957060782693145
Energy: 1.0704734170497823
Energy: 0.9658571324488129
Energy: 0.8739331489583029
Energy: 1.064799092361732
Energy: 1.0593350836900481
Energy: 0.8758464802861099
Energy: 1.0686885845010614
Energy: 1.0337575465966236
Energy: 1.238221739630142
Energy: 0.9573960731693912
Energy: 0.9356671648667205
Energy: 1.0652397620461913
Energy: 0.8687914168203277
Energy: 1.0635337748908094
Energy: 1.0627873947489854
Energy: 0.8684784997379076
Energy: 0.9591048763436278
Energy: 1.062567400777793
Energy: 0.8675694639475339
Energy: 0.9675173937491685
Energy: 0.9369028678028319
Energy: 0.9374599745269176
Energy: 0.9413755626064547
Energy: 0.9373499067351857
Energy: 0.9197097221666574
Energy: 0.9387441138496543
Energy: 0.8378547185500381
Energy: 0.9466407213954697
Energy: 0.9142753654615963
Energy: 0.867162843815659
Energy: 0.9464444846296894
Energy: 0.8707430421570536
Energy: 0.8395014123276833
Energy: 0.9187414728659807
Energy: 0.9186776255197507
Energy: 0.8391723141415074
Energy: 0.920886782568538
Energy: 0.9182599556811117
Energy: 0.8550316986190082
Energy: 0.8931749563509679
Energy: 0.8944494976149859
Energy: 0.8887459302243237
Energy: 0.8722975178531206
Energy: 0.8945802274131847
Energy: 0.8556818695025404
Energy: 0.8796272517996652
Energy: 0.8913764726420034
Energy: 0.8558185371568181
Energy: 0.8798127412428102
Energy: 0.8898134495861735
Energy: 0.8617273725685014
Energy: 0.8852623473887169
Energy: 0.8847915311540755
Energy: 0.8550499472057482
Energy: 0.8817587318245698
Energy: 0.874531635237374
Energy: 0.8555288582210457
Energy: 0.8820175187561183
Energy: 0.8856481805623126
Energy: 0.8835561300265399
Energy: 0.8897309777577855
Energy: 0.8824619714666909
Energy: 0.8695341152590919
Energy: 0.8552959123087879
Energy: 0.8553186090413337
Energy: 0.8698898282585155
Energy: 0.8560877876307226
Energy: 0.8551909862467649
Energy: 0.8716005952674677
Energy: 0.9033196172212501
Energy: 0.8937932733609926
Energy: 0.8909399302091671
Energy: 0.881396775839823
Energy: 0.8940816802990891
Energy: 0.9184539835419078
Energy: 0.8917250841158588
Energy: 0.8925717710191635
Energy: 0.9185626214038325
Energy: 0.8830056691274542
Energy: 0.894811613532098
Energy: 0.918981184695585
Energy: 0.8920883435713146
Energy: 0.9394685628807974
Energy: 0.9192888918320324
Energy: 0.8920405153541227
Energy: 0.9395819552357472
Energy: 1.1588778943820508
Energy: 0.9318330123399443
Energy: 0.9327212861057286
Energy: 0.9209565172762778
Energy: 0.857363467769329
Energy: 0.939790225335718
Energy: 0.8539393635520713
Energy: 1.06312718684622
Energy: 1.062465831574417
Energy: 0.9156361140760293
Energy: 1.0646707545210734
Energy: 0.939768101873841
Energy: 0.8546869750843294
Energy: 1.0588019362449996
Energy: 0.9453243746844007
Energy: 0.9176041407872169
Energy: 1.0573709992690796
Energy: 0.9516860927439662
Energy: 0.9185288910901094
Energy: 1.0629827616855538
Energy: 1.0641221376851797
Energy: 0.9349653054860804
Energy: 1.0684718942781002
Energy: 1.0001481655133273
Energy: 1.17836289455279
Energy: 0.9184528088468076
Energy: 1.052723028427994
Energy: 1.0666535363268708
Energy: 0.9188481307294477
Energy: 1.0627601542300247
Energy: 1.2347115038791954
Energy: 1.0013178219372045
Energy: 0.9338971881414606
Energy: 1.0664891992486267
Energy: 0.9351570333865123
Energy: 1.062398257608834
Energy: 0.8757560818852644
Energy: 1.0646815969899714
Energy: 1.059078524030592
Energy: 0.8778147863026163
Energy: 1.0680653490541432
Energy: 1.0357882355335164

minimum gb energy = 0.8378547185500381 eV
minimum distance =  2.29401548285601 Angstroms
sigma value = 57


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

Energy: 0.7999177612379682
Energy: 1.1142889469768784
Energy: 0.9783837034855469
Energy: 0.8321385013095904
Energy: 1.3695000864704343
Energy: 0.9600073857036441
Energy: 1.0595194591185642
Energy: 0.9072802322906968
Energy: 0.8897482632979917
Energy: 1.0405497190811333
Energy: 1.0342530079750665
Energy: 0.8835897647227141
Energy: 1.1944095858007326
Energy: 0.8257029215346888
Energy: 0.8564334144304395
Energy: 1.0418156855575842
Energy: 0.8555582553208683
Energy: 0.9405708920536432
Energy: 1.0353383498725184
Energy: 0.8258095943425817
Energy: 0.926501416276598
Energy: 1.0566110246839708
Energy: 0.8059113488623861
Energy: 0.9462958406259924
Energy: 0.8878140249778126
Energy: 0.9031601063039099
Energy: 0.8860206942292241
Energy: 0.8882282755586383
Energy: 0.9014659763364935
Energy: 0.881231367825169
Energy: 0.7791272363135108
Energy: 0.898616511303888
Energy: 0.8286603984350912
Energy: 0.8360177404138173
Energy: 0.89860711397125
Energy: 0.8272120947656434
Energy: 0.8222924195477288
Energy: 0.9065749069489234
Energy: 0.8983588734973447
Energy: 0.8313596092106103
Energy: 0.9044848693669691
Energy: 0.8430398782615558
Energy: 1.0569165466833235
Energy: 0.8233601106196631
Energy: 0.8227954597438573
Energy: 0.8447173209612863
Energy: 0.8228146793659373
Energy: 0.8394570054407751
Energy: 0.826666494225435
Energy: 0.8405954938913545
Energy: 0.8236068596276225
Energy: 0.828708580944738
Energy: 0.7898843364223219
Energy: 0.8229760372235275
Energy: 0.8231675791267863
Energy: 0.8270641949351625
Energy: 0.8276959181059975
Energy: 0.8232588269098624
Energy: 0.8270150054981174
Energy: 0.8191756980821924
Energy: 0.7959264096726006
Energy: 0.7883125922844839
Energy: 0.8170132957990313
Energy: 0.8136931792079181
Energy: 0.7893846887846209
Energy: 0.8172771154645112
Energy: 0.8285029533244372
Energy: 0.7890613784553603
Energy: 0.7883659242028463
Energy: 0.806987914817121
Energy: 0.7941488136895384
Energy: 0.8191924710903798
Energy: 0.7887013091567364
Energy: 0.8546807558549839
Energy: 0.8244939378664461
Energy: 0.820124931537519
Energy: 0.8268365404799861
Energy: 0.8251770186584707
Energy: 0.7891736660735553
Energy: 0.8191878380550671
Energy: 0.7886990567026118
Energy: 0.791627781674741
Energy: 0.8047923894174048
Energy: 0.7885247562712587
Energy: 0.7884375398048046
Energy: 0.8200758081116686
Energy: 0.8180735231363944
Energy: 0.7885819204189245
Energy: 0.8353032451929099
Energy: 0.8177051161291284
Energy: 0.8456848412506578
Energy: 0.8231545663524493
Energy: 0.8249313994243432
Energy: 0.8262012263741827
Energy: 0.8239803636376436
Energy: 0.8249643756013576
Energy: 0.7905047950727827
Energy: 0.8236574171495312
Energy: 0.822818541514951
Energy: 0.8450627703595418
Energy: 0.8327614392497115
Energy: 0.8406062958648292
Energy: 0.791952647058236
Energy: 0.8461803830086915
Energy: 0.8531274968838892
Energy: 0.7932173799073923
Energy: 0.8461585937765375
Energy: 0.8392935674786864
Energy: 0.8989014449813655
Energy: 0.8503122466715238
Energy: 0.8709246856503212
Energy: 0.9007461615313309
Energy: 0.8548536354324378
Energy: 0.8983272694591237
Energy: 1.0135011018282771
Energy: 0.8586883543874252
Energy: 0.8589750853690836
Energy: 0.8929595688246857
Energy: 0.8531366911186152
Energy: 0.8849793202930335
Energy: 1.1045862183508144
Energy: 0.9102328731539097
Energy: 0.8678366211275785
Energy: 0.8915271946078427
Energy: 0.9307536811623691
Energy: 0.9071619392541943
Energy: 0.7890557322606468
Energy: 1.032239312958838
Energy: 0.8982517585467656
Energy: 0.8433364507561001
Energy: 1.0331323140946849
Energy: 0.8950210274486183
Energy: 0.8286138693424733
Energy: 1.042136750457554
Energy: 1.01524317893687
Energy: 0.8302563877274706
Energy: 1.0374512155795208
Energy: 1.0119149866741293
Energy: 1.103775742254562
Energy: 0.8990200740637933
Energy: 0.8809130647402924
Energy: 0.9056781150869085
Energy: 0.8859883327231813
Energy: 0.8980441993689964
Energy: 1.2024948558434343
Energy: 0.8816455156356211
Energy: 0.8908766427593735
Energy: 1.0359444777706417
Energy: 0.8990894279527948
Energy: 1.031484446418228
Energy: 1.179253503275538
Energy: 1.0332632537035327
Energy: 1.0126598527250905
Energy: 1.0381432381244202
Energy: 1.0393302540528366
Energy: 0.9071707895138572
Energy: 0.7969035873623882
Energy: 1.0329379888759338
Energy: 0.9471349127994677
Energy: 0.8310404113056727
Energy: 1.0428218497904445
Energy: 0.941086521593056

minimum gb energy = 0.7791272363135108 eV
minimum distance =  2.29283676215414 Angstroms
sigma value = 43


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

Energy: 0.6963966961616863
Energy: 0.9620195540975317
Energy: 0.8663942350703744
Energy: 0.7529696995968771
Energy: 1.0603831574862272
Energy: 0.8307733076094047
Energy: 0.9961808928167826
Energy: 0.8047764518030697
Energy: 0.7699274023381006
Energy: 0.9209199057223705
Energy: 0.8061959071076753
Energy: 0.7513020282199839
Energy: 1.040231471485925
Energy: 0.7273603046517078
Energy: 0.7289090436985403
Energy: 0.9198673588261268
Energy: 0.7276197663759915
Energy: 0.7536936916634213
Energy: 0.9054496833318761
Energy: 0.7303562260047457
Energy: 0.7536116972280953
Energy: 0.8188467926308023
Energy: 0.7630533424085512
Energy: 0.8558481903476509
Energy: 0.8170039596259048
Energy: 0.8159554458643637
Energy: 0.7645958485187214
Energy: 0.8194608157552351
Energy: 0.8187745234694596
Energy: 0.7508109068201505
Energy: 0.6721340283047607
Energy: 0.8156538946765673
Energy: 0.7271693842861383
Energy: 0.7057579962438331
Energy: 0.8155536277927311
Energy: 0.7220846174704245
Energy: 0.9360621886442383
Energy: 0.8153769306330841
Energy: 0.8153428988292917
Energy: 0.7211199815219269
Energy: 0.8154103770143969
Energy: 0.7290629848127692
Energy: 0.9356729705737319
Energy: 0.7015429923871601
Energy: 0.7146200041758907
Energy: 0.7484397980894083
Energy: 0.701056437980387
Energy: 0.7142314443525355
Energy: 0.7517676576000755
Energy: 0.7141094261988868
Energy: 0.7486405623189326
Energy: 0.7538072078718061
Energy: 0.6884774677985914
Energy: 0.7483677479484426
Energy: 0.7254363511583872
Energy: 0.7071944543975
Energy: 0.7072669607836362
Energy: 0.7493469634287273
Energy: 0.7069148014866748
Energy: 0.7060464244860188
Energy: 0.6658249781970794
Energy: 0.7057301410755994
Energy: 0.7030657815269055
Energy: 0.6965567474040529
Energy: 0.7058658166824161
Energy: 0.6961036011475851
Energy: 0.7533782854924124
Energy: 0.706068054043949
Energy: 0.7055991871867517
Energy: 0.6998249125988943
Energy: 0.7062414982087571
Energy: 0.6997787999641232
Energy: 0.8914936496175634
Energy: 0.7398446871988966
Energy: 0.7508289003291507
Energy: 0.7480695382231294
Energy: 0.7182335263083441
Energy: 0.7507325862833732
Energy: 0.6807921806082132
Energy: 0.6961415728047066
Energy: 0.6802744806290465
Energy: 0.6827894009581313
Energy: 0.6685179548406962
Energy: 0.6802974577082177
Energy: 0.6804783613800262
Energy: 0.6893316223553646
Energy: 0.6885738948606919
Energy: 0.6802796685771102
Energy: 0.688182705320727
Energy: 0.6885375400863224
Energy: 0.6705047935492272
Energy: 0.6686454394181587
Energy: 0.6692502216547659
Energy: 0.6858790766300843
Energy: 0.6688781456871906
Energy: 0.6854202141916402
Energy: 0.6852014914924247
Energy: 0.6685525700655308
Energy: 0.6682718546684632
Energy: 0.6940477933102981
Energy: 0.668987712142229
Energy: 0.6924003128768421
Energy: 0.6689116589041197
Energy: 0.6923463013441525
Energy: 0.6915432582119129
Energy: 0.668657834672449
Energy: 0.7332601159202816
Energy: 0.692855033824863
Energy: 0.6687558895277176
Energy: 0.6892691805604519
Energy: 0.6685603283635642
Energy: 0.6699829669902093
Energy: 0.7887900883859735
Energy: 0.6685879684124263
Energy: 0.6688420104526871
Energy: 0.7000654092439523
Energy: 0.6995395306823268
Energy: 0.669007648283761
Energy: 0.7370943705393515
Energy: 0.7002701377073763
Energy: 0.7098461047728694
Energy: 0.6804901420505408
Energy: 0.680204640501106
Energy: 0.7207838482045094
Energy: 0.6807437298536141
Energy: 0.6997233484797756
Energy: 0.670680669046832
Energy: 0.6804837987230713
Energy: 0.6820526580300508
Energy: 0.6906098785611263
Energy: 0.6808941849626151
Energy: 0.6902630220226548
Energy: 0.7062331397424153
Energy: 0.6943156275210356
Energy: 0.694177550609808
Energy: 0.7058780214486153
Energy: 0.6932205620820056
Energy: 0.6934630613673685
Energy: 0.706074543722233
Energy: 0.7094186911882722
Energy: 0.70576966933869
Energy: 0.7083948800125544
Energy: 0.6806382557894752
Energy: 0.7058440250536743
Energy: 0.9091218471092539
Energy: 0.7238616482076339
Energy: 0.702851025597681
Energy: 0.7024960380974133
Energy: 0.723201003340185
Energy: 0.702591646398081
Energy: 0.8498686929783894
Energy: 0.7485183583110602
Energy: 0.7482528676796224
Energy: 0.7047269887021284
Energy: 0.7485644597648845
Energy: 0.7039839407149225
Energy: 0.6697211758683003
Energy: 0.7486485235286744
Energy: 0.7203509875965837
Energy: 0.7021463246063347
Energy: 0.7483517438943205
Energy: 0.7082932661985972
Energy: 0.7490411619702081
Energy: 0.7481540506521633
Energy: 0.7344396489465095
Energy: 0.7753592902038371
Energy: 0.7490198728631283
Energy: 0.7289716397949805
Energy: 0.8189386260898952
Energy: 0.7323111141079662
Energy: 0.8152884071077937
Energy: 0.8208333400131738
Energy: 0.7060044234507394
Energy: 0.8153096575906771
Energy: 0.9753854889329596
Energy: 0.7148174602397179
Energy: 0.7353364984559687
Energy: 0.8168729874094753
Energy: 0.7143874138342085
Energy: 0.7230959281575351
Energy: 0.9730885298880535
Energy: 0.8046817937162926
Energy: 0.8060359565316275
Energy: 0.8160148261012523
Energy: 0.8104285060128436
Energy: 0.8021515731249729
Energy: 0.6826141488593856
Energy: 0.9201837452554071
Energy: 0.7672624626309109
Energy: 0.7263085789193594
Energy: 0.9199887905988922
Energy: 0.7365326939119823
Energy: 0.9023078479462167
Energy: 0.8813274664974033
Energy: 0.8279496188411064
Energy: 0.826143668554877
Energy: 0.9231204764969272
Energy: 0.8471452038158007
Energy: 0.9753789563789224
Energy: 0.7713393700173052
Energy: 0.7958310497527498
Energy: 0.8189340275469047
Energy: 0.7241151993884556
Energy: 0.885122869050645
Energy: 1.0424357361652474
Energy: 0.7357573002956077
Energy: 0.7966898722157401
Energy: 0.9201684596782022
Energy: 0.7358911046324365
Energy: 0.796419007640642
Energy: 0.9961808929708774
Energy: 0.8852116094706033
Energy: 0.8284195946349078
Energy: 0.9207543964836624
Energy: 0.9238942363378541
Energy: 0.7684119971608123

minimum gb energy = 0.6658249781970794 eV
minimum distance =  2.33065909252192 Angstroms
sigma value = 81


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

Energy: 0.05811893961707516
Energy: 0.11507282360067757
Energy: 0.05856263761254557
Energy: 0.06069773766796786
Energy: 0.05927650179820943
Energy: 0.059091773743858475
Energy: 0.11578486189443551
Energy: 0.05929752587277567
Energy: 0.05943992414507004
Energy: 0.11355781481994334
Energy: 0.060526841614869695
Energy: 0.05984077051418106
Energy: 0.11376183827148906
Energy: 0.05874985531856529
Energy: 0.05905742339095309
Energy: 0.11332072471431534
Energy: 0.058783607809245714
Energy: 0.11462134225908381
Energy: 0.06330530342734542
Energy: 0.058921527194204196
Energy: 0.058874004845491844
Energy: 0.05993186223041092
Energy: 0.05900353343567763
Energy: 0.11521623472497974
Energy: 0.1144950880796852
Energy: 0.11361624915878638
Energy: 0.11380841544688218
Energy: 0.11576090169802791
Energy: 0.11355135371395517
Energy: 0.11349245705271083
Energy: 0.05984617529918396
Energy: 0.05954409005047855
Energy: 0.05894283719357041
Energy: 0.05840021327990752
Energy: 0.05965561660467647
Energy: 0.05881813346113547
Energy: 0.11382000445245441
Energy: 0.05934058317188987
Energy: 0.05958748393097617
Energy: 0.11361229674364581
Energy: 0.059264469263202973
Energy: 0.05923811917294631
Energy: 0.11358474428477748
Energy: 0.05868700682504393
Energy: 0.058902616284094066
Energy: 0.11374519679897795
Energy: 0.058822655602950316
Energy: 0.1153183340462391
Energy: 0.060645367871879824
Energy: 0.0591774126996489
Energy: 0.1151682668115106
Energy: 0.062416431126034025
Energy: 0.0590378781368898
Energy: 0.11621190781424064
Energy: 0.0585967804491351
Energy: 0.11324382264654326
Energy: 0.11329940124773577
Energy: 0.058484841918126126
Energy: 0.11323095005388527
Energy: 0.11320517744811247

minimum gb energy = 0.05811893961707516 eV
minimum distance =  2.46641793049631 Angstroms
sigma value = 3


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

Energy: 0.8677966418757874
Energy: 0.8801959720793289
Energy: 0.8452446656830459
Energy: 0.8136308309019061
Energy: 0.8429776688604351
Energy: 0.7769291539509544
Energy: 0.8550936168837168
Energy: 0.8389594822024455
Energy: 0.8395350988409476
Energy: 0.8412878274863312
Energy: 0.8416689851602147
Energy: 0.8427481316418677
Energy: 0.8624956649484988
Energy: 0.7856797900119683
Energy: 0.7856241010754911
Energy: 0.8412335581908418
Energy: 0.7865006898457103
Energy: 0.830025424553791
Energy: 0.806030617071863
Energy: 0.7850741982704473
Energy: 0.7852325634026299
Energy: 0.8060453589517959
Energy: 0.7258245727527914
Energy: 0.830450234237712
Energy: 0.7363219009430431
Energy: 0.8399279467068711
Energy: 0.8434250899342149
Energy: 0.7363271406001785
Energy: 0.8409353509224312
Energy: 0.8448358977201347
Energy: 0.8018411899967149
Energy: 0.8429200724839878
Energy: 0.7986865783075974
Energy: 0.683542621352242
Energy: 0.842954251176831
Energy: 0.7257748705272007
Energy: 0.8279520549014471
Energy: 0.7467731834052338
Energy: 0.7489348441850874
Energy: 0.8289765707407598
Energy: 0.7520492061569246
Energy: 0.842638408270664
Energy: 0.8067466822408664
Energy: 0.7380863303778057
Energy: 0.7373763890338297
Energy: 0.8068323494817683
Energy: 0.726053178443077
Energy: 0.7364382004213845
Energy: 0.8258535949374844
Energy: 0.7367734085572201
Energy: 0.829694057812049
Energy: 0.7589713628343251
Energy: 0.6899301746915336
Energy: 0.8297614836014883
Energy: 0.6979845678424411
Energy: 0.7466983654651338
Energy: 0.7460237689388384
Energy: 0.6979502916666259
Energy: 0.7502132870454918
Energy: 0.7699846386397617
Energy: 0.7875440612513136
Energy: 0.7720610874533167
Energy: 0.7489018270726424
Energy: 0.6579628895839433
Energy: 0.7934908018765322
Energy: 0.6918435228959188
Energy: 0.696102139951127
Energy: 0.809133322477317
Energy: 0.7650107813600208
Energy: 0.6960348904461423
Energy: 0.6970745767544809
Energy: 0.6953554356932315
Energy: 0.6965431853672971
Energy: 0.7560278522821903
Energy: 0.6986569080639818
Energy: 0.6971674869398881
Energy: 0.6433760686756111
Energy: 0.6987738957795823
Energy: 0.7785200174150452
Energy: 0.7268825894584658
Energy: 0.7773059386817854
Energy: 0.7012148944528773
Energy: 0.6635952559687839
Energy: 0.7804962720286449
Energy: 0.7729928983339742
Energy: 0.6620011683423457
Energy: 0.66171986619754
Energy: 0.7729070562831213
Energy: 0.6652917580993474
Energy: 0.6621473728098998
Energy: 0.7727422420816177
Energy: 0.7234490559213541
Energy: 0.7617340515491409
Energy: 0.7650196679714398
Energy: 0.7676229939020089
Energy: 0.7598008833275929
Energy: 0.6445382290210798
Energy: 0.7620827279057119
Energy: 0.7613291574667409
Energy: 0.6446060577450834
Energy: 0.6651529678916966
Energy: 0.6446111021552915
Energy: 0.6450985050159179
Energy: 0.7537726956725455
Energy: 0.7539826858210817
Energy: 0.6453724947171392
Energy: 0.647951214246311
Energy: 0.7549840653948802
Energy: 0.7628306420155134
Energy: 0.709093650633878
Energy: 0.7535707799006895
Energy: 0.6468976838760248
Energy: 0.6475148822245949
Energy: 0.7534551634476295
Energy: 0.7664286069399276
Energy: 0.6445527143656596
Energy: 0.6443395287479693
Energy: 0.768122397554689
Energy: 0.651218068863681
Energy: 0.6446869371317072
Energy: 0.7666578939758792
Energy: 0.7604133785843298
Energy: 0.7625081823579486
Energy: 0.7641412310926761
Energy: 0.7841645323978409
Energy: 0.7615478160915881
Energy: 0.6635278000104822
Energy: 0.7604823980723784
Energy: 0.7118622849399194
Energy: 0.6625384571708343
Energy: 0.7606753166530497
Energy: 0.6622010348874755
Energy: 0.6619882398715932
Energy: 0.7836718901242162
Energy: 0.7001234708143206
Energy: 0.662044132358096
Energy: 0.6994967887768552
Energy: 0.7002292089598927
Energy: 0.7778317999768343
Energy: 0.6995703143528529
Energy: 0.6990589842375371
Energy: 0.6492192919521118
Energy: 0.6980541551875744
Energy: 0.7610020685409503
Energy: 0.7297419578988458
Energy: 0.6960573872551625
Energy: 0.6957763906432436
Energy: 0.7291918602660185
Energy: 0.6967122140034464
Energy: 0.695864264490885
Energy: 0.7989466906164899
Energy: 0.718036412225793
Energy: 0.7170923121959603
Energy: 0.7936167301707501
Energy: 0.7568116655432682
Energy: 0.7470812492541156
Energy: 0.7502327385567092
Energy: 0.7834782454194034
Energy: 0.7155743935759276
Energy: 0.7474540028940563
Energy: 0.8033832702464597
Energy: 0.7470911062124451
Energy: 0.7132396967224689
Energy: 0.7606481579330816
Energy: 0.8319935764192492
Energy: 0.7132115403203819
Energy: 0.768292295761332
Energy: 0.8315449442637545
Energy: 0.79553828024471
Energy: 0.8074069918887553
Energy: 0.7700240985390363
Energy: 0.6678154160016829
Energy: 0.8067160800787296
Energy: 0.7081982865861265
Energy: 0.7463790477068752
Energy: 0.8104867044866533
Energy: 0.807595754345209
Energy: 0.7465722373021576
Energy: 0.8073219026910399
Energy: 0.8317314035622424
Energy: 0.8086130071106825
Energy: 0.758881609919898
Energy: 0.7607333535202413
Energy: 0.8087512020368899
Energy: 0.6630281966901513
Energy: 0.7578112391985958
Energy: 0.8818238513447743
Energy: 0.8077352579897219
Energy: 0.8370482739371954
Energy: 0.8387471242242636
Energy: 0.7069111311212417
Energy: 0.8095767046307357
Energy: 0.7569767502483519
Energy: 0.806430761277184
Energy: 0.8053658933774789
Energy: 0.7569499796950537
Energy: 0.8074294926548562
Energy: 0.8013370973906709

minimum gb energy = 0.6433760686756111 eV
minimum distance =  2.28950141383456 Angstroms
sigma value = 67


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

Energy: 1.0275866652777779
Energy: 1.0392407010666704
Energy: 1.004150044678256
Energy: 0.8310923835549796
Energy: 1.0475663697632176
Energy: 1.0064854375060108
Energy: 0.9762885104043381
Energy: 1.0108749998094269
Energy: 1.000970979907921
Energy: 0.999737625225809
Energy: 1.0094779212488056
Energy: 0.9247068395891878
Energy: 1.0359133844524195
Energy: 0.9186794338003059
Energy: 0.9927012188644314
Energy: 0.9960167983774293
Energy: 0.9176347761610603
Energy: 0.9922970490567118
Energy: 0.9427137102299329
Energy: 0.9894216142715658
Energy: 0.9906258066985886
Energy: 0.9433451732204077
Energy: 0.8513792462322989
Energy: 0.9914296542585453
Energy: 0.9339359472461498
Energy: 1.01290472475364
Energy: 0.923192857683084
Energy: 0.9340063568558118
Energy: 1.0092295515656124
Energy: 0.9238694657766742
Energy: 0.9452512535817054
Energy: 0.9244653835869229
Energy: 0.9269452506291366
Energy: 0.8591164907709409
Energy: 0.9238154721234211
Energy: 0.9286440207075393
Energy: 0.9361881639764387
Energy: 0.8549035097528139
Energy: 0.8578519137542379
Energy: 0.9358716434197344
Energy: 0.85978145920133
Energy: 0.8559136606387623
Energy: 0.9389277930707238
Energy: 0.8214039808187688
Energy: 0.9377515482447872
Energy: 0.9381927571698169
Energy: 0.8121553943863046
Energy: 0.8609960088141329
Energy: 0.9523269183481594
Energy: 0.8560000167036276
Energy: 0.8588993977739441
Energy: 0.9558040876393963
Energy: 0.855175558001727
Energy: 0.8612375656496464
Energy: 0.8877106675039792
Energy: 0.8622110037275957
Energy: 0.8568111445710475
Energy: 0.8874871872022622
Energy: 0.858898196624613
Energy: 0.8574641402036499
Energy: 0.8127712336760189
Energy: 0.89139346092676
Energy: 0.8583075991612784
Energy: 0.8126222222773424
Energy: 0.9306281364911276
Energy: 0.9390411192490334
Energy: 0.811822126067249
Energy: 0.8922675463402426
Energy: 0.9379784603668351
Energy: 0.8117273325143076
Energy: 0.8883068447901394
Energy: 0.8102119905073389
Energy: 0.8113541674627379
Energy: 0.808621890636558
Energy: 0.9278418899318951
Energy: 0.811303296979732
Energy: 0.8147817065835732
Energy: 0.8100013625146952
Energy: 0.9264183247791898
Energy: 0.8845391755968269
Energy: 0.9281082491484605
Energy: 0.8118932236494459
Energy: 0.8746900584644565
Energy: 0.9274416825473423
Energy: 0.9279957003847572
Energy: 0.8158125450130749
Energy: 0.811329790494222
Energy: 0.926837580731519
Energy: 0.8125253940764512
Energy: 0.8111164259006584
Energy: 0.9282309396002104
Energy: 0.9473694084362375
Energy: 0.9414911198921326
Energy: 0.883251010290507
Energy: 0.8831168557099267
Energy: 0.9385556639306303
Energy: 0.863644173396679
Energy: 0.7958972496749557
Energy: 0.9259377527341144
Energy: 0.8647542345381138
Energy: 0.8012483683023733
Energy: 0.855994902850899
Energy: 0.8569809010066711
Energy: 0.9654603708187945
Energy: 0.8585207147863915
Energy: 0.857171888807594
Energy: 0.8622487438961055
Energy: 0.8554138143144941
Energy: 0.9265780461218986
Energy: 0.9535402698654598
Energy: 0.8888148156964523
Energy: 0.8268826190467803
Energy: 0.9534481324407557
Energy: 0.8910570518435861
Energy: 0.8586873153002563
Energy: 0.9415538850650511
Energy: 0.8614212018120497
Energy: 0.8590209475402474
Energy: 0.9390455020792503
Energy: 0.8604215683576832
Energy: 0.9382266883956991
Energy: 0.9551490635078812
Energy: 0.8203709324810085
Energy: 0.9380244834152897
Energy: 0.9745478923299324
Energy: 0.8198997852915487
Energy: 1.0347794389753409
Energy: 0.9002337756816745
Energy: 0.8205745436924479
Energy: 0.9961495495220558
Energy: 0.8978879519399935
Energy: 0.8204897147037646
Energy: 0.9762515053579389
Energy: 0.9459728779557658
Energy: 0.9363548398970554
Energy: 0.9768528591339302
Energy: 0.9416191085531938
Energy: 0.8711317328269104

minimum gb energy = 0.7958972496749557 eV
minimum distance =  2.2868690501385 Angstroms
sigma value = 33


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

Energy: 1.2351350947336415
Energy: 1.1774767648037405
Energy: 1.0690869336719966
Energy: 0.8962067038638392
Energy: 1.1687153690419283
Energy: 1.1281077314592673
Energy: 1.1291203283330582
Energy: 0.983673036796587
Energy: 0.9806224325948767
Energy: 1.0392292969810508
Energy: 0.9808739969704984
Energy: 0.9421267150266647
Energy: 1.222303264648708
Energy: 1.0062112808408727
Energy: 1.1432079746824042
Energy: 1.0398374843866323
Energy: 1.0809478365939695
Energy: 1.1443858319150606
Energy: 1.1245212580265334
Energy: 1.145086062518159
Energy: 0.9701735340159435
Energy: 1.1258934518597585
Energy: 1.0395805151860151
Energy: 1.0848652581137255
Energy: 1.0712213604785328
Energy: 0.9819433849797188
Energy: 0.941746585327459
Energy: 1.0723277769653816
Energy: 0.9916567314642861
Energy: 0.9428790316438347
Energy: 1.1303095399791419
Energy: 1.0313461292763935
Energy: 1.0309123639400477
Energy: 0.9863770650654343
Energy: 1.0305179023503266
Energy: 0.9798523705161571
Energy: 1.0715464478309744
Energy: 1.031424808341905
Energy: 1.0302645423824777
Energy: 1.0726577131848165
Energy: 1.0323693967694207
Energy: 0.9976517179260724
Energy: 1.071884941141136
Energy: 1.0627900170820368
Energy: 1.0805990164558705
Energy: 1.0728275074211246
Energy: 1.0581495715921738
Energy: 0.999914507615431
Energy: 1.1102818251219742
Energy: 1.0421523190027602
Energy: 1.0511739859626537
Energy: 0.9930880567828314
Energy: 0.9855601831549189
Energy: 1.054421689664322
Energy: 1.1115283896176518
Energy: 0.9859684480640156
Energy: 0.9858729117797492
Energy: 1.1132900388624474
Energy: 0.9875690102839143
Energy: 0.9852449821320625
Energy: 1.0307209993161324
Energy: 1.0146440120734048
Energy: 1.0226337829502163
Energy: 1.0336259143997926
Energy: 1.0438143478392763
Energy: 1.0425047955720512
Energy: 0.9876857003939447
Energy: 1.0549913416028323
Energy: 1.0670660634809104
Energy: 0.9872884456489849
Energy: 1.0150899450781292
Energy: 0.9873226428097761
Energy: 0.9879648405374756
Energy: 0.9990244682137743
Energy: 1.1130508533183303
Energy: 0.9876387166997005
Energy: 0.9994728668998952
Energy: 0.9873522946134188
Energy: 0.9283382397637784
Energy: 0.997047672669845
Energy: 1.0505514708151442
Energy: 0.9631598298663905
Energy: 1.043521491569458
Energy: 1.0378738176341429
Energy: 0.9298512079325921
Energy: 1.083565713637867
Energy: 1.081243967175827
Energy: 0.9292187387935954
Energy: 1.084336712350635
Energy: 1.080216266684592
Energy: 1.0045784935947708
Energy: 0.947942671145832
Energy: 0.9807195662563454
Energy: 1.0048524342375773
Energy: 0.987996436986681
Energy: 1.0041468610289959
Energy: 1.1946392642701844
Energy: 1.0198480919709323
Energy: 1.1060357681510755
Energy: 1.195313154620377
Energy: 1.0258983712458194
Energy: 0.9491546136926186
Energy: 1.192178648342394
Energy: 1.0717608915328811
Energy: 1.0706642526318646
Energy: 1.0563121036874696
Energy: 1.0828254692525052
Energy: 1.1665189606368416
Energy: 1.1137595926118762
Energy: 1.0577487449199845
Energy: 0.947986466802485
Energy: 0.941253488505439
Energy: 1.0873277167476416
Energy: 1.0404442842474562
Energy: 1.0629201816933584
Energy: 1.0837894809485933
Energy: 1.0836007540742552
Energy: 1.0634810253489457
Energy: 1.1950596812479537
Energy: 1.08086988826255
Energy: 1.1990097711296415
Energy: 1.145625822577423
Energy: 0.9667857099993925
Energy: 1.1999123751874534
Energy: 1.1015847801048995
Energy: 1.045450247533969
Energy: 1.0849939665010202
Energy: 1.006419979169764
Energy: 1.1430551639631465
Energy: 1.0853228243378013
Energy: 1.0057168042264628
Energy: 1.1434055898125024
Energy: 1.0747316945395466
Energy: 1.0161635053382554
Energy: 1.0163649229760954
Energy: 1.0748727899063086
Energy: 1.081404286844484
Energy: 1.0158999421653365
Energy: 1.1296906517583978
Energy: 0.9891833412882306
Energy: 0.9891097823409513
Energy: 0.9880264394191983
Energy: 0.9879792979848047
Energy: 1.0634145848527785
Energy: 1.0741828128624795
Energy: 0.9878764871558382
Energy: 0.9876777947679761
Energy: 1.074286433051705
Energy: 0.9880732011950502
Energy: 1.0000040765013165
Energy: 1.080681240190942
Energy: 1.0575970568304454
Energy: 1.062639281387605
Energy: 1.0758468951490134
Energy: 1.0528100773676725
Energy: 1.0050547254300917
Energy: 1.1094970912564535
Energy: 1.0210974954101961
Energy: 1.0429647480823414
Energy: 1.0506231205913952
Energy: 0.9861425894775855
Energy: 1.047517365702688
Energy: 1.109301500495258
Energy: 0.9858256583061431
Energy: 0.9853752677444709
Energy: 1.1112723563770377
Energy: 0.9887063966729864
Energy: 0.9851508859503996
Energy: 1.117177957053004
Energy: 1.0435242109738014
Energy: 1.0710596041063147
Energy: 0.9963740295274089
Energy: 0.9866581747871013
Energy: 1.0210416199396994
Energy: 0.9850574710818379
Energy: 1.0409325802254923
Energy: 1.0643240772204898
Energy: 0.9859794288181013
Energy: 1.0120465003522077
Energy: 0.9854822878129486
Energy: 0.9856159248212258
Energy: 1.0344529381652112
Energy: 0.9865079693281008
Energy: 0.9864172281842032
Energy: 1.036506634977348
Energy: 0.9849741411070728
Energy: 0.9313328160064216
Energy: 1.092435418538857
Energy: 1.093646181292004
Energy: 0.9646701545951144
Energy: 1.0778981213553245
Energy: 0.9946493731198185
Energy: 0.9295129683205927
Energy: 0.9850138007160091
Energy: 0.9743545977301042
Energy: 0.928206666933756
Energy: 0.9802252907971412
Energy: 0.9462963323453953
Energy: 0.9987338980056019
Energy: 1.0384733575088287
Energy: 0.9983773041414649
Energy: 0.9997071771318408
Energy: 0.9878407358059441
Energy: 0.9198890740510596
Energy: 1.23808608796169
Energy: 1.0198206430801187
Energy: 0.9900155257198289
Energy: 1.1339431371465458
Energy: 0.9624380145851286
Energy: 1.1182354679804665
Energy: 1.2115941847699419
Energy: 0.9811367834824848
Energy: 1.0190556045508408
Energy: 1.036937688852483
Energy: 1.0188978752676328
Energy: 1.0028791636551837
Energy: 1.1639306734979027
Energy: 0.9809592681472997
Energy: 0.9442660733765883
Energy: 0.9480985255131448
Energy: 0.9811703395248582
Energy: 1.1021193588222082

minimum gb energy = 0.8962067038638392 eV
minimum distance =  2.25699843551347 Angstroms
sigma value = 41


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

Energy: 1.4433020164410524
Energy: 1.2322812683586046
Energy: 1.2335160648853143
Energy: 1.0550405310859148
Energy: 1.1619082680637098
Energy: 1.2349416152397945
Energy: 1.1434669250595302
Energy: 1.119612763887758
Energy: 1.1165443884784585
Energy: 1.1154937235441138
Energy: 1.1186843976225118
Energy: 1.0849254172724927
Energy: 1.273671074279712
Energy: 1.0645981268434088
Energy: 1.0574314550460797
Energy: 1.1154078868532447
Energy: 1.0937402612641134
Energy: 1.1125694050965513
Energy: 1.1144398742453638
Energy: 1.0623597258322424
Energy: 1.0594075339952218
Energy: 1.114590486090797
Energy: 1.083138214499387
Energy: 1.0929054902793514
Energy: 1.0911276651116566
Energy: 1.1158939080289456
Energy: 1.116133834536055
Energy: 1.091241899555754
Energy: 1.1164412744098438
Energy: 1.0631844277078724
Energy: 1.1184713989995283
Energy: 1.12180874349021
Energy: 1.085922077416037
Energy: 1.105328855493392
Energy: 1.1209650408515681
Energy: 1.0601077248873636
Energy: 1.0901306245552744
Energy: 1.064469176944095
Energy: 1.0849907152304161
Energy: 1.0901203240196422
Energy: 1.0647170211323018
Energy: 1.0625547643401416
Energy: 1.0951102258358627
Energy: 1.0624059699693706
Energy: 1.06412994235711
Energy: 1.0965405338705831
Energy: 1.063205594295288
Energy: 1.0909270358775254
Energy: 1.1582182228214424
Energy: 1.0673091123135368
Energy: 1.0617137230494036
Energy: 1.1620241366864816
Energy: 1.1226773864183863
Energy: 1.0597072787044992
Energy: 1.1204570606377824
Energy: 1.0989334699535591
Energy: 1.090662558977765
Energy: 1.1017456259153677
Energy: 1.0925277426993838
Energy: 1.0614755059085048
Energy: 1.2085489670285665
Energy: 1.118740048555491
Energy: 1.062583263068086
Energy: 1.2112143444499386
Energy: 1.0329222407641239
Energy: 1.1728697583137289
Energy: 1.268908980170907
Energy: 1.0335386859372988
Energy: 1.0344070214949994
Energy: 1.2700160227755903
Energy: 1.0333747522408758
Energy: 1.114783849932145
Energy: 1.282045685296601
Energy: 1.0907789035691193
Energy: 1.116478304795143
Energy: 1.1166941194715398
Energy: 1.0909432473807847
Energy: 1.0876340538681422
Energy: 1.0324911512029666
Energy: 1.115950075067588
Energy: 1.0590960997119292
Energy: 1.0413014990771026
Energy: 1.1156030592391395
Energy: 1.0344274207076414

minimum gb energy = 1.0324911512029666 eV
minimum distance =  2.3079332940203 Angstroms
sigma value = 11


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

Energy: 1.825950695233416
Energy: 1.2443781486098617
Energy: 1.2680430959169124
Energy: 1.2683795962907936
Energy: 1.2779340967930655
Energy: 1.2349010869735464
Energy: 1.349666181217135
Energy: 1.2090202017876288
Energy: 1.2097508102102152
Energy: 1.2622502537298865
Energy: 1.2089004346123309
Energy: 1.212723090097218
Energy: 1.4396282598407488
Energy: 1.2490234191548757
Energy: 1.2512985788754987
Energy: 1.441950763215349
Energy: 1.1943377714267018
Energy: 1.2507761274825047
Energy: 1.2741568824305882
Energy: 1.1930225220746244
Energy: 1.2378078581041272
Energy: 1.2138599488450066
Energy: 1.1936370684884177
Energy: 1.2380311751516722
Energy: 1.2470583406019133
Energy: 1.2090425132382367
Energy: 1.2092933663410925
Energy: 1.2310692423756413
Energy: 1.2088700906772645
Energy: 1.2092459158703577
Energy: 1.2730081993265732
Energy: 1.2320426262756747
Energy: 1.2229854600796704
Energy: 1.2100287192397532
Energy: 1.2315459548132988
Energy: 1.2352298819479661
Energy: 1.2309870086471484
Energy: 1.2349263319326251
Energy: 1.2348487534567822
Energy: 1.2309427738472696
Energy: 1.2174153347676104
Energy: 1.2360770182587084
Energy: 1.229559951800876
Energy: 1.2192014289137965
Energy: 1.2107185555585445
Energy: 1.2096936188514227
Energy: 1.2496700127541371
Energy: 1.209871722427373
Energy: 1.2456428723970023
Energy: 1.2653050461141915
Energy: 1.2390752141097705
Energy: 1.2152104030666633
Energy: 1.2115386976866853
Energy: 1.2116637733874793
Energy: 1.2315750629815254
Energy: 1.2649142006557064
Energy: 1.23780222606354
Energy: 1.215526284889132
Energy: 1.2135074300039637
Energy: 1.2000528372793131
Energy: 1.2304028219214682
Energy: 1.2287493857369594
Energy: 1.2105871487106552
Energy: 1.2095430028373035
Energy: 1.2229904373138205
Energy: 1.2101581217786619
Energy: 1.2098386845476086
Energy: 1.240668565027875
Energy: 1.2437079022013933
Energy: 1.2104717557638565
Energy: 1.2483200590027006
Energy: 1.2408631813730249
Energy: 1.2086846954074102
Energy: 1.2463975293000564
Energy: 1.2117302602614872
Energy: 1.2088389651178189
Energy: 1.2560283799228928
Energy: 1.2128785466965106
Energy: 1.2305303510867531
Energy: 1.2895166548718384
Energy: 1.2501297294609774
Energy: 1.2370252492236573
Energy: 1.2124752509162522
Energy: 1.2460560895877169
Energy: 1.195151079151217
Energy: 1.2124590910211717
Energy: 1.2680110301357923
Energy: 1.195389097021612
Energy: 1.2122603505944674
Energy: 1.1961004882794182
Energy: 1.1958951473761974
Energy: 1.2595941052577275
Energy: 1.195495377069248
Energy: 1.1978101596625186
Energy: 1.2116536732657066
Energy: 1.1953680071064632
Energy: 1.1949799264530465
Energy: 1.2370380823449345
Energy: 1.1953955793737554
Energy: 1.1951628412570927
Energy: 1.212579574588323
Energy: 1.2062439658463655
Energy: 1.2536610702607252
Energy: 1.2322203447729598
Energy: 1.2116268314196295
Energy: 1.2204290069910224
Energy: 1.2564388266665731
Energy: 1.2338836770951003
Energy: 1.2264167219077529
Energy: 1.211056178900162
Energy: 1.2113019097194457
Energy: 1.2262952660144426
Energy: 1.210862955873913
Energy: 1.2313960232227665
Energy: 1.2410135927135617
Energy: 1.2514068291076348
Energy: 1.2345927970838366
Energy: 1.2150862630447985
Energy: 1.1972811541948662
Energy: 1.2398592872031127
Energy: 1.315788477214335
Energy: 1.1973516210415907
Energy: 1.2404820849736322
Energy: 1.2127872504346295
Energy: 1.222971760229323
Energy: 1.2322603039546758
Energy: 1.2263992698001513
Energy: 1.2360368838552196
Energy: 1.2323981508648256
Energy: 1.2066274338586853
Energy: 1.2119145851845283
Energy: 1.2313839910396724
Energy: 1.2442212492149363
Energy: 1.2369727353324995
Energy: 1.2400380904851434
Energy: 1.2330898058210127
Energy: 1.2368621260003507
Energy: 1.2467767678489667
Energy: 1.312886913225654
Energy: 1.2262513685597716
Energy: 1.2519363372846666
Energy: 1.2260028738247641
Energy: 1.22612019977671
Energy: 1.2117511979603393
Energy: 1.3101738067554556
Energy: 1.2344208751843881
Energy: 1.2358735765236735
Energy: 1.3119987900073038
Energy: 1.2183766515390262
Energy: 1.2415791464382626
Energy: 1.2983117282305316
Energy: 1.2218228489340177
Energy: 1.2064850781741656
Energy: 1.215494959765645
Energy: 1.1953886194739782
Energy: 1.1954092045451834
Energy: 1.295249937381236
Energy: 1.1950111671661745
Energy: 1.1944457359122052
Energy: 1.2123501392972598
Energy: 1.1985601026891035
Energy: 1.1959641560575094
Energy: 1.2957935039795392
Energy: 1.2163106887436206
Energy: 1.1963187113268812
Energy: 1.2219621253756543
Energy: 1.1956759804479988
Energy: 1.1965191868082043
Energy: 1.3149538781342145
Energy: 1.236949166930904
Energy: 1.2385272120035886
Energy: 1.3141519832601571
Energy: 1.2102558915063575
Energy: 1.2365189496499631
Energy: 1.4231377399696878
Energy: 1.2092311735521002
Energy: 1.2097135213804566
Energy: 1.2365218523445842
Energy: 1.208724833061938
Energy: 1.2348585439663065
Energy: 1.2758790992567495
Energy: 1.2101139288040748
Energy: 1.2429934549672972
Energy: 1.2524737587074788
Energy: 1.211393470113564
Energy: 1.239045543052995

minimum gb energy = 1.1930225220746244 eV
minimum distance =  2.29245489219043 Angstroms
sigma value = 57


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

Energy: 1.6549847184118842
Energy: 1.3646879476580283
Energy: 1.3600978923168177
Energy: 1.3571403000490976
Energy: 1.803327860209927
Energy: 1.3581905264865641
Energy: 1.1685211376730182
Energy: 1.2098499117975028
Energy: 1.203948049914988
Energy: 1.2038585834677233
Energy: 1.2090538616565547
Energy: 1.2068995774212736
Energy: 1.2795228248130983
Energy: 1.236152630380635
Energy: 1.1978316956438704
Energy: 1.2797290291944687
Energy: 1.198538710370652
Energy: 1.2122912341515106
Energy: 1.2022142237817492
Energy: 1.215862596114176
Energy: 1.2026961160115763
Energy: 1.2042150306367643
Energy: 1.1988192273863965
Energy: 1.2037946632138465
Energy: 1.2020511837722179
Energy: 1.211495647768281
Energy: 1.21728365243672
Energy: 1.2031277335301853
Energy: 1.2059756331561133
Energy: 1.2066395079744263
Energy: 1.2037492836491364
Energy: 1.2053973905358464
Energy: 1.20215589407176
Energy: 1.2068300437931951
Energy: 1.2824836563696342
Energy: 1.208794237551622
Energy: 1.2764938528121519
Energy: 1.2374364144275853
Energy: 1.2428076103531176
Energy: 1.2781770749926729
Energy: 1.2297473057809514
Energy: 1.2031509132553977
Energy: 1.3292453194633103
Energy: 1.2140227220515385
Energy: 1.2052314360097298
Energy: 1.2072484369820555
Energy: 1.2028918462579283
Energy: 1.2039324472144637
Energy: 1.171416555134632
Energy: 1.2082326645446135
Energy: 1.2332754656617952
Energy: 1.168822672330074
Energy: 1.2044309559485786
Energy: 1.2404104668487237
Energy: 1.2393955044548124
Energy: 1.2064572048497193
Energy: 1.2337848144040235
Energy: 1.1685967272443631
Energy: 1.203719622355339
Energy: 1.2417390025478707
Energy: 1.328684571837171
Energy: 1.2153373384128272
Energy: 1.2192352903008352
Energy: 1.2077658055385834
Energy: 1.2042412498358666
Energy: 1.2032541898423832
Energy: 1.2612095218274293
Energy: 1.235576146921415
Energy: 1.2119684368720707
Energy: 1.2614716191387263
Energy: 1.234843308964527
Energy: 1.2030055838333509
Energy: 1.20350245930771
Energy: 1.2096042147423411
Energy: 1.2053863070176432
Energy: 1.203166269833295
Energy: 1.204396816176623
Energy: 1.2041397286254263
Energy: 1.2046070393972514
Energy: 1.2784297851444788
Energy: 1.2038530831417724
Energy: 1.2099484920400818
Energy: 1.2801756998610623
Energy: 1.2079726357191558
Energy: 1.2027566553904931
Energy: 1.2277151087014435
Energy: 1.2033954090483245
Energy: 1.202786070702469
Energy: 1.2204001245878309
Energy: 1.2037039516823107
Energy: 1.291634948173371
Energy: 1.2306672416054216
Energy: 1.2373497137600686
Energy: 1.2791666286595933
Energy: 1.222042569687638
Energy: 1.2153827479670032
Energy: 1.1687237604774736
Energy: 1.2089640468682465
Energy: 1.2037009072553275
Energy: 1.1682967776041118
Energy: 1.2031004422728697
Energy: 1.221769535272361

minimum gb energy = 1.1682967776041118 eV
minimum distance =  2.30620886634529 Angstroms
sigma value = 9


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

Energy: 2.015919445160803
Energy: 1.3748369492816812
Energy: 1.2991143640285083
Energy: 1.2747860700058014
Energy: 1.3613162547169266
Energy: 1.4209367123925767
Energy: 1.3199903004246043
Energy: 1.3069239678705733
Energy: 1.285400308318907
Energy: 1.2795347053689052
Energy: 1.2870308100366648
Energy: 1.2841508113348379
Energy: 1.286130796740627
Energy: 1.2779563176932056
Energy: 1.2817334801273392
Energy: 1.2871525305420792
Energy: 1.2772040844318004
Energy: 1.2829774984913074
Energy: 1.2657370875266951
Energy: 1.279726467750085
Energy: 1.3035739512827087
Energy: 1.2660574920775547
Energy: 1.2791210943411604
Energy: 1.2814078160621338
Energy: 1.3348078580357732
Energy: 1.2479329702486766
Energy: 1.2407229094975416
Energy: 1.2412675834941687
Energy: 1.2890203733841765
Energy: 1.2406287154576074
Energy: 1.283313542909285
Energy: 1.2864572747138387
Energy: 1.2835934440414263
Energy: 1.2849955980396828
Energy: 1.2849085258190815
Energy: 1.283195524973244
Energy: 1.2625123216340775
Energy: 1.2828840916571236
Energy: 1.2719018004136124
Energy: 1.2634679791336234
Energy: 1.288197372069356
Energy: 1.2685364893014521
Energy: 1.307790808974708
Energy: 1.279391879053323
Energy: 1.2895644176450571
Energy: 1.2596651828573422
Energy: 1.279927964122303
Energy: 1.2743688945187863
Energy: 1.3445518405191181
Energy: 1.2475794374669582
Energy: 1.2399324833527008
Energy: 1.3018763855151294
Energy: 1.2669650301172952
Energy: 1.2803955688517272
Energy: 1.3091143669329905
Energy: 1.2681182602429573
Energy: 1.2402263602049177
Energy: 1.313632453309444
Energy: 1.2627219505765184
Energy: 1.2403509039589047
Energy: 1.3075990988509996
Energy: 1.270224673487688
Energy: 1.2716730442023565
Energy: 1.2622243551403178
Energy: 1.2888602327204466
Energy: 1.2422726805683304
Energy: 1.3095222202802097
Energy: 1.280844056827598
Energy: 1.2808742110470015
Energy: 1.2862350049208628
Energy: 1.2796280913567941
Energy: 1.2813413589616862
Energy: 1.3469657116931495
Energy: 1.2777931049969486
Energy: 1.2830378263847428
Energy: 1.29483096532702
Energy: 1.2722251322468396
Energy: 1.2811336363882284
Energy: 1.307397690080877
Energy: 1.2778074743301386
Energy: 1.279763689618577
Energy: 1.2953830748380644
Energy: 1.2424659861151395
Energy: 1.2812996276121498
Energy: 1.3081381930131903
Energy: 1.237917141025186
Energy: 1.2385861851216753
Energy: 1.2882465609400988
Energy: 1.2714089943105606
Energy: 1.244183352682619
Energy: 1.286657661311602
Energy: 1.2764201435045073
Energy: 1.2369691214634586
Energy: 1.2879910632250096
Energy: 1.2658855638218216
Energy: 1.237432601910764
Energy: 1.2912791132462962
Energy: 1.3026372508818498
Energy: 1.3103435478564192
Energy: 1.2925431726353827
Energy: 1.2781606185155205
Energy: 1.2809786620310422
Energy: 1.448098632976878
Energy: 1.2642715890583218
Energy: 1.2449394003801975
Energy: 1.2797653142647978
Energy: 1.2907372575858926
Energy: 1.2442855860721598
Energy: 1.2858936126161218
Energy: 1.2806631986521995
Energy: 1.2816267927753926
Energy: 1.2861579842390356
Energy: 1.2655322509854405
Energy: 1.2810778158820706
Energy: 1.2872699962885588
Energy: 1.2805541174005879
Energy: 1.281229278655768
Energy: 1.2642581412495302
Energy: 1.3041400637231395
Energy: 1.2806230806283305
Energy: 1.2898170865825922
Energy: 1.2870194832492152
Energy: 1.2449996003292574
Energy: 1.252301439819528
Energy: 1.291706563847244
Energy: 1.2455818948418327

minimum gb energy = 1.2369691214634586 eV
minimum distance =  2.30276220704357 Angstroms
sigma value = 27


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

Energy: 1.4417496242626822
Energy: 1.2486221927303498
Energy: 1.2405770716242934
Energy: 1.2400388785195404
Energy: 1.938989894964126
Energy: 1.244165497447412
Energy: 1.256806562554412
Energy: 1.2554333562558027
Energy: 1.2619248978316076
Energy: 1.2734069244455235
Energy: 1.257051399354608
Energy: 1.265404212514495
Energy: 1.284557155259561
Energy: 1.2776372140662682
Energy: 1.2789106319338397
Energy: 1.2489357171615687
Energy: 1.2721711675363945
Energy: 1.2692356036727643
Energy: 1.2969688138610123
Energy: 1.2711033256873345
Energy: 1.2738261397826232
Energy: 1.2782467108576856
Energy: 1.275035389125122
Energy: 1.2760791498370052
Energy: 1.273356146392494
Energy: 1.2483920086516649
Energy: 1.253598118128531
Energy: 1.2672071431502487
Energy: 1.2541056472124497
Energy: 1.2524788991148355
Energy: 1.3191044535821117
Energy: 1.2762368570175648
Energy: 1.278591625161004
Energy: 1.291440937399962
Energy: 1.2754831829453421
Energy: 1.2796835730756426
Energy: 1.2791252637590764
Energy: 1.193224957517942
Energy: 1.1988955395163905
Energy: 1.2444766449321067
Energy: 1.1926248570449571
Energy: 1.1960535383169868
Energy: 1.2768792099765713
Energy: 1.2418192041143332
Energy: 1.2535158064213001
Energy: 1.2757508094092058
Energy: 1.250704344897235
Energy: 1.2507592825454066
Energy: 1.2796059339157293
Energy: 1.263319904601803
Energy: 1.2645959821754866
Energy: 1.2614573568928946
Energy: 1.2538831601603455
Energy: 1.251597827733586
Energy: 1.330549499485658
Energy: 1.2753037069027204
Energy: 1.278370360633228
Energy: 1.2731217923136036
Energy: 1.2726716629263886
Energy: 1.2732867273493953
Energy: 1.277550091102046
Energy: 1.2533822311767608
Energy: 1.2531945715682131
Energy: 1.280547434832737
Energy: 1.293295450383005
Energy: 1.252359357088197
Energy: 1.2999141889494576
Energy: 1.2754284905202216
Energy: 1.2750532505873806
Energy: 1.2777345946256127
Energy: 1.276892532470344
Energy: 1.279659306010579
Energy: 1.2397103462712304
Energy: 1.2878748233717885
Energy: 1.1936480693042966
Energy: 1.237723402089954
Energy: 1.285627916634814
Energy: 1.1931115333346403
Energy: 1.2669531130609024
Energy: 1.2851210236953454
Energy: 1.2903522970604298
Energy: 1.2307760191353543
Energy: 1.2854478041583937
Energy: 1.1946905845489795
Energy: 1.3039712884744254
Energy: 1.2798655674108999
Energy: 1.277039010135729
Energy: 1.2773260026672006
Energy: 1.2753145010575604
Energy: 1.278810733869147
Energy: 1.3160131644457806
Energy: 1.2753144947724204
Energy: 1.2771658032794646
Energy: 1.2632449338261282
Energy: 1.2744196595722967
Energy: 1.2769358934883417
Energy: 1.2779203020345524
Energy: 1.2606064386416114
Energy: 1.2586589088085944
Energy: 1.2980813982945847
Energy: 1.284189018465476
Energy: 1.2633244750351897
Energy: 1.33562011833045
Energy: 1.2662202412950903
Energy: 1.2655582939877603
Energy: 1.2502355942047192
Energy: 1.26512627679138
Energy: 1.2666811458085674
Energy: 1.2758374133624022
Energy: 1.1929976677863288
Energy: 1.1939760497202196
Energy: 1.277085158064764
Energy: 1.1960240410430232
Energy: 1.1936907719134384
Energy: 1.2848544699572229
Energy: 1.1931266106370089
Energy: 1.1943510068861034
Energy: 1.250703171073967
Energy: 1.1960522136654026
Energy: 1.1940291930349012
Energy: 1.2865487940889928
Energy: 1.267774553028743
Energy: 1.2682631074168456
Energy: 1.265352559490785
Energy: 1.2666800260138131
Energy: 1.2615979584760104
Energy: 1.2753553245622091
Energy: 1.2525840915147892
Energy: 1.2615297484801853
Energy: 1.274761278480392
Energy: 1.2529602171375218
Energy: 1.2635295255728027
Energy: 1.3004581318209665
Energy: 1.2760685328234076
Energy: 1.2659126791114934
Energy: 1.2808154394151041
Energy: 1.2752758812217109
Energy: 1.262135342685903
Energy: 1.3144614516371673
Energy: 1.2771767905755074
Energy: 1.2744711129957658
Energy: 1.2721145481780733
Energy: 1.2756768532435412
Energy: 1.2736119232428595
Energy: 1.3434194337789622
Energy: 1.326944360859738
Energy: 1.297641349664226
Energy: 1.2664971805018674
Energy: 1.3238040288498276
Energy: 1.2358703617225355

minimum gb energy = 1.1926248570449571 eV
minimum distance =  2.2925307776124 Angstroms
sigma value = 19


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

Energy: 1.3183538866331026
Energy: 1.217173804001828
Energy: 1.2396928227088744
Energy: 1.2622253366176859
Energy: 1.214274796662303
Energy: 1.2397515833190638
Energy: 1.269614607038989
Energy: 1.2475012859681012
Energy: 1.2476561564375692
Energy: 1.2500013542033828
Energy: 1.2469680003987194
Energy: 1.2472460881346188
Energy: 1.282621930614038
Energy: 1.248187959282029
Energy: 1.247940576962453
Energy: 1.258683959918152
Energy: 1.2473824801072908
Energy: 1.248639952382068
Energy: 1.2782292396257509
Energy: 1.2483771188141088
Energy: 1.2498215327463695
Energy: 1.2467094293057692
Energy: 1.2771882163479986
Energy: 1.24865897392813
Energy: 1.281347672378293
Energy: 1.2540617826079437
Energy: 1.2498710986884822
Energy: 1.2626382649980321
Energy: 1.261419164991021
Energy: 1.2508882172276514
Energy: 1.2945162201419627
Energy: 1.3075242882042222
Energy: 1.2473034796613125
Energy: 1.292705386572443
Energy: 1.2416777430777932
Energy: 1.247874462842599
Energy: 1.300195163691255
Energy: 1.2566952333703763
Energy: 1.2541653580469485
Energy: 1.2874800947281757
Energy: 1.2443953697051704
Energy: 1.2515907826799453
Energy: 1.2770051527355373
Energy: 1.2454253612899944
Energy: 1.2471488399748896
Energy: 1.2471676897644839
Energy: 1.244901219988031
Energy: 1.2450040906483213
Energy: 1.2595265156622049
Energy: 1.2462448389783094
Energy: 1.2477065047880993
Energy: 1.2483158574996955
Energy: 1.2525892365635265
Energy: 1.2481025563973673
Energy: 1.259876655591722
Energy: 1.2672929341829942
Energy: 1.2483564958998807
Energy: 1.2475088333907913
Energy: 1.269170011705325
Energy: 1.247142314692771
Energy: 1.2780364693804402
Energy: 1.2314835289736201
Energy: 1.230680107482864
Energy: 1.2774641252331354
Energy: 1.2321963783927337
Energy: 1.2309328289422177
Energy: 1.267934083887176
Energy: 1.2494990471880603
Energy: 1.2292666592420132
Energy: 1.2106497919790222
Energy: 1.2064387107266383
Energy: 1.2172013420756844
Energy: 1.2980198242624652
Energy: 1.253424419818359
Energy: 1.2510993641429589
Energy: 1.2498878233829667
Energy: 1.257624116495685
Energy: 1.2515337420227568
Energy: 1.3346723608709705
Energy: 1.2610063816842403
Energy: 1.2575834877861423
Energy: 1.2344215195427195
Energy: 1.2646655913217615
Energy: 1.2486572059483643
Energy: 1.2677379955095516
Energy: 1.2295616983984454
Energy: 1.229265658930947
Energy: 1.2342342480794797
Energy: 1.2302745806840842
Energy: 1.2187743254318484
Energy: 1.2683830106351803
Energy: 1.2341650287211419
Energy: 1.2294603990958743
Energy: 1.2234207927875702
Energy: 1.229556304210721
Energy: 1.2283375353206116
Energy: 1.273641233687633
Energy: 1.2653978775510442
Energy: 1.2602074636915763
Energy: 1.2321941694598397
Energy: 1.2683321419539155
Energy: 1.2598400060249855
Energy: 1.3093685666831598
Energy: 1.2072852406454002
Energy: 1.2054181115798757
Energy: 1.223446530784349
Energy: 1.2294998550614127
Energy: 1.2287528816705486
Energy: 1.2928693037227168
Energy: 1.2258699093729337
Energy: 1.215766572771655
Energy: 1.261076024582548
Energy: 1.226503553485396
Energy: 1.2230607025119498
Energy: 1.274944207974115
Energy: 1.225395925074853
Energy: 1.226171775757356
Energy: 1.2382526804852043
Energy: 1.2268889963166458
Energy: 1.2230635112355868
Energy: 1.230505333918164
Energy: 1.2198074119854614
Energy: 1.2054075203250978
Energy: 1.233419550837218
Energy: 1.2232435719073658
Energy: 1.2295217658518345
Energy: 1.2301633525193023
Energy: 1.2044771757226194
Energy: 1.217335570504456
Energy: 1.232420859792508
Energy: 1.205123764835171
Energy: 1.2052542232715464
Energy: 1.272567361794383
Energy: 1.258168030042051
Energy: 1.2572902865661564
Energy: 1.274279890929906
Energy: 1.2597555549697133
Energy: 1.242907858490816
Energy: 1.283514584756382
Energy: 1.219468246593903
Energy: 1.229940625247411
Energy: 1.270804912450916
Energy: 1.220682627479755
Energy: 1.2297216408063143
Energy: 1.2981336282857376
Energy: 1.2055339714149114
Energy: 1.2061329498590954
Energy: 1.2499531585749026
Energy: 1.2129593877286802
Energy: 1.2173505122388137
Energy: 1.2834742092970557
Energy: 1.2397361570161058
Energy: 1.2411194340959228
Energy: 1.2461438389653938
Energy: 1.2478617801629266
Energy: 1.2473467973724663
Energy: 1.284752594577658
Energy: 1.2502771183829897
Energy: 1.2490195119524636
Energy: 1.262491150021983
Energy: 1.2484184498214401
Energy: 1.248459914905342
Energy: 1.2823853276339554
Energy: 1.250423384491199
Energy: 1.2491275940014144
Energy: 1.2512945432681701
Energy: 1.247254804477263
Energy: 1.2482851664660337
Energy: 1.307463926453264
Energy: 1.3099864874198237
Energy: 1.311258282488366
Energy: 1.2170169064288445
Energy: 1.3082845669460788
Energy: 1.249890092791114

minimum gb energy = 1.2044771757226194 eV
minimum distance =  2.25085226848344 Angstroms
sigma value = 101


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

Energy: 1.7976363428646507
Energy: 1.2215291980047231
Energy: 1.222324519047097
Energy: 1.1738148121552332
Energy: 1.209962579483451
Energy: 1.1747777503754808
Energy: 1.3330360940556958
Energy: 1.2063736052522367
Energy: 1.201198615517
Energy: 1.1981026421879613
Energy: 1.2022417468847744
Energy: 1.1996260515158337
Energy: 1.2646492989475955
Energy: 1.2005775702291046
Energy: 1.2028371981578214
Energy: 1.205560812903064
Energy: 1.1984666759194385
Energy: 1.2084243069127265
Energy: 1.2515900566750269
Energy: 1.1994308427719607
Energy: 1.199970602115282
Energy: 1.2028562462646122
Energy: 1.191769209376021
Energy: 1.1999393766609205
Energy: 1.217299075793921
Energy: 1.2086753602256437
Energy: 1.2090770298986537
Energy: 1.2191664364495747
Energy: 1.2058420260464278
Energy: 1.2171910985844363
Energy: 1.2281424683899365
Energy: 1.213026313193675
Energy: 1.2133674150174965
Energy: 1.1950726470343154
Energy: 1.2190720690291776
Energy: 1.214423674847574
Energy: 1.2626397480122806
Energy: 1.1941669421411303
Energy: 1.197057506747533
Energy: 1.247333384915332
Energy: 1.1898652077697836
Energy: 1.206625063985854
Energy: 1.2827210076284437
Energy: 1.1986100804697193
Energy: 1.2034531583637216
Energy: 1.2326137516697524
Energy: 1.1937607940175257
Energy: 1.2021477572844292
Energy: 1.1956309122030648
Energy: 1.2041024556047668
Energy: 1.2077164437722239
Energy: 1.1957942844582035
Energy: 1.2016077603274924
Energy: 1.2025853045936252
Energy: 1.1954906526860634
Energy: 1.2022382133560119
Energy: 1.2039109920759703
Energy: 1.1957087379130915
Energy: 1.2393641048723523
Energy: 1.2030672695131872
Energy: 1.2582481545154702
Energy: 1.1767529820676847
Energy: 1.193343596324205
Energy: 1.250548149284448
Energy: 1.1686250855630096
Energy: 1.192665513816467
Energy: 1.265258256300679
Energy: 1.1976818782310086
Energy: 1.2013630948584821
Energy: 1.2048430017035108
Energy: 1.1957216232554984
Energy: 1.204430798093502
Energy: 1.2243891540800471
Energy: 1.2033118535973053
Energy: 1.2036487953211281
Energy: 1.1886935228119835
Energy: 1.2023799777117894
Energy: 1.2075676410615515
Energy: 1.2482157327762458
Energy: 1.2121551354778686
Energy: 1.2067525955953768
Energy: 1.1899093789419515
Energy: 1.2066387141098565
Energy: 1.2046666581984564
Energy: 1.262347956025415
Energy: 1.1978575156176083
Energy: 1.2020227373017545
Energy: 1.2039479357228369
Energy: 1.1949082574834218
Energy: 1.206285915230111
Energy: 1.2632918055988804
Energy: 1.2108615823526065
Energy: 1.2075017013628206
Energy: 1.2050158994216156
Energy: 1.2038911282168139
Energy: 1.2203180770869875
Energy: 1.2240488148891115
Energy: 1.206088629390728
Energy: 1.218304917818603
Energy: 1.1570069680712232
Energy: 1.2374071181884636
Energy: 1.1783614413135537
Energy: 1.336940691516831
Energy: 1.2042961793037048
Energy: 1.2082737477310617
Energy: 1.2149582520290472
Energy: 1.202757165685804
Energy: 1.2220340308024882
Energy: 1.2624079612963601
Energy: 1.198422479792399
Energy: 1.20513923447619
Energy: 1.2034993674507561
Energy: 1.194009494689365
Energy: 1.2092837615650849
Energy: 1.2480101587382386
Energy: 1.1979975242210301
Energy: 1.199292932129845
Energy: 1.2024066858414055
Energy: 1.194447356978667
Energy: 1.2012295897641074
Energy: 1.2211956985277732
Energy: 1.2038219672255543
Energy: 1.2059926546313642
Energy: 1.2223020988231543
Energy: 1.2050714848712003
Energy: 1.216034626848019
Energy: 1.2484396966025841
Energy: 1.2012946174479135
Energy: 1.2009544708982165
Energy: 1.2173244542093997
Energy: 1.20378128901065
Energy: 1.2009182551961317
Energy: 1.2388307053103564
Energy: 1.1899333412084363
Energy: 1.1921957251414226
Energy: 1.2259736661316554
Energy: 1.1891390379407554
Energy: 1.19434077955212
Energy: 1.241804829159146
Energy: 1.194719604218758
Energy: 1.192861016549745
Energy: 1.2035032591817507
Energy: 1.193726328022015
Energy: 1.227656971911238
Energy: 1.2089374933063939
Energy: 1.2079607667897256
Energy: 1.2016207981362605
Energy: 1.2039324779094576
Energy: 1.2028827159249174
Energy: 1.199782701234465
Energy: 1.19605917912651
Energy: 1.2066786716368167
Energy: 1.2057683754651163
Energy: 1.1969984152771513
Energy: 1.2120140697601458
Energy: 1.2028905017057645
Energy: 1.2070113987688411
Energy: 1.1748455213409326
Energy: 1.1802088165715754
Energy: 1.180274161622058
Energy: 1.1633240361317352
Energy: 1.1830171020985636
Energy: 1.2647855307361933
Energy: 1.1659879290352604
Energy: 1.1747829965755137
Energy: 1.206948471621137
Energy: 1.1689547164295333
Energy: 1.2063402504439922
Energy: 1.2232337969423404
Energy: 1.205546184681567
Energy: 1.2100835657759934
Energy: 1.1886380485756465
Energy: 1.2093906311918234
Energy: 1.2064301614499482
Energy: 1.2267681716068757
Energy: 1.1890577820605082
Energy: 1.228740196595139
Energy: 1.1897218893673236
Energy: 1.1839568800176707
Energy: 1.2022369451157318
Energy: 1.2644482996203925
Energy: 1.1963135328698373
Energy: 1.2021698063795114
Energy: 1.2046683481561467
Energy: 1.1954283265568046
Energy: 1.2045965098088889
Energy: 1.2626990002268534
Energy: 1.2015602613079979
Energy: 1.2003178409496538
Energy: 1.2034688204088542
Energy: 1.203111510104865
Energy: 1.201707725372357
Energy: 1.225881392430447
Energy: 1.1942376261745375
Energy: 1.2101661705423497
Energy: 1.1584032814246794
Energy: 1.193941256790138
Energy: 1.175340212407356

minimum gb energy = 1.1570069680712232 eV
minimum distance =  2.26264328018324 Angstroms
sigma value = 33


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

Energy: 0.02038982653070377
Energy: 0.02136721561899216
Energy: 0.0211595174299154
Energy: 0.02294994112155606
Energy: 1.098601048710996
Energy: 0.020907704889459935
Energy: 0.020957222259303868
Energy: 0.17727812795245484
Energy: 0.17462783189821296
Energy: 0.17373441975910558
Energy: 0.17762121674796144
Energy: 0.17431697838113594
Energy: 1.5266777296841532
Energy: 1.0997238375198315
Energy: 1.096238124516892
Energy: 1.0938645053279787
Energy: 1.0971414983793801
Energy: 1.0968591781819552
Energy: 0.6001524353990613
Energy: 0.17727812795292155
Energy: 0.17462783189821296
Energy: 0.1737344197586389
Energy: 0.17762121674796144
Energy: 0.17431697838113594

minimum gb energy = 0.02038982653070377 eV
minimum distance =  2.46026935301302 Angstroms
sigma value = 1